| 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 | 40.6 | Very low | 41.6 | Very low | 235 Ų | 235 | 142.2 Ų | 142.2 | 100% | 1.158 | 81% | 0.813 | S | S | * | * | 0 | 143.4 | 0 | -74 | 178 | 172.1 | 0 | 0 | 108.4 | |||||
| 2 | S | 36.3 | Very low | 41.5 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 47.8 | 121.9 | 144.9 | -51.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 3 | V | 39.1 | Very low | 42 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 79% | 0.788 | 81% | 0.805 | S | S | * | * | trans | 68.1 | 116.9 | 142.1 | -177 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 4 | A | 40.7 | Very low | 42.2 | Very low | 86 Ų | 86 | 144.1 Ų | 144.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | cis | 95.9 | 162.8 | 25.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 5 | L | 42.4 | Very low | 42.9 | Very low | 161 Ų | 161 | 146.9 Ų | 146.9 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | 75 | 124.5 | -170.7 | -45.7 | 177.2 | 0 | 0 | 0 | 112.6 | ||||
| 6 | A | 40.5 | Very low | 43.2 | Very low | 80 Ų | 80 | 146.8 Ų | 146.8 | 66% | 0.661 | 81% | 0.806 | S | S | * | * | cis | 78.1 | 115 | 29.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 7 | D | 44.1 | Very low | 44 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | 174.9 | 136.8 | 124.7 | -84.8 | -16.8 | 0 | 0 | 0 | 110.9 | |||||
| 8 | E | 42.6 | Very low | 44.7 | Very low | 197 Ų | 197 | 148.1 Ų | 148.1 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | -98.2 | 141.2 | 164.2 | -82.9 | -169 | 129.2 | 0 | 0 | 110.1 | ||||
| 9 | P | 49.2 | Very low | 44.7 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | trans | -108.2 | 111.6 | 160.5 | 33.7 | -23.4 | 0 | 0 | 0 | 111.5 | ||||
| 10 | L | 38.8 | Very low | 45.1 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -62.7 | 134.4 | 164.8 | 177.9 | 70.7 | 0 | 0 | 0 | 110.2 | ||||
| 11 | I | 43.5 | Very low | 45.1 | Very low | 141 Ų | 141 | 145 Ų | 145 | 72% | 0.723 | 80% | 0.797 | S | S | * | * | trans | -135.8 | 103.1 | 168.6 | -57.7 | -179.9 | 0 | 0 | 0 | 108.5 | ||||
| 12 | D | 39.6 | Very low | 45.3 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -75.4 | 130.8 | 158.2 | -69.6 | -52.1 | 0 | 0 | 0 | 109 | ||||
| 13 | L | 48.8 | Very low | 45.7 | Very low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -150.2 | 110.2 | 151.3 | -78.9 | -174.8 | 0 | 0 | 0 | 108.1 | ||||
| 14 | E | 44.1 | Very low | 45.9 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -67.3 | 144.5 | 153.4 | -58.4 | 106.6 | 136.1 | 0 | 0 | 110 | ||||
| 15 | E | 52.8 | Low | 46.1 | Very low | 185 Ų | 185 | 144.6 Ų | 144.6 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 171.7 | 138.3 | 135.5 | -94.1 | 167.1 | -173.8 | 0 | 0 | 110.8 | ||||
| 16 | D | 48.3 | Very low | 46.3 | Very low | 146 Ų | 146 | 144.7 Ų | 144.7 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 23 | 122.5 | 162.3 | -57.7 | -16.1 | 0 | 0 | 0 | 122 | ||||
| 17 | L | 57.3 | Low | 46.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | -179.7 | 113.2 | 107.7 | -86.3 | 166.9 | 0 | 0 | 0 | 106.8 | |||||
| 18 | E | 56.3 | Low | 46.5 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 62.6 | 123.4 | 67.1 | -166 | -171.2 | -133.8 | 0 | 0 | 111.5 | |||||
| 19 | D | 44.3 | Very low | 46.6 | Very low | 145 Ų | 145 | 145.2 Ų | 145.2 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -161 | 162.9 | -15.8 | -176.3 | 15.3 | 0 | 0 | 0 | 106.4 | ||||
| 20 | G | 52 | Low | 46.2 | Very low | 72 Ų | 72 | 146 Ų | 146 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | trans | 169.8 | 47.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 21 | E | 46.5 | Very low | 46.3 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -48.3 | 157.6 | 150.8 | -76 | -167.2 | 148.1 | 0 | 0 | 112.3 | ||||
| 22 | I | 45 | Very low | 45.8 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | cis | -163.2 | 161.7 | 9.7 | -126.9 | 171.2 | 0 | 0 | 0 | 113.9 | ||||
| 23 | D | 43.7 | Very low | 45.7 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | 26.7 | 162.7 | 151.7 | -48.3 | -23 | 0 | 0 | 0 | 126.6 | ||||
| 24 | D | 44.4 | Very low | 45.1 | Very low | 142 Ų | 142 | 145.8 Ų | 145.8 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -59.3 | 153.6 | 166.1 | -49.5 | -83.1 | 0 | 0 | 0 | 114.4 | ||||
| 25 | D | 44.9 | Very low | 44.7 | Very low | 155 Ų | 155 | 145.2 Ų | 145.2 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | 175.4 | 162.9 | 108.1 | -98.2 | -27.8 | 0 | 0 | 0 | 116.1 | |||||
| 26 | E | 46.3 | Very low | 43.8 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | trans | -7 | 129.4 | 173.3 | -60.2 | -176.5 | 146.4 | 0 | 0 | 125.1 | ||||
| 27 | E | 45.9 | Very low | 43.3 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 75% | 0.75 | S | S | * | * | 69.9 | 153.7 | 128.5 | -58.4 | -164.1 | 142.9 | 0 | 0 | 125.7 | |||||
| 28 | D | 42 | Very low | 42.4 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 74.3 | 110.2 | 157.2 | -71.2 | -8.4 | 0 | 0 | 0 | 126.8 | ||||
| 29 | E | 44.5 | Very low | 41.5 | Very low | 145 Ų | 145 | 144.9 Ų | 144.9 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | 72 | 118.9 | 122.8 | -65.1 | -113 | 85.8 | 0 | 0 | 124.6 | |||||
| 30 | Q | 41.7 | Very low | 41.3 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 61% | 0.607 | 76% | 0.756 | S | S | * | * | 88.1 | 128.3 | 129.6 | -72.2 | -171.2 | 40.4 | 0 | 0 | 125.8 | |||||
| 31 | Q | 39.8 | Very low | 40.3 | Very low | 155 Ų | 155 | 149.2 Ų | 149.2 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | 69.7 | 88.2 | 134.7 | -64.3 | -167.5 | 44.6 | 0 | 0 | 123.7 | ||||
| 32 | S | 34.5 | Very low | 40 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | 41.9 | 120 | 118.3 | 65 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 33 | S | 36.9 | Very low | 39.6 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 178.6 | 128.3 | 117.4 | 43.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 34 | K | 35.4 | Very low | 39.6 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | 76.9 | 105.8 | 68.4 | -131.4 | -178.3 | -164.3 | 173 | 0 | 115.2 | |||||
| 35 | I | 35.3 | Very low | 39.2 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 80% | 0.795 | 76% | 0.761 | S | S | * | * | trans | 165.9 | 98.1 | 148.4 | -88.2 | 152.6 | 0 | 0 | 0 | 107.1 | ||||
| 36 | Q | 34.8 | Very low | 39.2 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | 56.1 | 124.6 | 96.1 | -66.8 | -169.7 | 19.2 | 0 | 0 | 116.7 | |||||
| 37 | V | 37.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | -176.7 | 115.5 | 116.5 | 143.3 | 0 | 0 | 0 | 0 | 113 | |||||
| 38 | Q | 39.4 | Very low | 38.8 | Very low | 175 Ų | 175 | 146 Ų | 146 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 57.9 | 162.5 | 145.5 | -59.9 | 176.6 | 43.9 | 0 | 0 | 122.6 | ||||
| 39 | K | 37.1 | Very low | 38.7 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 78% | 0.778 | 77% | 0.771 | S | S | * | * | cis | 176.3 | 116.8 | -37.1 | 174.4 | 179.5 | 179.5 | 178.7 | 0 | 109.2 | ||||
| 40 | K | 40.1 | Very low | 37.9 | Very low | 202 Ų | 202 | 149.4 Ų | 149.4 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -157.2 | 142.8 | 142.1 | -151 | 163.3 | -176.3 | 178.8 | 0 | 112.7 | ||||
| 41 | T | 31.5 | Very low | 37.9 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 64% | 0.644 | 79% | 0.788 | S | S | * | * | trans | -121.8 | 158.4 | 179.8 | 48.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 42 | F | 38.7 | Very low | 37.4 | Very low | 201 Ų | 201 | 144.6 Ų | 144.6 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | trans | -143.7 | 155.2 | 142.2 | -132.6 | -91.1 | 0 | 0 | 0 | 109.7 | ||||
| 43 | V | 36.3 | Very low | 37.6 | Very low | 110 Ų | 110 | 146 Ų | 146 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | -133.5 | 149.8 | -171.8 | 176.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 44 | G | 44.1 | Very low | 37.4 | Very low | 76 Ų | 76 | 148.9 Ų | 148.9 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | -159.6 | 99.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 45 | D | 36 | Very low | 37.1 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -75.7 | 149.6 | 163.4 | -53.6 | -79.4 | 0 | 0 | 0 | 109.3 | ||||
| 46 | D | 45.2 | Very low | 37.1 | Very low | 169 Ų | 169 | 145.2 Ų | 145.2 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -150.2 | 113.8 | 158.6 | -103.1 | -43.7 | 0 | 0 | 0 | 109.2 | ||||
| 47 | D | 40.8 | Very low | 36.9 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 129.2 | -179.6 | -79.2 | -72.2 | 0 | 0 | 0 | 112.2 | ||||
| 48 | V | 42.5 | Very low | 36.9 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -145.2 | 96.2 | 154 | -127.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 49 | Q | 40.3 | Very low | 36.4 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 64.1 | 81.6 | 61.1 | -157.3 | 167.2 | 81.7 | 0 | 0 | 110.9 | |||||
| 50 | F | 28.9 | Very low | 36.6 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | 67.8 | 97.4 | 85.9 | -161.1 | -73.9 | 0 | 0 | 0 | 113 | |||||
| 51 | V | 40.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -133.2 | 102.1 | 157.7 | -178.3 | 0 | 0 | 0 | 0 | 108 | V53 | V51-V53 HydrophobicContact CG1-CG2 4.34Š| ||
| 52 | G | 30.4 | Very low | 37.2 | Very low | 48 Ų | 48 | 143.3 Ų | 143.3 | 50% | 0.495 | 78% | 0.776 | S | S | . | * | trans | -92.8 | 146.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 53 | V | 37.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -135.5 | 96.7 | 164.6 | -177.8 | 0 | 0 | 0 | 0 | 105.3 | V51 | V51-V53 HydrophobicContact CG1-CG2 4.34Š| ||
| 54 | E | 32.9 | Very low | 37.5 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | 66.2 | 79.2 | 69.8 | -62.4 | -147.1 | 145.5 | 0 | 0 | 115.1 | |||||
| 55 | A | 30.5 | Very low | 37.2 | Very low | 88 Ų | 88 | 142.2 Ų | 142.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 42.4 | 104.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 56 | K | 35.5 | Very low | 36.9 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | -160.6 | 139.2 | 128.8 | -88.8 | 125 | -168 | 166.1 | 0 | 107.3 | |||||
| 57 | N | 29.2 | Very low | 36.7 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 76% | 0.761 | S | S | * | * | cis | 77.2 | 65.9 | 19.5 | -138.6 | 13.1 | 0 | 0 | 0 | 114.9 | ||||
| 58 | Q | 37.6 | Very low | 36.4 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | -146.4 | 131.1 | 147.1 | -94.9 | 120.7 | 88 | 0 | 0 | 103.9 | ||||
| 59 | N | 29 | Very low | 36.2 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | cis | 73.7 | 157.5 | 45.8 | -73 | 20.9 | 0 | 0 | 0 | 114.2 | ||||
| 60 | D | 41.1 | Very low | 35.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 73% | 0.731 | S | S | * | * | trans | 78.6 | 103.6 | 179.8 | -40.8 | -16.1 | 0 | 0 | 0 | 111.1 | ||||
| 61 | D | 37 | Very low | 36 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 82% | 0.824 | 73% | 0.727 | S | S | * | * | 71.8 | 149.1 | 69.2 | -67.6 | -53.8 | 0 | 0 | 0 | 112.9 | |||||
| 62 | E | 47.9 | Very low | 35.5 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | cis | -89.4 | -165.1 | -9.7 | -58 | -177.8 | 112.8 | 0 | 0 | 109.6 | ||||
| 63 | D | 47 | Very low | 35.6 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | cis | -147.2 | 162.1 | 6 | 166.7 | 50.8 | 0 | 0 | 0 | 109.6 | ||||
| 64 | V | 34.5 | Very low | 35.3 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -141.7 | 116.5 | 174 | 172.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 65 | V | 37.8 | Very low | 35.1 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -106.3 | 73.5 | 163.5 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | V67 | V65-V67 HydrophobicContact CG1-CG2 4.02Š| ||
| 66 | Y | 28.9 | Very low | 35.1 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -80.3 | 124.5 | 164.9 | 170.9 | -90.4 | 0 | 0 | 0 | 109.8 | ||||
| 67 | V | 41.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | -127 | 81.2 | 172.7 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | V65 | V65-V67 HydrophobicContact CG1-CG2 4.02Š| ||
| 68 | G | 34.9 | Very low | 35.3 | Very low | 39 Ų | 39 | 131.8 Ų | 131.8 | 40% | 0.402 | 74% | 0.737 | S | S | . | * | trans | -96 | 139.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | P | 38.8 | Very low | 35 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | trans | -111.7 | 135 | 139.9 | -7.5 | 27.5 | 0 | 0 | 0 | 110.1 | ||||
| 70 | S | 34 | Very low | 35.3 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | 63.9 | 90.1 | 83.6 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 71 | T | 30.1 | Very low | 35.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 74% | 0.74 | S | S | * | * | 77.1 | 151.6 | 88.3 | 63.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 72 | D | 30.1 | Very low | 35 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | trans | 86.6 | 126.6 | 160.3 | -54.8 | -62.5 | 0 | 0 | 0 | 121.4 | ||||
| 73 | A | 32.4 | Very low | 34.5 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | 80.8 | 112.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 74 | V | 32 | Very low | 34 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | 64.8 | 131 | 126.7 | -178.9 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 75 | C | 28.1 | Very low | 34.5 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | cis | -153.6 | 129.6 | 22.1 | -132.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 76 | L | 30.9 | Very low | 34.6 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | 63.7 | 145.3 | 97 | -79.4 | 168.1 | 0 | 0 | 0 | 119.5 | |||||
| 77 | Q | 38.2 | Very low | 35.2 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | 81.6 | 135.9 | 168.9 | -55.2 | -163.1 | 23.4 | 0 | 0 | 117.7 | ||||
| 78 | N | 30.3 | Very low | 35.6 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | cis | -151.5 | 145.5 | -14.2 | -168.9 | 12.3 | 0 | 0 | 0 | 112.5 | ||||
| 79 | S | 31.9 | Very low | 36.5 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -49 | 151.3 | 179.1 | -39.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 80 | N | 34.3 | Very low | 37.4 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | -175.2 | 146.7 | 94.7 | -101.6 | -56.1 | 0 | 0 | 0 | 118.8 | |||||
| 81 | S | 36.8 | Very low | 38.8 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 63.5 | 92.8 | 150 | -175.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 82 | T | 34.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 143 Ų | 143 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | trans | -83.8 | 148.8 | 161.3 | 51.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 83 | K | 37.2 | Very low | 42.8 | Very low | 196 Ų | 196 | 142.5 Ų | 142.5 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -166.6 | 100.2 | 148 | -114.4 | 163.9 | -173.4 | 172.1 | 0 | 114.1 | ||||
| 84 | S | 37.5 | Very low | 44.9 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 31.8 | 109.1 | 146.1 | 60 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 85 | K | 44.3 | Very low | 47.2 | Very low | 207 Ų | 207 | 139.5 Ų | 139.5 | 90% | 0.9 | 74% | 0.741 | S | S | * | * | trans | -131 | 152.7 | 153.8 | -85.2 | 175.7 | -179.2 | 161.6 | 0 | 109.7 | ||||
| 86 | K | 39.9 | Very low | 49.7 | Very low | 197 Ų | 197 | 138.1 Ų | 138.1 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 148.8 | -178.4 | -66.4 | 176 | 176.7 | -175.5 | 0 | 111.3 | ||
| 87 | P | 40.7 | Very low | 52.3 | Low | 128 Ų | 128 | 134 Ų | 134 | 83% | 0.831 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 153.6 | -178.6 | 26.8 | -35.5 | 0 | 0 | 0 | 111.3 | ||
| 88 | R | 50.2 | Low | 54.3 | Low | 199 Ų | 199 | 129 Ų | 129 | 75% | 0.751 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 158.3 | 162 | -54.1 | -175.3 | -162.7 | 175.7 | 11 | 107.8 | ||
| 89 | P | 54.7 | Low | 56.7 | Low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -50 | 142.6 | 156.5 | -22.1 | 34.2 | 0 | 0 | 0 | 109.5 | E91 | P89-E91 PolarHBondContact O-N 2.98Š|
| 90 | L | 57 | Low | 59.3 | Low | 171 Ų | 171 | 130.3 Ų | 130.3 | 90% | 0.895 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 123.4 | 174.5 | -160 | 71.5 | 0 | 0 | 0 | 107.5 | D92 | L90-D92 PolarHBondContact O-N 3.41Š|
| 91 | E | 63.6 | Low | 61.7 | Low | 147 Ų | 147 | 125.7 Ų | 125.7 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117.2 | 172.7 | -72.4 | 163.7 | 136.6 | 0 | 0 | 105.6 | P89 D93 | P89-E91 PolarHBondContact O-N 2.98Å; E91-D93 PolarHBondContact O-N 3.23Å; E91-D93 VanDerWaalsContact O-N 3.11Å |
| 92 | D | 67 | Low | 63.7 | Low | 88 Ų | 88 | 125 Ų | 125 | 47% | 0.471 | 66% | 0.66 | S | S | . | * | trans | -76.5 | 101.6 | -170 | -178 | 23.6 | 0 | 0 | 0 | 111.8 | L90 H94 A95 S96 | L90-D92 PolarHBondContact O-N 3.41Å; D92-H94 PolarHBondContact O-N 3.37Å; D92-H94 VanDerWaalsContact OD1-CB 3.23Å; D92-H94 WeakPolarHBondContact OD1-CB 3.48Å; D92-H94 PolarHBondContact OD1-N 3.07Å; D92-A95 HydrophobicContact CB-CB 4.14Å; D92-A95 PolarHBondContact O-N 2.9Å; D92-A95 VanDerWaalsContact OD2-CB 3.3Å; D92-A95 WeakPolarHBondContact OD2-CB 3.29Å; D92-A95 PolarHBondContact OD2-N 3.37Å; D92-S96 PolarHBondContact O-N 3.14Å; D92-S96 PolarHBondContact O-OG 3.31Å | ||
| 93 | D | 77.6 | Confident | 66 | Low | 137 Ų | 137 | 120.4 Ų | 120.4 | 73% | 0.733 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -60.8 | -25.6 | 173.7 | -71.7 | -43.3 | 0 | 0 | 0 | 111.7 | E91 S97 | E91-D93 PolarHBondContact O-N 3.23Å; E91-D93 VanDerWaalsContact O-N 3.11Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.97Å |
| 94 | H | 76.1 | Confident | 68.2 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.2 | -47.7 | 177.7 | -168.6 | -131.1 | 0 | 0 | 0 | 111.8 | D92 S96 S97 I98 | D92-H94 PolarHBondContact O-N 3.37Å; D92-H94 VanDerWaalsContact OD1-CB 3.23Å; D92-H94 WeakPolarHBondContact OD1-CB 3.48Å; D92-H94 PolarHBondContact OD1-N 3.07Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.09Å; H94-S97 CarbonylContact O-C 3.37Å; H94-S97 WeakPolarHBondContact O-CA 3.39Å; H94-S97 WeakPolarHBondContact O-CB 3.5Å; H94-S97 PolarHBondContact O-N 2.94Å; H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.11Å |
| 95 | A | 79.3 | Confident | 70.1 | Confident | 41 Ų | 41 | 111.6 Ų | 111.6 | 34% | 0.339 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -54.8 | -42.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D92 S97 I98 E99 | D92-A95 HydrophobicContact CB-CB 4.14Å; D92-A95 PolarHBondContact O-N 2.9Å; D92-A95 VanDerWaalsContact OD2-CB 3.3Å; D92-A95 WeakPolarHBondContact OD2-CB 3.29Å; D92-A95 PolarHBondContact OD2-N 3.37Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.48Å; A95-I98 PolarHBondContact O-N 2.97Å; A95-E99 PolarHBondContact O-N 3.02Å |
| 96 | S | 82.3 | Confident | 71.5 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 51% | 0.51 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -36.7 | 176 | -58.5 | 0 | 0 | 0 | 0 | 112.6 | D92 H94 L100 | D92-S96 PolarHBondContact O-N 3.14Å; D92-S96 PolarHBondContact O-OG 3.31Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.09Å; S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 VanDerWaalsContact O-N 3.14Å |
| 97 | S | 84.1 | Confident | 73.1 | Confident | 70 Ų | 70 | 105.4 Ų | 105.4 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | 173.2 | -172.6 | 0 | 0 | 0 | 0 | 112.1 | D93 H94 A95 L100 A101 | D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.97Å; H94-S97 CarbonylContact O-C 3.37Å; H94-S97 WeakPolarHBondContact O-CA 3.39Å; H94-S97 WeakPolarHBondContact O-CB 3.5Å; H94-S97 PolarHBondContact O-N 2.94Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.48Å; S97-L100 PolarHBondContact O-N 3.21Å; S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.44Å; S97-A101 PolarHBondContact O-N 2.73Å |
| 98 | I | 81.1 | Confident | 74.6 | Confident | 78 Ų | 78 | 108.3 Ų | 108.3 | 40% | 0.4 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64 | -46.9 | 176.1 | -70.2 | 166.7 | 0 | 0 | 0 | 110.8 | H94 A95 L100 A101 I102 | H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.11Å; A95-I98 PolarHBondContact O-N 2.97Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.24Å; I98-A101 PolarHBondContact O-N 3Å; I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.42Å |
| 99 | E | 80.8 | Confident | 75.2 | Confident | 149 Ų | 149 | 107.2 Ų | 107.2 | 70% | 0.696 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.7 | -42.8 | 174.7 | -75.5 | -170.6 | -175.4 | 0 | 0 | 111.5 | A95 A103 | A95-E99 PolarHBondContact O-N 3.02Å; E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 2.85Å |
| 100 | L | 86.5 | Confident | 75.1 | Confident | 105 Ų | 105 | 105.1 Ų | 105.1 | 55% | 0.55 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.5 | -38.2 | 177.3 | -171.7 | 63.5 | 0 | 0 | 0 | 112.4 | S96 S97 I98 N104 | S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 VanDerWaalsContact O-N 3.14Å; S97-L100 PolarHBondContact O-N 3.21Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.24Å; L100-N104 WeakPolarHBondContact O-CB 3.35Å; L100-N104 PolarHBondContact O-N 3.03Å; L100-N104 PolarHBondContact O-ND2 3.16Å; L100-N104 VanDerWaalsContact O-ND2 3.15Å |
| 101 | A | 84.1 | Confident | 75 | Confident | 56 Ų | 56 | 104.2 Ų | 104.2 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.4 | -44.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S97 I98 N104 A105 | S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.44Å; S97-A101 PolarHBondContact O-N 2.73Å; I98-A101 PolarHBondContact O-N 3Å; A101-N104 CarbonylContact O-C 3.59Å; A101-N104 PolarHBondContact O-N 3.38Å; A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 3.47Å |
| 102 | I | 79.6 | Confident | 74.4 | Confident | 96 Ų | 96 | 104.2 Ų | 104.2 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -46.2 | 173.8 | -69.3 | 170.6 | 0 | 0 | 0 | 110.1 | I98 N104 A105 L106 | I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.42Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 2.94Å; I102-A105 PolarHBondContact O-N 3.43Å; I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 2.96Å |
| 103 | A | 81.6 | Confident | 74 | Confident | 37 Ų | 37 | 104.7 Ų | 104.7 | 31% | 0.306 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.1 | -33.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | E99 K107 | E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 2.85Å; A103-K107 WeakPolarHBondContact O-CD 3.27Å; A103-K107 WeakPolarHBondContact O-CE 3.46Å; A103-K107 WeakPolarHBondContact O-CG 3.13Å; A103-K107 PolarHBondContact O-N 3.43Å |
| 104 | N | 83.9 | Confident | 73.1 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -82.3 | -29.3 | 176.5 | -69.5 | -24.1 | 0 | 0 | 0 | 113.1 | L100 A101 I102 K107 K108 | L100-N104 WeakPolarHBondContact O-CB 3.35Å; L100-N104 PolarHBondContact O-N 3.03Å; L100-N104 PolarHBondContact O-ND2 3.16Å; L100-N104 VanDerWaalsContact O-ND2 3.15Å; A101-N104 CarbonylContact O-C 3.59Å; A101-N104 PolarHBondContact O-N 3.38Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 2.94Å; N104-K107 PolarHBondContact OD1-NZ 3.32Å; N104-K107 VanDerWaalsContact OD1-NZ 3.12Å; N104-K108 PolarHBondContact O-N 3.01Å |
| 105 | A | 78.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 104.9 Ų | 104.9 | 42% | 0.421 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -69.3 | -41.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A101 I102 K108 K109 | A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 3.47Å; I102-A105 PolarHBondContact O-N 3.43Å; A105-K108 PolarHBondContact O-N 2.83Å; A105-K108 VanDerWaalsContact O-N 3.11Å; A105-K109 PolarHBondContact O-N 3.11Å |
| 106 | L | 73.2 | Confident | 70.9 | Confident | 122 Ų | 122 | 108.8 Ų | 108.8 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.6 | -45.3 | 171.9 | -74.6 | 164.7 | 0 | 0 | 0 | 111.3 | I102 K108 K109 | I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 2.96Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 3.01Å; L106-K109 PolarHBondContact O-N 3.4Å |
| 107 | K | 74.4 | Confident | 69 | Low | 153 Ų | 153 | 116.5 Ų | 116.5 | 67% | 0.665 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -62.1 | -29.5 | 172.9 | -69.9 | 166.2 | -160.3 | 162.4 | 0 | 113.6 | A103 N104 | A103-K107 WeakPolarHBondContact O-CD 3.27Å; A103-K107 WeakPolarHBondContact O-CE 3.46Å; A103-K107 WeakPolarHBondContact O-CG 3.13Å; A103-K107 PolarHBondContact O-N 3.43Å; N104-K107 PolarHBondContact OD1-NZ 3.32Å; N104-K107 VanDerWaalsContact OD1-NZ 3.12Å |
| 108 | K | 72.2 | Confident | 66.8 | Low | 189 Ų | 189 | 121.7 Ų | 121.7 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.9 | -23.8 | 178.4 | -84.8 | -172.5 | 173.3 | -175.2 | 0 | 114.5 | N104 A105 L106 | N104-K108 PolarHBondContact O-N 3.01Å; A105-K108 PolarHBondContact O-N 2.83Å; A105-K108 VanDerWaalsContact O-N 3.11Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 3.01Å |
| 109 | K | 62.2 | Low | 65 | Low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.765 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -90.4 | 4.7 | -175.5 | -76.2 | -165.4 | 173.9 | -174.3 | 0 | 115.6 | A105 L106 I111 | A105-K109 PolarHBondContact O-N 3.11Å; L106-K109 PolarHBondContact O-N 3.4Å; K109-I111 PolarHBondContact O-N 3.43Å |
| 110 | G | 53.1 | Low | 62.7 | Low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 67% | 0.674 | S | S | * | * | trans | 68.1 | 3.2 | 163 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 111 | I | 54.2 | Low | 60.5 | Low | 151 Ų | 151 | 128.7 Ų | 128.7 | 77% | 0.774 | 69% | 0.687 | S | S | * | * | trans | -104.5 | 83.6 | 178.9 | -59.8 | 167.6 | 0 | 0 | 0 | 107.9 | K109 P113 | K109-I111 PolarHBondContact O-N 3.43Å; I111-P113 WeakPolarHBondContact O-CD 3.15Å | ||
| 112 | E | 51.7 | Low | 58.1 | Low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -87.3 | 113.3 | 176.5 | -174.7 | 176.1 | -167.9 | 0 | 0 | 110.2 | ||||
| 113 | P | 57.8 | Low | 56.3 | Low | 99 Ų | 99 | 136.9 Ų | 136.9 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | -66.4 | 136 | 168.3 | 28.6 | -33.1 | 0 | 0 | 0 | 109.1 | I111 M115 | I111-P113 WeakPolarHBondContact O-CD 3.15Å; P113-M115 PolarHBondContact O-N 2.9Å | ||
| 114 | P | 59.4 | Low | 54.2 | Low | 127 Ų | 127 | 141.9 Ų | 141.9 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | -68.3 | 99.5 | -164 | 25.8 | -35.4 | 0 | 0 | 0 | 112.8 | ||||
| 115 | M | 48.9 | Very low | 52 | Low | 138 Ų | 138 | 144.2 Ų | 144.2 | 68% | 0.68 | 76% | 0.757 | S | S | * | * | trans | -64.5 | 135.8 | 174.8 | -77.1 | -159.4 | -67.6 | 0 | 0 | 111.8 | P113 R117 | P113-M115 PolarHBondContact O-N 2.9Å; M115-R117 PolarHBondContact O-N 3.32Å | ||
| 116 | P | 59.4 | Low | 50 | Low | 123 Ų | 123 | 146.6 Ų | 146.6 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -56.2 | 120 | 170.4 | -26.6 | 35.9 | 0 | 0 | 0 | 111.7 | M118 | P116-M118 PolarHBondContact O-N 2.82Š| ||
| 117 | R | 43.5 | Very low | 48.3 | Very low | 236 Ų | 236 | 147.1 Ų | 147.1 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | -71.1 | 90.8 | -167.8 | -63.8 | 179.3 | 66.9 | 128.6 | 2.5 | 113.2 | M115 R119 | M115-R117 PolarHBondContact O-N 3.32Å; R117-R119 PolarHBondContact O-N 2.98Å | ||
| 118 | M | 38.3 | Very low | 46.4 | Very low | 179 Ų | 179 | 148 Ų | 148 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -67 | 110.1 | 163.5 | -71.7 | -161.6 | 70.1 | 0 | 0 | 110.1 | P116 S120 | P116-M118 PolarHBondContact O-N 2.82Å; M118-S120 PolarHBondContact O-N 2.79Å; M118-S120 VanDerWaalsContact O-N 3.16Å | ||
| 119 | R | 41.7 | Very low | 44.8 | Very low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 103.4 | 174.1 | -78.9 | -172.4 | 171.2 | -141.3 | 1 | 110.5 | R117 | R117-R119 PolarHBondContact O-N 2.98Š| ||
| 120 | S | 32.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 142.7 Ų | 142.7 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | -99.1 | 134.6 | 157.7 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | M118 | M118-S120 PolarHBondContact O-N 2.79Å; M118-S120 VanDerWaalsContact O-N 3.16Å | ||
| 121 | S | 40.8 | Very low | 42.7 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -150.6 | 103.9 | 174 | -168.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 122 | N | 33.5 | Very low | 42 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | -98.5 | 130.7 | 172.3 | -66.2 | -17.5 | 0 | 0 | 0 | 109.2 | ||||
| 123 | Q | 41.8 | Very low | 41.2 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -173 | 127.2 | 154.6 | -99 | 150.3 | 26 | 0 | 0 | 105 | ||||
| 124 | D | 37.9 | Very low | 40.1 | Very low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | 63.5 | 118.7 | 69.4 | -59.6 | -47.5 | 0 | 0 | 0 | 110.2 | |||||
| 125 | T | 36.9 | Very low | 38.7 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | cis | -153.6 | 167.4 | 23.3 | 49.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 126 | S | 35.4 | Very low | 37.9 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | 61.1 | 121.1 | 142.9 | 64.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 127 | D | 37.5 | Very low | 36.6 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 82% | 0.821 | S | S | * | * | trans | 80.7 | 127.9 | 135.4 | -91.9 | -44.6 | 0 | 0 | 0 | 125.1 | ||||
| 128 | Q | 35.9 | Very low | 35.9 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 14 | 128.3 | 148.1 | -61.4 | 169.2 | 83.9 | 0 | 0 | 118.4 | ||||
| 129 | S | 37.1 | Very low | 35.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | 177 | 142.1 | 62.2 | -165 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 130 | L | 37.4 | Very low | 35.1 | Very low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | 46.3 | 120.5 | 138.3 | -160.2 | 70.4 | 0 | 0 | 0 | 122.7 | ||||
| 131 | E | 35.5 | Very low | 35.2 | Very low | 180 Ų | 180 | 132.6 Ų | 132.6 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | 53.5 | 117 | 152.5 | -60.1 | -71 | 115.5 | 0 | 0 | 120.4 | ||||
| 132 | G | 38.2 | Very low | 35.3 | Very low | 75 Ų | 75 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | 168.1 | 96.7 | 166 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 133 | S | 35.1 | Very low | 35.4 | Very low | 138 Ų | 138 | 133.7 Ų | 133.7 | 97% | 0.965 | 81% | 0.812 | S | S | * | * | trans | -32.6 | 129.3 | 174.7 | -49.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 134 | G | 34.4 | Very low | 35.5 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -169.1 | 105.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 135 | E | 31.2 | Very low | 35.8 | Very low | 206 Ų | 206 | 134.3 Ų | 134.3 | 96% | 0.963 | 82% | 0.815 | S | S | * | * | trans | -51.9 | 132.3 | -177.3 | -57.9 | 165.5 | -175.2 | 0 | 0 | 115.1 | ||||
| 136 | G | 30.8 | Very low | 36.1 | Very low | 78 Ų | 78 | 133.3 Ų | 133.3 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | 171.6 | 78.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 137 | L | 32.2 | Very low | 36.8 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 25.8 | 115.5 | 151.9 | -148.2 | 74.1 | 0 | 0 | 0 | 122.3 | ||||
| 138 | A | 29.2 | Very low | 37.2 | Very low | 89 Ų | 89 | 138.1 Ų | 138.1 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | trans | 59.4 | 110.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 139 | T | 30.3 | Very low | 38 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -160.4 | 128.3 | 137.4 | -80.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 140 | A | 33.7 | Very low | 38.9 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 160.4 | 112.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 141 | N | 35.4 | Very low | 39.7 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 122.3 | 163.2 | -144.2 | -15.9 | 0 | 0 | 0 | 109.4 | L143 | N141-L143 PolarHBondContact O-N 3.13Š| ||
| 142 | P | 42.2 | Very low | 41.2 | Very low | 116 Ų | 116 | 136.3 Ų | 136.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -89.9 | 105 | -158.5 | 32.5 | -35.3 | 0 | 0 | 0 | 114.6 | L144 | P142-L144 PolarHBondContact O-N 3.28Š| ||
| 143 | L | 35.7 | Very low | 42.5 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | trans | -84.7 | 64.8 | 179.8 | -161 | 77.1 | 0 | 0 | 0 | 113.6 | N141 | N141-L143 PolarHBondContact O-N 3.13Š| ||
| 144 | L | 43.3 | Very low | 44.5 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | trans | -128.9 | 37.2 | -171.2 | -125.6 | 174.4 | 0 | 0 | 0 | 116 | P142 | P142-L144 PolarHBondContact O-N 3.28Š| ||
| 145 | Q | 43.4 | Very low | 46.4 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -135.3 | -4.7 | 176.8 | -64.6 | -163.1 | 10.6 | 0 | 0 | 117.3 | T147 R148 | Q145-T147 PolarHBondContact O-N 3.22Å; Q145-R148 PolarHBondContact O-N 3.32Å | ||
| 146 | S | 44.2 | Very low | 48.9 | Very low | 99 Ų | 99 | 144.8 Ų | 144.8 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.2 | -41 | -165.3 | -169.6 | 0 | 0 | 0 | 0 | 115.3 | R148 S149 | S146-R148 PolarHBondContact O-N 3.39Å; S146-S149 WeakPolarHBondContact O-CB 3.35Å; S146-S149 PolarHBondContact O-N 3.32Å |
| 147 | T | 49.7 | Very low | 51.3 | Low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -61.7 | -19.1 | -172.5 | 52.1 | 0 | 0 | 0 | 0 | 115.1 | Q145 | Q145-T147 PolarHBondContact O-N 3.22Å |
| 148 | R | 46.5 | Very low | 53.5 | Low | 214 Ų | 214 | 145 Ų | 145 | 81% | 0.808 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -79.5 | -22.3 | 175.5 | -73.6 | -177.6 | 143 | -176.9 | -4.8 | 113.6 | Q145 S146 R152 | Q145-R148 PolarHBondContact O-N 3.32Å; S146-R148 PolarHBondContact O-N 3.39Å; R148-R152 PolarHBondContact O-N 3.16Å |
| 149 | S | 52.4 | Low | 56 | Low | 66 Ų | 66 | 148.3 Ų | 148.3 | 46% | 0.462 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -72.7 | -44.7 | -174.5 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | S146 R151 R152 R153 | S146-S149 WeakPolarHBondContact O-CB 3.35Å; S146-S149 PolarHBondContact O-N 3.32Å; S149-R151 PolarHBondContact O-N 3.13Å; S149-R152 WeakPolarHBondContact O-CA 3.26Å; S149-R152 WeakPolarHBondContact O-CB 3.21Å; S149-R152 PolarHBondContact O-N 3.4Å; S149-R152 VanDerWaalsContact O-N 3.09Å; S149-R153 PolarHBondContact O-N 2.98Å |
| 150 | S | 55.4 | Low | 58.3 | Low | 87 Ų | 87 | 146.4 Ų | 146.4 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -60.4 | -48.6 | 179.4 | 177.1 | 0 | 0 | 0 | 0 | 112.4 | R152 R153 K154 | S150-R152 PolarHBondContact O-N 3.22Å; S150-R153 PolarHBondContact O-N 3.29Å; S150-K154 PolarHBondContact O-N 3.09Å |
| 151 | R | 54.8 | Low | 60.5 | Low | 205 Ų | 205 | 148.7 Ų | 148.7 | 77% | 0.774 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.5 | -29.2 | 175.4 | -68.3 | -176.8 | 177.7 | 175.4 | 0.4 | 112.8 | S149 R155 | S149-R151 PolarHBondContact O-N 3.13Å; R151-R155 WeakPolarHBondContact O-CB 3.39Å; R151-R155 PolarHBondContact O-N 3.04Å |
| 152 | R | 66.3 | Low | 62.6 | Low | 207 Ų | 207 | 146.2 Ų | 146.2 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.5 | -35 | 173.9 | -164.9 | 179 | -174.2 | -171.6 | 1.9 | 112.5 | R148 S149 S150 K156 | R148-R152 PolarHBondContact O-N 3.16Å; S149-R152 WeakPolarHBondContact O-CA 3.26Å; S149-R152 WeakPolarHBondContact O-CB 3.21Å; S149-R152 PolarHBondContact O-N 3.4Å; S149-R152 VanDerWaalsContact O-N 3.09Å; S150-R152 PolarHBondContact O-N 3.22Å; R152-K156 PolarHBondContact O-N 2.92Å; R152-K156 VanDerWaalsContact O-N 3.09Å |
| 153 | R | 67.2 | Low | 64.4 | Low | 197 Ų | 197 | 146.6 Ų | 146.6 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -68 | -46.7 | 171.7 | -74.7 | -173.1 | 176.1 | -175 | -1.3 | 111.9 | S149 S150 R155 K156 K157 | S149-R153 PolarHBondContact O-N 2.98Å; S150-R153 PolarHBondContact O-N 3.29Å; R153-R155 PolarHBondContact O-N 3.19Å; R153-K156 WeakPolarHBondContact O-CB 3.49Å; R153-K156 PolarHBondContact O-N 2.9Å; R153-K157 PolarHBondContact O-N 3.09Å |
| 154 | K | 76.3 | Confident | 66.6 | Low | 167 Ų | 167 | 143.5 Ų | 143.5 | 73% | 0.726 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.8 | -49.1 | 177.2 | -169.6 | 164.5 | -177.3 | 169.4 | 0 | 111.3 | S150 K156 K157 E158 | S150-K154 PolarHBondContact O-N 3.09Å; K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.41Å; K154-K157 PolarHBondContact O-N 3.31Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 PolarHBondContact O-N 3.02Å |
| 155 | R | 74.3 | Confident | 68.6 | Low | 188 Ų | 188 | 143.2 Ų | 143.2 | 71% | 0.709 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.2 | -23.3 | 173.2 | -81.8 | -175.6 | 165.6 | -172.3 | -4.4 | 115.2 | R151 R153 R159 | R151-R155 WeakPolarHBondContact O-CB 3.39Å; R151-R155 PolarHBondContact O-N 3.04Å; R153-R155 PolarHBondContact O-N 3.19Å; R155-R159 WeakPolarHBondContact O-CB 3.35Å; R155-R159 PolarHBondContact O-N 3.36Å |
| 156 | K | 82.8 | Confident | 70.6 | Confident | 124 Ų | 124 | 139.9 Ų | 139.9 | 54% | 0.539 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.3 | -52.3 | 171.6 | -166.5 | -170.4 | 174.8 | -91.1 | 0 | 110.2 | R152 R153 K154 E158 R159 E160 | R152-K156 PolarHBondContact O-N 2.92Å; R152-K156 VanDerWaalsContact O-N 3.09Å; R153-K156 WeakPolarHBondContact O-CB 3.49Å; R153-K156 PolarHBondContact O-N 2.9Å; K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.41Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.34Å; K156-R159 PolarHBondContact O-N 2.98Å; K156-E160 IonicContact NZ-OE1 3.76Å; K156-E160 PolarHBondContact NZ-OE1 3.15Å; K156-E160 IonicContact NZ-OE2 3.65Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 VanDerWaalsContact O-CB 3.26Å; K156-E160 WeakPolarHBondContact O-CB 3.49Å; K156-E160 PolarHBondContact O-N 3.37Å |
| 157 | K | 82 | Confident | 72.3 | Confident | 146 Ų | 146 | 141.8 Ų | 141.8 | 64% | 0.635 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59 | -39.6 | 179.6 | -167.7 | 178.2 | -179.1 | -174.4 | 0 | 111.3 | R153 K154 E160 R161 | R153-K157 PolarHBondContact O-N 3.09Å; K154-K157 PolarHBondContact O-N 3.31Å; K157-E160 PolarHBondContact O-N 2.88Å; K157-R161 PolarHBondContact O-N 3.41Å |
| 158 | E | 78.2 | Confident | 73.6 | Confident | 112 Ų | 112 | 140.7 Ų | 140.7 | 52% | 0.523 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -56 | -57 | 172.9 | -173 | 173.8 | -144.5 | 0 | 0 | 111.9 | K154 K156 E160 R161 E162 | K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 PolarHBondContact O-N 3.02Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.34Å; E158-E160 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact O-N 3.13Å; E158-R161 PolarHBondContact O-N 2.87Å; E158-E162 PolarHBondContact O-N 2.88Å |
| 159 | R | 83 | Confident | 75.1 | Confident | 158 Ų | 158 | 136.9 Ų | 136.9 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.8 | -10.1 | 179.5 | -147.5 | -176.7 | -160.1 | -167.7 | 6.3 | 114.7 | R155 K156 Q163 | R155-R159 WeakPolarHBondContact O-CB 3.35Å; R155-R159 PolarHBondContact O-N 3.36Å; K156-R159 PolarHBondContact O-N 2.98Å; R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 PolarHBondContact O-NE2 3.24Å |
| 160 | E | 76.6 | Confident | 76.2 | Confident | 103 Ų | 103 | 139.1 Ų | 139.1 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -94.4 | -35.8 | 177.2 | -157.5 | 151.5 | -137.6 | 0 | 0 | 110.2 | K156 K157 E158 K164 | K156-E160 IonicContact NZ-OE1 3.76Å; K156-E160 PolarHBondContact NZ-OE1 3.15Å; K156-E160 IonicContact NZ-OE2 3.65Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 VanDerWaalsContact O-CB 3.26Å; K156-E160 WeakPolarHBondContact O-CB 3.49Å; K156-E160 PolarHBondContact O-N 3.37Å; K157-E160 PolarHBondContact O-N 2.88Å; E158-E160 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact O-N 3.13Å; E160-K164 PolarHBondContact O-N 2.9Å |
| 161 | R | 80.8 | Confident | 77 | Confident | 145 Ų | 145 | 139.8 Ų | 139.8 | 55% | 0.547 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -40.2 | 166.7 | -136.7 | 178.2 | -162.3 | -162.2 | 3.5 | 110.7 | K157 E158 K164 K165 D647 | K157-R161 PolarHBondContact O-N 3.41Å; E158-R161 PolarHBondContact O-N 2.87Å; R161-K164 PolarHBondContact O-N 3.01Å; R161-K165 PolarHBondContact O-N 3.02Å; R161-D647 IonicContact CZ-OD2 2.69Å; R161-D647 IonicContact NH2-OD2 3.51Å; R161-D647 PolarHBondContact NH2-OD2 3.5Å |
| 162 | E | 79.3 | Confident | 77.6 | Confident | 109 Ų | 109 | 138.1 Ų | 138.1 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -57.1 | -54 | 170.3 | -73.5 | -178.9 | 142.3 | 0 | 0 | 111.4 | E158 K164 K165 D166 | E158-E162 PolarHBondContact O-N 2.88Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.81Å; E162-K165 CarbonylContact O-C 3.58Å; E162-K165 PolarHBondContact O-N 3.01Å; E162-D166 PolarHBondContact O-N 2.79Å |
| 163 | Q | 80.8 | Confident | 77.7 | Confident | 124 Ų | 124 | 130.6 Ų | 130.6 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.4 | -29.1 | 179.6 | -88.1 | 171.7 | 98.9 | 0 | 0 | 114.1 | R159 K167 | R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 PolarHBondContact O-NE2 3.24Å; Q163-K167 WeakPolarHBondContact O-CB 3.49Å; Q163-K167 PolarHBondContact O-N 3.39Å; Q163-K167 VanDerWaalsContact O-N 3.15Å |
| 164 | K | 82.5 | Confident | 77.6 | Confident | 109 Ų | 109 | 129.2 Ų | 129.2 | 47% | 0.474 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.7 | -48.2 | 170 | -167.2 | -175.4 | 177.8 | -167.7 | 0 | 109.3 | E160 R161 E162 K167 E168 P644 | E160-K164 PolarHBondContact O-N 2.9Å; R161-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.81Å; K164-K167 PolarHBondContact O-N 3.1Å; K164-E168 WeakPolarHBondContact O-CB 3.35Å; K164-E168 PolarHBondContact O-N 2.9Å; K164-P644 PolarHBondContact NZ-O 2.96Å |
| 165 | K | 85.1 | Confident | 76.7 | Confident | 153 Ų | 153 | 131 Ų | 131 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -42.7 | -178.3 | -159.7 | 163.5 | -172.7 | 165.7 | 0 | 113.3 | R161 E162 K167 E168 Q169 | R161-K165 PolarHBondContact O-N 3.02Å; E162-K165 CarbonylContact O-C 3.58Å; E162-K165 PolarHBondContact O-N 3.01Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 2.75Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-Q169 PolarHBondContact O-N 3.12Å |
| 166 | D | 83.8 | Confident | 75.9 | Confident | 102 Ų | 102 | 126.7 Ų | 126.7 | 55% | 0.545 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.6 | -43 | 173.1 | -73.3 | -8.3 | 0 | 0 | 0 | 111.5 | E162 Q170 | E162-D166 PolarHBondContact O-N 2.79Å; D166-Q170 WeakPolarHBondContact O-CB 3.4Å; D166-Q170 PolarHBondContact O-N 3.18Å |
| 167 | K | 80.9 | Confident | 74.7 | Confident | 139 Ų | 139 | 128 Ų | 128 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.7 | -29.2 | -179.3 | -171 | 167.1 | -177.5 | 175.8 | 0 | 112.5 | Q163 K164 K165 N171 | Q163-K167 WeakPolarHBondContact O-CB 3.49Å; Q163-K167 PolarHBondContact O-N 3.39Å; Q163-K167 VanDerWaalsContact O-N 3.15Å; K164-K167 PolarHBondContact O-N 3.1Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 2.75Å; K167-N171 WeakPolarHBondContact O-CB 3.33Å; K167-N171 PolarHBondContact O-N 3.4Å |
| 168 | E | 76.6 | Confident | 73.1 | Confident | 100 Ų | 100 | 128.2 Ų | 128.2 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.8 | -44.1 | 171.8 | -162.7 | 179.3 | 132.2 | 0 | 0 | 111.3 | K164 K165 Q170 N171 R172 | K164-E168 WeakPolarHBondContact O-CB 3.35Å; K164-E168 PolarHBondContact O-N 2.9Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 2.89Å; E168-N171 PolarHBondContact O-N 3.3Å; E168-N171 VanDerWaalsContact O-N 3.16Å; E168-R172 PolarHBondContact O-N 3.38Å; E168-R172 IonicContact OE1-NH1 2.74Å |
| 169 | Q | 77.2 | Confident | 71.7 | Confident | 134 Ų | 134 | 130 Ų | 130 | 63% | 0.626 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -58.2 | -43.8 | 169.4 | -89.9 | -167.8 | -21.1 | 0 | 0 | 112 | K165 N171 R172 S173 | K165-Q169 PolarHBondContact O-N 3.12Å; Q169-N171 VanDerWaalsContact C-N 3.29Å; Q169-N171 PolarHBondContact O-N 3.34Å; Q169-R172 PolarHBondContact O-N 2.92Å; Q169-S173 WeakPolarHBondContact O-CB 3.21Å; Q169-S173 PolarHBondContact O-N 3.13Å |
| 170 | Q | 76.1 | Confident | 69.9 | Low | 113 Ų | 113 | 128.2 Ų | 128.2 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.1 | -24.6 | 177.3 | -176.3 | 165.6 | 93.7 | 0 | 0 | 113.3 | D166 E168 S173 R174 | D166-Q170 WeakPolarHBondContact O-CB 3.4Å; D166-Q170 PolarHBondContact O-N 3.18Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 2.89Å; Q170-S173 PolarHBondContact O-OG 3.11Å; Q170-R174 VanDerWaalsContact O-CB 3.24Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.35Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 2.94Å; Q170-R174 VanDerWaalsContact O-N 3.16Å |
| 171 | N | 72.3 | Confident | 68.3 | Low | 101 Ų | 101 | 128.5 Ų | 128.5 | 54% | 0.54 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -80.1 | -35.9 | 171.8 | -84.7 | -4.1 | 0 | 0 | 0 | 112.3 | K167 E168 Q169 R175 | K167-N171 WeakPolarHBondContact O-CB 3.33Å; K167-N171 PolarHBondContact O-N 3.4Å; E168-N171 PolarHBondContact O-N 3.3Å; E168-N171 VanDerWaalsContact O-N 3.16Å; Q169-N171 VanDerWaalsContact C-N 3.29Å; Q169-N171 PolarHBondContact O-N 3.34Å; N171-R175 PolarHBondContact O-N 3.18Å |
| 172 | R | 67.8 | Low | 66.5 | Low | 170 Ų | 170 | 127.9 Ų | 127.9 | 64% | 0.642 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62.1 | -54.7 | 169 | -99.9 | 176.2 | 155.6 | 135.2 | -10.5 | 110.1 | E168 Q169 R174 R175 D176 | E168-R172 PolarHBondContact O-N 3.38Å; E168-R172 IonicContact OE1-NH1 2.74Å; Q169-R172 PolarHBondContact O-N 2.92Å; R172-R174 PolarHBondContact O-N 2.99Å; R172-R174 VanDerWaalsContact O-N 3.13Å; R172-R175 WeakPolarHBondContact O-CA 3.34Å; R172-R175 VanDerWaalsContact O-CB 3.29Å; R172-R175 WeakPolarHBondContact O-CB 3.33Å; R172-R175 PolarHBondContact O-N 3.18Å; R172-D176 PolarHBondContact O-N 3.13Å; R172-D176 VanDerWaalsContact O-OD2 3.1Å |
| 173 | S | 68.6 | Low | 64.7 | Low | 49 Ų | 49 | 129.2 Ų | 129.2 | 34% | 0.343 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -59.6 | -31.6 | 179.2 | 84.1 | 0 | 0 | 0 | 0 | 113.2 | Q169 Q170 R175 D176 E177 | Q169-S173 WeakPolarHBondContact O-CB 3.21Å; Q169-S173 PolarHBondContact O-N 3.13Å; Q170-S173 PolarHBondContact O-OG 3.11Å; S173-R175 VanDerWaalsContact C-N 3.33Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-E177 VanDerWaalsContact O-CB 3.29Å; S173-E177 WeakPolarHBondContact O-CB 2.83Å; S173-E177 WeakPolarHBondContact O-CG 3.02Å; S173-E177 PolarHBondContact O-N 2.74Å |
| 174 | R | 64.6 | Low | 62.8 | Low | 167 Ų | 167 | 129.5 Ų | 129.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.1 | -12.6 | 173.1 | -79.8 | 178.2 | 163.6 | -157.6 | -8 | 114.9 | Q170 R172 | Q170-R174 VanDerWaalsContact O-CB 3.24Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.35Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 2.94Å; Q170-R174 VanDerWaalsContact O-N 3.16Å; R172-R174 PolarHBondContact O-N 2.99Å; R172-R174 VanDerWaalsContact O-N 3.13Å |
| 175 | R | 57.4 | Low | 60.7 | Low | 206 Ų | 206 | 128.1 Ų | 128.1 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.3 | -43.2 | 166.6 | -158.2 | 173.9 | -172.3 | -171.2 | -2 | 109.6 | N171 R172 S173 N178 | N171-R175 PolarHBondContact O-N 3.18Å; R172-R175 WeakPolarHBondContact O-CA 3.34Å; R172-R175 VanDerWaalsContact O-CB 3.29Å; R172-R175 WeakPolarHBondContact O-CB 3.33Å; R172-R175 PolarHBondContact O-N 3.18Å; S173-R175 VanDerWaalsContact C-N 3.33Å; R175-N178 PolarHBondContact O-N 3.35Å |
| 176 | D | 57.8 | Low | 58.6 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 52% | 0.519 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -69.7 | -44.5 | -179.6 | -48.6 | -32.1 | 0 | 0 | 0 | 112.3 | R172 S173 N178 D179 | R172-D176 PolarHBondContact O-N 3.13Å; R172-D176 VanDerWaalsContact O-OD2 3.1Å; S173-D176 PolarHBondContact O-N 2.95Å; D176-N178 PolarHBondContact O-N 3Å; D176-D179 PolarHBondContact O-N 2.75Å |
| 177 | E | 56.9 | Low | 56.7 | Low | 152 Ų | 152 | 125.3 Ų | 125.3 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -11.2 | 178.6 | -72.9 | -164.9 | 137.1 | 0 | 0 | 113.9 | S173 D179 | S173-E177 VanDerWaalsContact O-CB 3.29Å; S173-E177 WeakPolarHBondContact O-CB 2.83Å; S173-E177 WeakPolarHBondContact O-CG 3.02Å; S173-E177 PolarHBondContact O-N 2.74Å; E177-D179 VanDerWaalsContact C-N 3.34Å |
| 178 | N | 49.8 | Very low | 55 | Low | 149 Ų | 149 | 127.2 Ų | 127.2 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -8.3 | 168.4 | -96.3 | 1.8 | 0 | 0 | 0 | 113 | R175 D176 | R175-N178 PolarHBondContact O-N 3.35Å; D176-N178 PolarHBondContact O-N 3Å |
| 179 | D | 47.5 | Very low | 53.8 | Low | 150 Ų | 150 | 129.3 Ų | 129.3 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -114.9 | 20.1 | 178.8 | -127.6 | -26.5 | 0 | 0 | 0 | 112.6 | D176 E177 | D176-D179 PolarHBondContact O-N 2.75Å; E177-D179 VanDerWaalsContact C-N 3.34Å |
| 180 | V | 46.3 | Very low | 52.6 | Low | 121 Ų | 121 | 130 Ų | 130 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -118.2 | 72.1 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | S | 42.9 | Very low | 51.5 | Low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -151.2 | 134.4 | 149.8 | 66 | 0 | 0 | 0 | 0 | 112.4 | ||
| 182 | V | 41.3 | Very low | 50.9 | Low | 133 Ų | 133 | 132.7 Ų | 132.7 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 79.7 | 76.2 | 176.9 | -162.1 | 0 | 0 | 0 | 0 | 117.1 | ||
| 183 | V | 42.6 | Very low | 50.4 | Low | 136 Ų | 136 | 132.9 Ų | 132.9 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | 75.3 | 126.8 | 142.1 | -174.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 184 | P | 39.9 | Very low | 49.9 | Very low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 73% | 0.734 | S | S | * | * | trans | -100.7 | 155.1 | -156.3 | 39.1 | -36.2 | 0 | 0 | 0 | 115.2 | ||||
| 185 | G | 40.3 | Very low | 49.8 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | trans | -174 | 93.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 186 | G | 40.2 | Very low | 50.1 | Low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 73 | 121.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 187 | V | 44.1 | Very low | 49.9 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 53.8 | 106.5 | 160.8 | -59.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 188 | E | 45.2 | Very low | 49.9 | Very low | 179 Ų | 179 | 132.4 Ų | 132.4 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | 74.9 | 150.2 | 63.6 | -63 | 170.3 | 154.6 | 0 | 0 | 112.6 | |||||
| 189 | D | 51.6 | Low | 49.5 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -60 | 141 | -165.8 | -69.6 | -81.5 | 0 | 0 | 0 | 113.2 | D191 | D189-D191 VanDerWaalsContact C-N 3.31Å; D189-D191 PolarHBondContact O-N 3.23Å | ||
| 190 | M | 50.8 | Low | 49.1 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | trans | -73.2 | 94.1 | 159.3 | -103.1 | -168.2 | 177.8 | 0 | 0 | 107.7 | E194 | M190-E194 WeakPolarHBondContact CE-OE1 3.42Å; M190-E194 WeakPolarHBondContact CE-OE2 3.43Å | ||
| 191 | D | 54 | Low | 48.7 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 57% | 0.572 | 75% | 0.753 | S | S | * | * | trans | -52.9 | 154.2 | -178.3 | -70.7 | -42.2 | 0 | 0 | 0 | 113 | D189 Y193 E194 | D189-D191 VanDerWaalsContact C-N 3.31Å; D189-D191 PolarHBondContact O-N 3.23Å; D191-Y193 PolarHBondContact O-N 3.34Å; D191-E194 PolarHBondContact O-N 2.89Å | ||
| 192 | E | 59.5 | Low | 48.5 | Very low | 165 Ų | 165 | 132.1 Ų | 132.1 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.7 | -16.2 | 171.2 | -160.2 | 165.3 | 177 | 0 | 0 | 112.9 | ||
| 193 | Y | 56.2 | Low | 48.8 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -34.3 | 172.8 | -81.7 | -90.2 | 0 | 0 | 0 | 115.3 | D191 M195 M196 | D191-Y193 PolarHBondContact O-N 3.34Å; Y193-M195 VanDerWaalsContact C-N 3.27Å; Y193-M195 PolarHBondContact O-N 3.03Å; Y193-M196 PolarHBondContact O-N 3.47Å |
| 194 | E | 59.9 | Low | 49.2 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 53% | 0.533 | 76% | 0.756 | S | S | . | * | G | 310 helix | trans | -69.1 | -30.8 | -177.1 | -170 | 167.8 | 162.6 | 0 | 0 | 111.4 | M190 D191 M196 N197 | M190-E194 WeakPolarHBondContact CE-OE1 3.42Å; M190-E194 WeakPolarHBondContact CE-OE2 3.43Å; D191-E194 PolarHBondContact O-N 2.89Å; E194-M196 PolarHBondContact O-N 3.02Å; E194-N197 PolarHBondContact O-N 2.88Å |
| 195 | M | 62.4 | Low | 49.4 | Very low | 148 Ų | 148 | 130.6 Ų | 130.6 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -68.5 | -11.7 | 173.2 | -71.1 | -179.1 | -75.7 | 0 | 0 | 114 | Y193 | Y193-M195 VanDerWaalsContact C-N 3.27Å; Y193-M195 PolarHBondContact O-N 3.03Å |
| 196 | M | 62.5 | Low | 49.5 | Very low | 147 Ų | 147 | 131 Ų | 131 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -93.4 | -18.1 | 177.9 | -70.1 | -124.8 | -76.4 | 0 | 0 | 114.4 | Y193 E194 V198 | Y193-M196 PolarHBondContact O-N 3.47Å; E194-M196 PolarHBondContact O-N 3.02Å; M196-V198 PolarHBondContact O-N 3.42Å |
| 197 | N | 54.9 | Low | 49.4 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | trans | -86 | 3.2 | -170.7 | -74.6 | -0 | 0 | 0 | 0 | 115.2 | E194 R199 | E194-N197 PolarHBondContact O-N 2.88Å; N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 2.82Å; N197-R199 VanDerWaalsContact O-N 3.11Å | ||
| 198 | V | 55 | Low | 49.2 | Very low | 125 Ų | 125 | 130 Ų | 130 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 39.8 | -170.4 | -158.9 | 0 | 0 | 0 | 0 | 113.9 | M196 | M196-V198 PolarHBondContact O-N 3.42Š|
| 199 | R | 42.9 | Very low | 49.1 | Very low | 247 Ų | 247 | 125.8 Ų | 125.8 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 45.6 | 160.7 | -138.7 | 176.4 | -177.7 | 84.2 | 2.8 | 118.6 | N197 | N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 2.82Å; N197-R199 VanDerWaalsContact O-N 3.11Å |
| 200 | G | 39.1 | Very low | 48.8 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 163 | 120.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 201 | G | 37.3 | Very low | 48.7 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | 99.8 | 132.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 202 | S | 38 | Very low | 47.8 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | -105.6 | 134.2 | -172.7 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 203 | P | 48.9 | Very low | 47 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 160.3 | 163.8 | -6.7 | 25.7 | 0 | 0 | 0 | 112.9 | ||||
| 204 | P | 50.7 | Low | 46.1 | Very low | 123 Ų | 123 | 120 Ų | 120 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -110.7 | -157.2 | -164.7 | 49.1 | -39.6 | 0 | 0 | 0 | 112.1 | ||||
| 205 | P | 44.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | -126.2 | 134.8 | -125.5 | 28 | -3.3 | 0 | 0 | 0 | 118.2 | |||||
| 206 | G | 40.5 | Very low | 43.5 | Very low | 87 Ų | 87 | 116 Ų | 116 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 68.4 | 103.9 | 130.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 207 | G | 39.8 | Very low | 42.4 | Very low | 82 Ų | 82 | 116.5 Ų | 116.5 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | 145.1 | 144 | 156.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 208 | A | 39.6 | Very low | 41.5 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | cis | -150.8 | 139.9 | -8.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 209 | A | 42.9 | Very low | 40.6 | Very low | 91 Ų | 91 | 121.8 Ų | 121.8 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | 57.3 | 151 | 88.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 210 | P | 45.5 | Very low | 40.4 | Very low | 122 Ų | 122 | 115.3 Ų | 115.3 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | cis | -136 | -137.1 | -14.9 | 30.8 | -3.3 | 0 | 0 | 0 | 112.7 | ||||
| 211 | P | 47.4 | Very low | 40.2 | Very low | 103 Ų | 103 | 114.8 Ų | 114.8 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | -140.5 | 177.2 | -90.3 | 46.1 | -29.7 | 0 | 0 | 0 | 119.4 | |||||
| 212 | L | 36.3 | Very low | 40.4 | Very low | 161 Ų | 161 | 115 Ų | 115 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 61.8 | 125.9 | 138.3 | -80.2 | 162.8 | 0 | 0 | 0 | 123.4 | ||||
| 213 | S | 41.3 | Very low | 40.2 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | 179.7 | 149 | 126.8 | -84.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 214 | S | 38.2 | Very low | 39.7 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | cis | -155.9 | 153 | 7 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 215 | C | 32.1 | Very low | 38.9 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 57.8 | 136 | 156.1 | -159.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 216 | G | 36.2 | Very low | 38.8 | Very low | 60 Ų | 60 | 120.7 Ų | 120.7 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 152.5 | 164.2 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 217 | Q | 39.5 | Very low | 38.7 | Very low | 158 Ų | 158 | 123.5 Ų | 123.5 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | 74.6 | 139.7 | 171.9 | -59.9 | -173.1 | 35.9 | 0 | 0 | 116.3 | ||||
| 218 | R | 35.7 | Very low | 38.9 | Very low | 181 Ų | 181 | 126 Ų | 126 | 68% | 0.683 | 74% | 0.741 | S | S | * | * | cis | -162.6 | 146.7 | -0.5 | -106.8 | 169.2 | -157.1 | -92.7 | -2.7 | 110.1 | ||||
| 219 | F | 36.8 | Very low | 38.8 | Very low | 181 Ų | 181 | 124.7 Ų | 124.7 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | trans | 48.3 | 148.8 | 141.1 | -69.4 | -128.7 | 0 | 0 | 0 | 119.3 | ||||
| 220 | S | 37.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | cis | -172.6 | 171.2 | -8.2 | -84.9 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 221 | G | 35.2 | Very low | 38.4 | Very low | 65 Ų | 65 | 125.2 Ų | 125.2 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | cis | 136.6 | 50.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 222 | A | 41.6 | Very low | 38.1 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | -155.5 | 148.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 223 | D | 33.7 | Very low | 38.2 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | cis | 84.2 | 157.9 | 29.8 | -147.7 | -3.9 | 0 | 0 | 0 | 113.5 | ||||
| 224 | W | 38.4 | Very low | 38 | Very low | 204 Ų | 204 | 121 Ų | 121 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | trans | 72.3 | 119.7 | -164.3 | -35.2 | 112.2 | 0 | 0 | 0 | 113 | ||||
| 225 | D | 34.1 | Very low | 38 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | cis | 65.7 | 146.2 | 23.7 | -162.1 | 35.4 | 0 | 0 | 0 | 114.8 | ||||
| 226 | M | 42.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 120 Ų | 120 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | 103.8 | 143 | -160.6 | -64.5 | -46 | 90.9 | 0 | 0 | 112.7 | ||||
| 227 | D | 38.5 | Very low | 38.2 | Very low | 147 Ų | 147 | 120.3 Ų | 120.3 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -167.1 | 175.1 | -20.4 | -172.7 | 23.6 | 0 | 0 | 0 | 108 | ||||
| 228 | D | 42.7 | Very low | 37.9 | Very low | 135 Ų | 135 | 121.6 Ų | 121.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | 68.1 | 117.9 | 165.9 | -161.6 | 30 | 0 | 0 | 0 | 118.4 | ||||
| 229 | G | 38.6 | Very low | 37.9 | Very low | 66 Ų | 66 | 116.7 Ų | 116.7 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | cis | 160.8 | -168.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 230 | S | 40.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 112.9 Ų | 112.9 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 61.9 | 88.7 | 151.4 | -59.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 231 | A | 38.6 | Very low | 37.9 | Very low | 106 Ų | 106 | 111.7 Ų | 111.7 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | 160.1 | 136.9 | 120.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 232 | A | 41.4 | Very low | 38 | Very low | 84 Ų | 84 | 112.6 Ų | 112.6 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | cis | -157.6 | 167.1 | -14.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 233 | T | 39 | Very low | 37.9 | Very low | 142 Ų | 142 | 112.6 Ų | 112.6 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | trans | 18.5 | 123 | 155.8 | 55.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 234 | G | 36.1 | Very low | 38.1 | Very low | 71 Ų | 71 | 110.5 Ų | 110.5 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | 128.7 | 150.3 | 14.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 235 | A | 37.8 | Very low | 38.1 | Very low | 102 Ų | 102 | 104 Ų | 104 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | trans | 64.1 | 130.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 236 | A | 34.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 107.4 Ų | 107.4 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | cis | 78 | 119.3 | 47 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 237 | G | 37.9 | Very low | 38.5 | Very low | 65 Ų | 65 | 108 Ų | 108 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 117.7 | 118.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 238 | L | 32.9 | Very low | 38.8 | Very low | 185 Ų | 185 | 105.8 Ų | 105.8 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | 73.5 | 100.3 | 54.6 | -64.6 | 174.8 | 0 | 0 | 0 | 113.3 | |||||
| 239 | G | 35.9 | Very low | 38.5 | Very low | 78 Ų | 78 | 107.6 Ų | 107.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 76.8 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 240 | A | 38 | Very low | 38.4 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | cis | -166.6 | 129.1 | -19.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 241 | G | 36.1 | Very low | 38.3 | Very low | 84 Ų | 84 | 107.5 Ų | 107.5 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 72.6 | 156 | 152.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 242 | G | 39.1 | Very low | 38.4 | Very low | 85 Ų | 85 | 111.9 Ų | 111.9 | 88% | 0.876 | 79% | 0.792 | S | S | * | * | trans | 90.1 | 116.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 243 | G | 38.4 | Very low | 38.4 | Very low | 80 Ų | 80 | 113.3 Ų | 113.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | cis | 142.2 | 138.3 | -13 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 244 | G | 37.4 | Very low | 38.3 | Very low | 88 Ų | 88 | 111 Ų | 111 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | 80.4 | 141.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 245 | G | 39.5 | Very low | 38.9 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | 176.4 | 165.2 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 246 | Y | 43.8 | Very low | 38.8 | Very low | 205 Ų | 205 | 117 Ų | 117 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | cis | -160.8 | 145.9 | 9.9 | 39.1 | -96.4 | 0 | 0 | 0 | 110.3 | ||||
| 247 | N | 41.6 | Very low | 39 | Very low | 154 Ų | 154 | 118.8 Ų | 118.8 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 59 | 151 | 157.5 | -59.7 | 5.7 | 0 | 0 | 0 | 119.3 | ||||
| 248 | S | 43.5 | Very low | 39.2 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | cis | -154.4 | 143.6 | 3.6 | -137.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 249 | H | 38.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 54.9 | 126.8 | 162.4 | -109 | 45 | 0 | 0 | 0 | 119.2 | ||||
| 250 | S | 35.9 | Very low | 40 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | cis | 75.4 | 133.8 | 29.7 | -154.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 251 | S | 37.9 | Very low | 40.1 | Very low | 91 Ų | 91 | 124.9 Ų | 124.9 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | cis | -167.2 | 166.2 | -1 | 31.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 252 | Y | 40.9 | Very low | 40.2 | Very low | 197 Ų | 197 | 123.6 Ų | 123.6 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | -176.7 | 132.7 | 79.9 | -161.3 | -99 | 0 | 0 | 0 | 113.8 | |||||
| 253 | D | 40.8 | Very low | 40.2 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | trans | -19.9 | 150.3 | 158.8 | -67.8 | -73.8 | 0 | 0 | 0 | 119.7 | ||||
| 254 | S | 38.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | cis | 106.2 | 111.2 | 27.2 | -68.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 255 | Y | 47 | Very low | 40.9 | Very low | 212 Ų | 212 | 127.4 Ų | 127.4 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | trans | -154.8 | 127.5 | 156.4 | -68.5 | -70.9 | 0 | 0 | 0 | 105.6 | ||||
| 256 | S | 37.2 | Very low | 41.3 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | cis | 67 | 142.6 | 34.2 | 123.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 257 | D | 37.9 | Very low | 41.4 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 71% | 0.708 | S | S | * | * | cis | -152.5 | -178.8 | -4.7 | -80.2 | -47.3 | 0 | 0 | 0 | 107 | ||||
| 258 | E | 41.9 | Very low | 41.9 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | cis | -164.1 | 179 | 7.9 | -137.2 | -80.7 | 71.1 | 0 | 0 | 108.2 | ||||
| 259 | E | 42.8 | Very low | 42.2 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | trans | 70.7 | 157.2 | 155.5 | -68 | -162.8 | 122.9 | 0 | 0 | 119.3 | ||||
| 260 | T | 42.9 | Very low | 42.9 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 63% | 0.626 | 70% | 0.702 | S | S | * | * | cis | -160.5 | 172.3 | -20.4 | 33.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 261 | N | 40.3 | Very low | 43.8 | Very low | 148 Ų | 148 | 138.4 Ų | 138.4 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | cis | -153.1 | 168.5 | 8 | -135.6 | -52.6 | 0 | 0 | 0 | 111 | ||||
| 262 | G | 39.1 | Very low | 44.5 | Very low | 58 Ų | 58 | 137.8 Ų | 137.8 | 60% | 0.598 | 70% | 0.699 | S | S | * | * | trans | -83.5 | -159.3 | 165 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 263 | P | 39.4 | Very low | 45.1 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | cis | -130 | 152.3 | -4.3 | 38.8 | -23.3 | 0 | 0 | 0 | 114.9 | ||||
| 264 | G | 40.7 | Very low | 45.6 | Very low | 53 Ų | 53 | 140.6 Ų | 140.6 | 55% | 0.546 | 70% | 0.7 | S | S | . | * | trans | -140.6 | 20 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | M266 N267 | G264-M266 PolarHBondContact O-N 3.3Å; G264-N267 PolarHBondContact O-N 2.88Å; G264-N267 VanDerWaalsContact O-N 3.17Å | ||
| 265 | L | 48.4 | Very low | 46.2 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -4.2 | -160 | -76.1 | 165.5 | 0 | 0 | 0 | 118.1 | ||
| 266 | M | 48.5 | Very low | 46.4 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 83% | 0.833 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -23.3 | 175.8 | -159.2 | 68.3 | 82.6 | 0 | 0 | 113.5 | G264 | G264-M266 PolarHBondContact O-N 3.3Š|
| 267 | N | 45 | Very low | 47.3 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 57% | 0.572 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -93.6 | -24 | -168.6 | -89.1 | -31.8 | 0 | 0 | 0 | 115.6 | G264 R269 R270 R271 | G264-N267 PolarHBondContact O-N 2.88Å; G264-N267 VanDerWaalsContact O-N 3.17Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.26Å; N267-R270 PolarHBondContact O-N 3.48Å; N267-R270 VanDerWaalsContact O-N 3.07Å; N267-R271 PolarHBondContact O-N 3.22Å |
| 268 | Q | 52.8 | Low | 48.1 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 64% | 0.64 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -56.7 | -42.5 | 177.4 | -77.3 | 173.9 | -27.8 | 0 | 0 | 111.7 | R270 R271 T272 | Q268-R270 PolarHBondContact O-N 3.42Å; Q268-R270 VanDerWaalsContact O-N 3.07Å; Q268-R271 PolarHBondContact O-N 3.29Å; Q268-T272 PolarHBondContact O-N 2.91Å; Q268-T272 PolarHBondContact O-OG1 3.07Å |
| 269 | R | 50 | Low | 48.6 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 83% | 0.826 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.4 | -10.5 | 178.7 | -125.2 | 179.1 | -173.1 | -155.2 | -0.5 | 114.9 | N267 | N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.26Å |
| 270 | R | 53.7 | Low | 49.1 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 74% | 0.74 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -96.3 | -22.9 | 171.3 | -86.5 | -175 | 171.9 | -179.5 | -1.2 | 113.9 | N267 Q268 | N267-R270 PolarHBondContact O-N 3.48Å; N267-R270 VanDerWaalsContact O-N 3.07Å; Q268-R270 PolarHBondContact O-N 3.42Å; Q268-R270 VanDerWaalsContact O-N 3.07Å |
| 271 | R | 54.2 | Low | 49.6 | Very low | 194 Ų | 194 | 135.9 Ų | 135.9 | 73% | 0.732 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.7 | -59.9 | 173.1 | -71 | -172.5 | 176.1 | -177.7 | -1.2 | 109.7 | N267 Q268 R273 R274 D275 | N267-R271 PolarHBondContact O-N 3.22Å; Q268-R271 PolarHBondContact O-N 3.29Å; R271-R273 PolarHBondContact O-N 3.27Å; R271-R274 WeakPolarHBondContact O-CA 3.49Å; R271-R274 WeakPolarHBondContact O-CB 3.33Å; R271-R274 PolarHBondContact O-N 2.93Å; R271-D275 PolarHBondContact O-N 3.3Å |
| 272 | T | 52.7 | Low | 50.1 | Low | 78 Ų | 78 | 137.6 Ų | 137.6 | 48% | 0.479 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -51 | -39 | -179 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | Q268 R274 D275 N276 | Q268-T272 PolarHBondContact O-N 2.91Å; Q268-T272 PolarHBondContact O-OG1 3.07Å; T272-R274 PolarHBondContact O-N 3.06Å; T272-D275 PolarHBondContact O-N 3.09Å; T272-N276 PolarHBondContact O-N 3.12Å; T272-N276 PolarHBondContact O-OD1 3.23Å; T272-N276 VanDerWaalsContact O-OD1 3.09Å |
| 273 | R | 54.1 | Low | 50.7 | Low | 185 Ų | 185 | 135.6 Ų | 135.6 | 70% | 0.698 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.3 | -35.8 | 176.7 | -161.2 | 175.5 | -166.2 | 165.8 | 8.9 | 113.6 | R271 E277 | R271-R273 PolarHBondContact O-N 3.27Å; R273-E277 PolarHBondContact O-N 3.41Å |
| 274 | R | 50.6 | Low | 51.2 | Low | 184 Ų | 184 | 133.8 Ų | 133.8 | 69% | 0.694 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -76.8 | -30.6 | 176.5 | -175.4 | 178.4 | -71.3 | 175.2 | -3.7 | 111.7 | R271 T272 K278 | R271-R274 WeakPolarHBondContact O-CA 3.49Å; R271-R274 WeakPolarHBondContact O-CB 3.33Å; R271-R274 PolarHBondContact O-N 2.93Å; T272-R274 PolarHBondContact O-N 3.06Å; R274-K278 PolarHBondContact O-N 2.96Å |
| 275 | D | 51.8 | Low | 51.7 | Low | 86 Ų | 86 | 136.5 Ų | 136.5 | 46% | 0.46 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -72.2 | -44.5 | 176.5 | -59.8 | -46.1 | 0 | 0 | 0 | 111 | R271 T272 E277 K278 E279 | R271-D275 PolarHBondContact O-N 3.3Å; T272-D275 PolarHBondContact O-N 3.09Å; D275-E277 PolarHBondContact O-N 3.43Å; D275-K278 CarbonylContact O-C 3.51Å; D275-K278 WeakPolarHBondContact O-CB 3.31Å; D275-K278 PolarHBondContact O-N 3.32Å; D275-E279 WeakPolarHBondContact O-CB 3.19Å; D275-E279 PolarHBondContact O-N 2.84Å |
| 276 | N | 51.6 | Low | 52.1 | Low | 91 Ų | 91 | 133.4 Ų | 133.4 | 49% | 0.487 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.3 | -28.4 | 172.9 | -76.6 | 39.1 | 0 | 0 | 0 | 113.8 | T272 H280 | T272-N276 PolarHBondContact O-N 3.12Å; T272-N276 PolarHBondContact O-OD1 3.23Å; T272-N276 VanDerWaalsContact O-OD1 3.09Å; N276-H280 PolarHBondContact O-N 2.91Å; N276-H280 PolarHBondContact O-ND1 3.36Å; N276-H280 VanDerWaalsContact O-ND1 3.09Å |
| 277 | E | 54.5 | Low | 52.3 | Low | 139 Ų | 139 | 132.9 Ų | 132.9 | 65% | 0.65 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.8 | -42.7 | 176.8 | -138.6 | 173.5 | 144.4 | 0 | 0 | 111 | R273 D275 E279 H280 Q281 | R273-E277 PolarHBondContact O-N 3.41Å; D275-E277 PolarHBondContact O-N 3.43Å; E277-E279 VanDerWaalsContact C-N 3.28Å; E277-E279 PolarHBondContact O-N 2.96Å; E277-H280 PolarHBondContact O-N 3.48Å; E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 VanDerWaalsContact O-N 3.11Å |
| 278 | K | 54.9 | Low | 52.7 | Low | 138 Ų | 138 | 135.7 Ų | 135.7 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.4 | -36.5 | 167.3 | -94.5 | 177.9 | 172.9 | 178.5 | 0 | 112.1 | R274 D275 Q281 R282 | R274-K278 PolarHBondContact O-N 2.96Å; D275-K278 CarbonylContact O-C 3.51Å; D275-K278 WeakPolarHBondContact O-CB 3.31Å; D275-K278 PolarHBondContact O-N 3.32Å; K278-Q281 PolarHBondContact O-N 2.97Å; K278-R282 WeakPolarHBondContact O-CB 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.21Å; K278-R282 PolarHBondContact O-N 2.92Å |
| 279 | E | 52.8 | Low | 52.6 | Low | 125 Ų | 125 | 137.6 Ų | 137.6 | 58% | 0.584 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.8 | -33.9 | 175.6 | -169.7 | 174.4 | -164.7 | 0 | 0 | 111.9 | D275 E277 R282 G283 | D275-E279 WeakPolarHBondContact O-CB 3.19Å; D275-E279 PolarHBondContact O-N 2.84Å; E277-E279 VanDerWaalsContact C-N 3.28Å; E277-E279 PolarHBondContact O-N 2.96Å; E279-R282 CarbonylContact O-C 3.58Å; E279-R282 PolarHBondContact O-N 3.42Å; E279-G283 WeakPolarHBondContact O-CA 3.47Å; E279-G283 PolarHBondContact O-N 2.94Å |
| 280 | H | 53.4 | Low | 52.7 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.2 | -40.9 | 171.8 | -90.6 | 72.3 | 0 | 0 | 0 | 112.6 | N276 E277 R282 G283 V284 | N276-H280 PolarHBondContact O-N 2.91Å; N276-H280 PolarHBondContact O-ND1 3.36Å; N276-H280 VanDerWaalsContact O-ND1 3.09Å; E277-H280 PolarHBondContact O-N 3.48Å; H280-R282 PolarHBondContact O-N 3.43Å; H280-G283 WeakPolarHBondContact O-CA 3.44Å; H280-G283 PolarHBondContact O-N 3.42Å; H280-V284 PolarHBondContact O-N 2.88Å; H280-V284 VanDerWaalsContact O-N 3.13Å |
| 281 | Q | 54.1 | Low | 52.5 | Low | 151 Ų | 151 | 130.7 Ų | 130.7 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -38.2 | 176 | -139.3 | 69.8 | 13.9 | 0 | 0 | 112.1 | E277 K278 G283 | E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; K278-Q281 PolarHBondContact O-N 2.97Å; Q281-G283 VanDerWaalsContact C-N 3.32Å |
| 282 | R | 51 | Low | 52.4 | Low | 183 Ų | 183 | 131.6 Ų | 131.6 | 69% | 0.691 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.6 | -26.2 | 169.7 | -70.1 | 174.8 | 171.2 | -160.7 | -5.9 | 112.3 | K278 E279 H280 N285 N286 | K278-R282 WeakPolarHBondContact O-CB 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.21Å; K278-R282 PolarHBondContact O-N 2.92Å; E279-R282 CarbonylContact O-C 3.58Å; E279-R282 PolarHBondContact O-N 3.42Å; H280-R282 PolarHBondContact O-N 3.43Å; R282-N285 WeakPolarHBondContact O-CB 3.42Å; R282-N285 PolarHBondContact O-N 3.15Å; R282-N286 PolarHBondContact O-N 3.29Å |
| 283 | G | 51.2 | Low | 52.6 | Low | 17 Ų | 17 | 131.8 Ų | 131.8 | 18% | 0.175 | 59% | 0.585 | C | S | . | * | H | α-helix | trans | -71.9 | -31.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E279 H280 Q281 N285 N286 R287 | E279-G283 WeakPolarHBondContact O-CA 3.47Å; E279-G283 PolarHBondContact O-N 2.94Å; H280-G283 WeakPolarHBondContact O-CA 3.44Å; H280-G283 PolarHBondContact O-N 3.42Å; Q281-G283 VanDerWaalsContact C-N 3.32Å; G283-N285 VanDerWaalsContact C-N 3.32Å; G283-N286 PolarHBondContact O-N 3.18Å; G283-R287 WeakPolarHBondContact O-CB 3.31Å; G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.29Å; G283-R287 PolarHBondContact O-N 2.88Å |
| 284 | V | 50 | Low | 52.5 | Low | 90 Ų | 90 | 132.3 Ų | 132.3 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.7 | -42 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | H280 K288 | H280-V284 PolarHBondContact O-N 2.88Å; H280-V284 VanDerWaalsContact O-N 3.13Å; V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.14Å |
| 285 | N | 50.8 | Low | 52.5 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71 | -36.2 | 176.5 | -67.3 | -20.6 | 0 | 0 | 0 | 112.2 | R282 G283 K288 R289 | R282-N285 WeakPolarHBondContact O-CB 3.42Å; R282-N285 PolarHBondContact O-N 3.15Å; G283-N285 VanDerWaalsContact C-N 3.32Å; N285-K288 PolarHBondContact O-N 2.87Å; N285-R289 PolarHBondContact O-N 2.79Å |
| 286 | N | 55.5 | Low | 52.2 | Low | 87 Ų | 87 | 135.1 Ų | 135.1 | 47% | 0.465 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -71.8 | -33.9 | 174.3 | -90.3 | -2.6 | 0 | 0 | 0 | 113.4 | R282 G283 R289 R290 | R282-N286 PolarHBondContact O-N 3.29Å; G283-N286 PolarHBondContact O-N 3.18Å; N286-R289 PolarHBondContact O-N 3.06Å; N286-R290 VanDerWaalsContact O-CB 3.32Å; N286-R290 WeakPolarHBondContact O-CB 3.5Å; N286-R290 PolarHBondContact O-N 3.43Å |
| 287 | R | 53.8 | Low | 51.7 | Low | 157 Ų | 157 | 134.1 Ų | 134.1 | 59% | 0.592 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.8 | -46.2 | 168.9 | -75.3 | 174.8 | -175.8 | 160.9 | 5.1 | 110.2 | G283 R289 R290 D291 | G283-R287 WeakPolarHBondContact O-CB 3.31Å; G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.29Å; G283-R287 PolarHBondContact O-N 2.88Å; R287-R289 CarbonylContact O-C 3.53Å; R287-R289 PolarHBondContact O-N 3.35Å; R287-R289 VanDerWaalsContact O-N 3.12Å; R287-R290 PolarHBondContact O-N 3.09Å; R287-D291 WeakPolarHBondContact O-CB 3.42Å; R287-D291 PolarHBondContact O-N 3.31Å |
| 288 | K | 52.7 | Low | 50.8 | Low | 167 Ų | 167 | 131 Ų | 131 | 73% | 0.726 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.2 | -17 | 175.8 | -159.2 | 168.5 | -175.7 | 176.9 | 0 | 114.7 | V284 N285 | V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.14Å; N285-K288 PolarHBondContact O-N 2.87Å |
| 289 | R | 52.1 | Low | 50.1 | Low | 177 Ų | 177 | 132.7 Ų | 132.7 | 67% | 0.668 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -80.3 | -57.4 | 161.9 | -73.9 | -176.8 | 171.1 | -164.4 | -3.6 | 111.2 | N285 N286 R287 D291 R292 D293 | N285-R289 PolarHBondContact O-N 2.79Å; N286-R289 PolarHBondContact O-N 3.06Å; R287-R289 CarbonylContact O-C 3.53Å; R287-R289 PolarHBondContact O-N 3.35Å; R287-R289 VanDerWaalsContact O-N 3.12Å; R289-D291 VanDerWaalsContact C-N 3.3Å; R289-D291 PolarHBondContact O-N 2.6Å; R289-R292 WeakPolarHBondContact O-CA 3.43Å; R289-R292 WeakPolarHBondContact O-CB 3.48Å; R289-R292 PolarHBondContact O-N 2.98Å; R289-D293 PolarHBondContact O-N 2.84Å; R289-D293 VanDerWaalsContact O-N 3.13Å; R289-D293 VanDerWaalsContact O-OD2 3.13Å |
| 290 | R | 51.1 | Low | 49.5 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.7 | -28.7 | -173.3 | -164.7 | 176.9 | -68.7 | 179.8 | -2 | 114.6 | N286 R287 R294 | N286-R290 VanDerWaalsContact O-CB 3.32Å; N286-R290 WeakPolarHBondContact O-CB 3.5Å; N286-R290 PolarHBondContact O-N 3.43Å; R287-R290 PolarHBondContact O-N 3.09Å; R290-R294 PolarHBondContact O-N 3.29Å |
| 291 | D | 49.6 | Very low | 48.8 | Very low | 93 Ų | 93 | 130 Ų | 130 | 50% | 0.497 | 67% | 0.667 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.8 | -27.6 | 172.2 | -69.9 | -47.8 | 0 | 0 | 0 | 112.4 | R287 R289 D293 R294 | R287-D291 WeakPolarHBondContact O-CB 3.42Å; R287-D291 PolarHBondContact O-N 3.31Å; R289-D291 VanDerWaalsContact C-N 3.3Å; R289-D291 PolarHBondContact O-N 2.6Å; D291-D293 VanDerWaalsContact C-N 3.34Å; D291-R294 PolarHBondContact O-N 3.08Å |
| 292 | R | 53.3 | Low | 48.2 | Very low | 212 Ų | 212 | 129.3 Ų | 129.3 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -70.8 | -33.7 | 171.8 | -155 | -178.4 | -164.1 | -169.6 | 3.8 | 111.1 | R289 R294 | R289-R292 WeakPolarHBondContact O-CA 3.43Å; R289-R292 WeakPolarHBondContact O-CB 3.48Å; R289-R292 PolarHBondContact O-N 2.98Å; R292-R294 PolarHBondContact O-N 3.49Å |
| 293 | D | 55.3 | Low | 47.6 | Very low | 83 Ų | 83 | 124 Ų | 124 | 44% | 0.444 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -76.2 | -5 | 175.1 | -57.8 | -52.6 | 0 | 0 | 0 | 113.6 | R289 D291 R327 | R289-D293 PolarHBondContact O-N 2.84Å; R289-D293 VanDerWaalsContact O-N 3.13Å; R289-D293 VanDerWaalsContact O-OD2 3.13Å; D291-D293 VanDerWaalsContact C-N 3.34Å; D293-R327 IonicContact OD1-CZ 2.7Å; D293-R327 IonicContact OD1-NH1 3.08Å; D293-R327 PolarHBondContact OD1-NH1 3.4Å; D293-R327 IonicContact OD1-NH2 2.65Å; D293-R327 PolarHBondContact OD1-NH2 2.87Å |
| 294 | R | 52.2 | Low | 47.2 | Very low | 195 Ų | 195 | 128.2 Ų | 128.2 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -110.7 | -2.4 | -173.2 | -136.8 | 176.4 | -165 | 175.4 | 3.3 | 115.5 | R290 D291 R292 | R290-R294 PolarHBondContact O-N 3.29Å; D291-R294 PolarHBondContact O-N 3.08Å; R292-R294 PolarHBondContact O-N 3.49Å |
| 295 | L | 51.7 | Low | 46.7 | Very low | 164 Ų | 164 | 133 Ų | 133 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -97.6 | 0.3 | 178.3 | -79.6 | 161.7 | 0 | 0 | 0 | 113.5 | ||
| 296 | E | 45.2 | Very low | 46.3 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -115.6 | 40 | 178.1 | -158.3 | -177.3 | -165.7 | 0 | 0 | 111.7 | ||
| 297 | G | 40.2 | Very low | 45.3 | Very low | 69 Ų | 69 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 173.9 | 100.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 298 | G | 36.6 | Very low | 44.5 | Very low | 75 Ų | 75 | 147 Ų | 147 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | 137.4 | 68 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 299 | L | 40.1 | Very low | 43.7 | Very low | 172 Ų | 172 | 150.4 Ų | 150.4 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 126.7 | 156.5 | -75.2 | 179.1 | 0 | 0 | 0 | 110.2 | ||||
| 300 | A | 39.7 | Very low | 43 | Very low | 115 Ų | 115 | 148.6 Ų | 148.6 | 95% | 0.95 | 78% | 0.783 | S | S | * | * | trans | 60.8 | 134.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 301 | G | 39.1 | Very low | 42.5 | Very low | 71 Ų | 71 | 145.7 Ų | 145.7 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | cis | 154.9 | 130.7 | -15.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 302 | S | 41 | Very low | 42.1 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | 64.6 | 136.6 | 164.1 | -161.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 303 | G | 38.8 | Very low | 41.7 | Very low | 71 Ų | 71 | 144.1 Ų | 144.1 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | trans | 168.7 | 32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 304 | S | 43.2 | Very low | 40.9 | Very low | 107 Ų | 107 | 143.7 Ų | 143.7 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | trans | 27.9 | 107.4 | 156.5 | -64 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 305 | K | 39.8 | Very low | 40.1 | Very low | 191 Ų | 191 | 138.9 Ų | 138.9 | 83% | 0.83 | 83% | 0.834 | S | S | * | * | 37.9 | 122.4 | 125 | -57.1 | 173.8 | 179.8 | 178.9 | 0 | 119.8 | |||||
| 306 | R | 41.2 | Very low | 39.3 | Very low | 247 Ų | 247 | 134.7 Ų | 134.7 | 93% | 0.932 | 83% | 0.831 | S | S | * | * | 177.7 | 150.3 | 116 | -94.9 | 150.9 | -172.1 | -178.3 | 2.8 | 114.2 | |||||
| 307 | N | 34.3 | Very low | 38.8 | Very low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | trans | -85.3 | 141.6 | 173.5 | -68.9 | 0.4 | 0 | 0 | 0 | 112.5 | ||||
| 308 | R | 37.3 | Very low | 38.6 | Very low | 238 Ų | 238 | 131.7 Ų | 131.7 | 90% | 0.898 | 84% | 0.844 | S | S | * | * | 171.2 | 120.9 | 129.2 | -92.7 | 166.1 | -177.4 | -167.5 | -0.6 | 106.4 | |||||
| 309 | R | 36.6 | Very low | 38.8 | Very low | 237 Ų | 237 | 135.9 Ų | 135.9 | 89% | 0.894 | 84% | 0.844 | S | S | * | * | 72.5 | 125.4 | 63.4 | -173.5 | -169.2 | -99.8 | -128.4 | 1.1 | 111.6 | |||||
| 310 | D | 37.4 | Very low | 38.6 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 83% | 0.833 | S | S | * | * | trans | 107.9 | 103.7 | 156.5 | -135.1 | 9.8 | 0 | 0 | 0 | 117.7 | ||||
| 311 | S | 40.6 | Very low | 38.8 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 43.4 | 126.7 | 134.8 | -48 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 312 | G | 40.5 | Very low | 39.1 | Very low | 72 Ų | 72 | 144.2 Ų | 144.2 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | 160.9 | 142.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 313 | E | 44.1 | Very low | 38.9 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 94% | 0.939 | 83% | 0.831 | S | S | * | * | trans | -55.3 | 159.6 | 169.5 | -64 | 130.5 | 87.6 | 0 | 0 | 112.1 | ||||
| 314 | G | 39.1 | Very low | 38.6 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | cis | 149.5 | 122.1 | 4.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 315 | G | 34.9 | Very low | 38.7 | Very low | 94 Ų | 94 | 142 Ų | 142 | 97% | 0.969 | 84% | 0.835 | S | S | * | * | trans | 70.4 | 45.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 316 | G | 35.5 | Very low | 39.1 | Very low | 76 Ų | 76 | 139.6 Ų | 139.6 | 78% | 0.784 | 83% | 0.831 | S | S | * | * | trans | -124.8 | 139.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 317 | G | 34.3 | Very low | 39.2 | Very low | 91 Ų | 91 | 136.6 Ų | 136.6 | 94% | 0.938 | 82% | 0.819 | S | S | * | * | trans | -70.3 | 148.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 318 | G | 36.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -169.3 | 145.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 319 | Q | 40.7 | Very low | 41 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -52.8 | 149.8 | -176 | -70.8 | 167.4 | -97.7 | 0 | 0 | 116.8 | ||||
| 320 | E | 37.3 | Very low | 42.2 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | 45.9 | 98 | 133.6 | -58.2 | 161.3 | -135.2 | 0 | 0 | 119.3 | ||||
| 321 | K | 42.9 | Very low | 43.6 | Very low | 193 Ų | 193 | 120.3 Ų | 120.3 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | 166.3 | 96.3 | 119.5 | -89.2 | 155.2 | -173.1 | 164.8 | 0 | 112.8 | |||||
| 322 | M | 45.6 | Very low | 45.1 | Very low | 196 Ų | 196 | 119.9 Ų | 119.9 | 97% | 0.966 | 75% | 0.749 | S | S | * | * | trans | -146.7 | 147.7 | 142.8 | -74.4 | -56.4 | 174.5 | 0 | 0 | 107.3 | ||||
| 323 | G | 35.9 | Very low | 46.9 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 79% | 0.794 | 73% | 0.733 | S | S | * | * | cis | 144.3 | 1.9 | 2.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 324 | G | 34.1 | Very low | 48.7 | Very low | 67 Ų | 67 | 114.4 Ų | 114.4 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | trans | -178.7 | 165.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 325 | S | 44.8 | Very low | 50.8 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | trans | 59.5 | 55.3 | 168.2 | -170.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 326 | N | 47.3 | Very low | 53.3 | Low | 139 Ų | 139 | 107.5 Ų | 107.5 | 74% | 0.743 | 63% | 0.629 | S | S | * | * | trans | -126.5 | 33.2 | 168.1 | -140.3 | 22 | 0 | 0 | 0 | 115.3 | V328 | N326-V328 PolarHBondContact O-N 3.48Å; N326-V328 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 327 | R | 43.4 | Very low | 55.6 | Low | 185 Ų | 185 | 110.2 Ų | 110.2 | 70% | 0.698 | 62% | 0.619 | S | S | * | * | trans | -71.7 | 80.6 | 155.2 | -81.6 | -168.5 | 174.5 | -171.2 | -3 | 108.4 | D293 E329 | D293-R327 IonicContact OD1-CZ 2.7Å; D293-R327 IonicContact OD1-NH1 3.08Å; D293-R327 PolarHBondContact OD1-NH1 3.4Å; D293-R327 IonicContact OD1-NH2 2.65Å; D293-R327 PolarHBondContact OD1-NH2 2.87Å; R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 3.43Å | ||
| 328 | V | 52.7 | Low | 58.1 | Low | 87 Ų | 87 | 112.2 Ų | 112.2 | 53% | 0.527 | 60% | 0.602 | S | S | . | * | trans | -69.9 | 94.2 | 171.3 | -175.2 | 0 | 0 | 0 | 0 | 107.6 | N326 | N326-V328 PolarHBondContact O-N 3.48Å; N326-V328 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 329 | E | 56.6 | Low | 60.4 | Low | 158 Ų | 158 | 109.3 Ų | 109.3 | 74% | 0.738 | 57% | 0.567 | S | S | * | * | trans | -51.6 | 125.2 | 165.6 | -168.5 | 66 | -150.1 | 0 | 0 | 107.4 | R327 R331 | R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 3.43Å; E329-R331 PolarHBondContact O-N 3.43Å | ||
| 330 | P | 62.9 | Low | 62.5 | Low | 103 Ų | 103 | 104 Ų | 104 | 67% | 0.669 | 54% | 0.543 | S | S | * | . | trans | -58.7 | 112.7 | -166 | 20.8 | -32.9 | 0 | 0 | 0 | 110.4 | K332 | P330-K332 PolarHBondContact O-N 2.67Š| ||
| 331 | R | 66.8 | Low | 64.5 | Low | 87 Ų | 87 | 103.1 Ų | 103.1 | 33% | 0.328 | 54% | 0.541 | S | S | . | . | trans | -53.1 | 128.6 | -176.7 | -63.7 | -177.7 | -177.2 | 159.7 | -3.1 | 108.9 | E329 L333 M353 E356 | E329-R331 PolarHBondContact O-N 3.43Å; R331-L333 PolarHBondContact O-N 2.87Å; R331-M353 HydrophobicContact CB-CE 3.84Å; R331-M353 HydrophobicContact CG-CE 4.39Å; R331-E356 IonicContact CZ-OE1 3.71Å; R331-E356 IonicContact CZ-OE2 2.74Å; R331-E356 IonicContact NH1-OE1 2.63Å; R331-E356 PolarHBondContact NH1-OE1 3.33Å; R331-E356 IonicContact NH1-OE2 2.68Å; R331-E356 PolarHBondContact NH1-OE2 3.12Å | ||
| 332 | K | 72.6 | Confident | 66.3 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 46% | 0.461 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 125.7 | 173.6 | -62 | 177.9 | -179.1 | -176.5 | 0 | 107.3 | P330 E334 S351 Y352 | P330-K332 PolarHBondContact O-N 2.67Å; K332-E334 PolarHBondContact O-N 2.73Å; K332-S351 WeakPolarHBondContact CB-O 3.35Å; K332-S351 PolarHBondContact N-O 2.85Å; K332-Y352 HydrophobicContact CB-CD1 4.07Å; K332-Y352 HydrophobicContact CB-CE1 4.16Å; K332-Y352 HydrophobicContact CD-CD1 4.23Å; K332-Y352 HydrophobicContact CD-CE1 3.57Å; K332-Y352 HydrophobicContact CD-CE2 4.32Å; K332-Y352 PolarHBondContact NZ-OH 3.42Å |
| 333 | L | 77 | Confident | 68 | Low | 78 Ų | 78 | 91.9 Ų | 91.9 | 41% | 0.408 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 62 | 179.9 | -56.5 | 94.1 | 0 | 0 | 0 | 110.4 | R331 Q385 V389 | R331-L333 PolarHBondContact O-N 2.87Å; L333-Q385 HydrophobicContact CD2-CB 4.23Å; L333-V389 HydrophobicContact CB-CG1 4.44Å; L333-V389 HydrophobicContact CB-CG2 3.45Å; L333-V389 VanDerWaalsContact CB-CG2 3.45Å; L333-V389 HydrophobicContact CD2-CG2 4.06Å; L333-V389 HydrophobicContact CG-CG2 4.39Å; L333-V389 WeakPolarHBondContact O-CG1 3.38Å; L333-V389 WeakPolarHBondContact O-CG2 3.31Å |
| 334 | E | 82.1 | Confident | 70.5 | Confident | 80 Ų | 80 | 88.8 Ų | 88.8 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 146.1 | 178.5 | -62.8 | -176 | 147.4 | 0 | 0 | 107.9 | K332 Y352 M353 K392 | K332-E334 PolarHBondContact O-N 2.73Å; E334-Y352 HydrophobicContact CB-CD1 4.12Å; E334-Y352 HydrophobicContact CB-CE1 4.45Å; E334-M353 PolarHBondContact O-N 2.74Å; E334-K392 IonicContact OE1-NZ 3.39Å; E334-K392 PolarHBondContact OE1-NZ 3.07Å |
| 335 | L | 83.9 | Confident | 72.9 | Confident | 20 Ų | 20 | 90.3 Ų | 90.3 | 11% | 0.105 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 136.1 | 179.2 | 179.5 | 62.5 | 0 | 0 | 0 | 110.9 | K337 Y339 L340 F357 F376 I401 | L335-K337 PolarHBondContact O-N 2.97Å; L335-Y339 HydrophobicContact CD1-CD1 4.18Å; L335-L340 HydrophobicContact CD2-CB 4.36Å; L335-L340 HydrophobicContact CD2-CD1 4.29Å; L335-F357 HydrophobicContact CB-CD2 3.85Å; L335-F357 HydrophobicContact CB-CE2 4.01Å; L335-F357 HydrophobicContact CB-CG 4.16Å; L335-F357 HydrophobicContact CB-CZ 4.45Å; L335-F357 HydrophobicContact CD1-CB 3.93Å; L335-F357 HydrophobicContact CD1-CD1 4.41Å; L335-F357 HydrophobicContact CD1-CD2 4.48Å; L335-F357 HydrophobicContact CD1-CG 4.02Å; L335-F376 HydrophobicContact CD1-CD1 4.43Å; L335-F376 HydrophobicContact CD1-CE1 3.77Å; L335-F376 HydrophobicContact CD2-CE1 3.76Å; L335-F376 HydrophobicContact CD2-CZ 4.2Å; L335-F376 HydrophobicContact CG-CE1 4.44Å; L335-I401 HydrophobicContact CD2-CG2 4.3Å |
| 336 | C | 86.5 | Confident | 74.7 | Confident | 2 Ų | 2 | 90.8 Ų | 90.8 | 1% | 0.014 | 46% | 0.455 | C | S | . | . | trans | -69.8 | 116.3 | 172.9 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | F338 Y339 L340 C344 M353 H354 | C336-F338 PolarHBondContact O-N 2.82Å; C336-Y339 PolarHBondContact O-N 2.86Å; C336-L340 PolarHBondContact O-N 3.3Å; C336-L340 VanDerWaalsContact O-N 3.16Å; C336-C344 PolarHBondContact SG-SG 3.38Å; C336-M353 PolarHBondContact N-O 3.1Å; C336-H354 VanDerWaalsContact CB-CD2 3.41Å; C336-H354 WeakPolarHBondContact CB-CD2 3.32Å; C336-H354 WeakPolarHBondContact CB-NE2 3.15Å | ||
| 337 | K | 84.3 | Confident | 76.2 | Confident | 134 Ų | 134 | 93.1 Ų | 93.1 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -55.7 | -35.2 | 176.7 | -176.3 | 170.9 | -179.8 | 170.8 | 0 | 112.4 | L335 M341 | L335-K337 PolarHBondContact O-N 2.97Å; K337-M341 WeakPolarHBondContact O-CG 3.46Å |
| 338 | F | 86.1 | Confident | 77.9 | Confident | 132 Ų | 132 | 90.7 Ų | 90.7 | 58% | 0.579 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75 | -22 | 177.4 | -57.6 | -79.6 | 0 | 0 | 0 | 113.5 | C336 D342 C343 C344 | C336-F338 PolarHBondContact O-N 2.82Å; F338-D342 CarbonylContact O-C 3.52Å; F338-D342 PolarHBondContact O-N 3.38Å; F338-C343 CarbonylContact O-C 3.56Å; F338-C343 PolarHBondContact O-N 3.33Å; F338-C344 HydrophobicContact CB-CB 3.91Å; F338-C344 PolarHBondContact O-N 3.48Å |
| 339 | Y | 86 | Confident | 79.3 | Confident | 19 Ų | 19 | 95.3 Ų | 95.3 | 8% | 0.075 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -81.5 | -31.5 | 175.4 | 178 | -103.4 | 0 | 0 | 0 | 111.7 | L335 C336 M341 D342 H354 K355 L375 | L335-Y339 HydrophobicContact CD1-CD1 4.18Å; C336-Y339 PolarHBondContact O-N 2.86Å; Y339-M341 PolarHBondContact O-N 2.86Å; Y339-D342 PolarHBondContact O-N 3.38Å; Y339-D342 VanDerWaalsContact O-N 3.09Å; Y339-H354 HydrophobicContact CD1-CB 3.95Å; Y339-H354 HydrophobicContact CD2-CB 3.82Å; Y339-H354 AromaticContact CD2-CG 3.72Å; Y339-H354 AromaticContact CD2-ND1 3.8Å; Y339-H354 HydrophobicContact CE1-CB 4.17Å; Y339-H354 HydrophobicContact CE2-CB 4.06Å; Y339-H354 HydrophobicContact CG-CB 3.78Å; Y339-H354 AromaticContact CG-CD2 3.84Å; Y339-H354 AromaticContact CG-CG 3.68Å; Y339-K355 HydrophobicContact CE2-CG 4.37Å; Y339-K355 WeakPolarHBondContact OH-CE 3.25Å; Y339-K355 WeakPolarHBondContact OH-CG 3.32Å; Y339-L375 HydrophobicContact CE1-CB 4.38Å; Y339-L375 WeakPolarHBondContact CE1-O 3.39Å; Y339-L375 PolarHBondContact OH-O 2.75Å |
| 340 | L | 83.9 | Confident | 80.7 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 28% | 0.283 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.8 | -23.2 | 169.4 | -177.6 | 67.7 | 0 | 0 | 0 | 112.9 | L335 C336 F376 I401 | L335-L340 HydrophobicContact CD2-CB 4.36Å; L335-L340 HydrophobicContact CD2-CD1 4.29Å; C336-L340 PolarHBondContact O-N 3.3Å; C336-L340 VanDerWaalsContact O-N 3.16Å; L340-F376 HydrophobicContact CD1-CZ 4.03Å; L340-I401 HydrophobicContact CD2-CB 4.16Å; L340-I401 HydrophobicContact CD2-CG1 3.9Å; L340-I401 HydrophobicContact CD2-CG2 3.67Å |
| 341 | M | 79.2 | Confident | 81.7 | Confident | 124 Ų | 124 | 86 Ų | 86 | 61% | 0.611 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 7.7 | 176.5 | -57.1 | -62.2 | -56.4 | 0 | 0 | 112.5 | K337 Y339 C343 | K337-M341 WeakPolarHBondContact O-CG 3.46Å; Y339-M341 PolarHBondContact O-N 2.86Å; M341-C343 HydrophobicContact CB-CB 4.49Å; M341-C343 PolarHBondContact O-N 3.24Å; M341-C343 PolarHBondContact O-SG 3.39Å |
| 342 | D | 81.7 | Confident | 82.4 | Confident | 109 Ų | 109 | 85.9 Ų | 85.9 | 58% | 0.583 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 57.2 | -18.6 | -168.7 | -70.4 | -58.4 | 0 | 0 | 0 | 117.7 | F338 Y339 C344 | F338-D342 CarbonylContact O-C 3.52Å; F338-D342 PolarHBondContact O-N 3.38Å; Y339-D342 PolarHBondContact O-N 3.38Å; Y339-D342 VanDerWaalsContact O-N 3.09Å; D342-C344 PolarHBondContact O-N 3.3Å |
| 343 | C | 81.3 | Confident | 82.9 | Confident | 44 Ų | 44 | 81.5 Ų | 81.5 | 30% | 0.297 | 40% | 0.404 | S | S | . | . | trans | -58.5 | 20.5 | 175.9 | -57.3 | 0 | 0 | 0 | 0 | 117.4 | F338 M341 A345 E891 | F338-C343 CarbonylContact O-C 3.56Å; F338-C343 PolarHBondContact O-N 3.33Å; M341-C343 HydrophobicContact CB-CB 4.49Å; M341-C343 PolarHBondContact O-N 3.24Å; M341-C343 PolarHBondContact O-SG 3.39Å; C343-A345 PolarHBondContact O-N 2.89Å; C343-E891 WeakPolarHBondContact CA-OE2 3.41Å; C343-E891 WeakPolarHBondContact CB-OE1 3.49Å; C343-E891 PolarHBondContact SG-OE1 2.9Å | ||
| 344 | C | 86.9 | Confident | 83.4 | Confident | 13 Ų | 13 | 79 Ų | 79 | 9% | 0.088 | 39% | 0.39 | C | S | . | . | trans | -86.7 | 82.2 | -172.3 | -158.8 | 0 | 0 | 0 | 0 | 114.4 | C336 F338 D342 K346 R347 H354 | C336-C344 PolarHBondContact SG-SG 3.38Å; F338-C344 HydrophobicContact CB-CB 3.91Å; F338-C344 PolarHBondContact O-N 3.48Å; D342-C344 PolarHBondContact O-N 3.3Å; C344-K346 PolarHBondContact O-N 3.39Å; C344-R347 PolarHBondContact O-N 3.32Å; C344-H354 PolarHBondContact SG-CE1 3.34Å; C344-H354 PolarHBondContact SG-NE2 3.28Å | ||
| 345 | A | 84.9 | Confident | 83.4 | Confident | 99 Ų | 99 | 82 Ų | 82 | 82% | 0.818 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -21.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | C343 | C343-A345 PolarHBondContact O-N 2.89Š|
| 346 | K | 82.1 | Confident | 83.3 | Confident | 134 Ų | 134 | 85.2 Ų | 85.2 | 58% | 0.583 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -17.5 | 179.7 | -67.6 | -172.3 | 177.6 | -178.7 | 0 | 114.8 | C344 D348 K349 C350 | C344-K346 PolarHBondContact O-N 3.39Å; K346-D348 PolarHBondContact O-N 2.89Å; K346-K349 WeakPolarHBondContact O-CA 3.14Å; K346-K349 WeakPolarHBondContact O-CB 3.41Å; K346-K349 PolarHBondContact O-N 2.71Å; K346-C350 HydrophobicContact CB-CB 3.98Å |
| 347 | R | 80.2 | Confident | 83.2 | Confident | 187 Ų | 187 | 85.4 Ų | 85.4 | 71% | 0.706 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | 37.9 | -123.3 | -176.8 | -58.8 | -174.5 | -174.9 | 172.4 | 2.7 | 111.6 | C344 K349 C350 H354 | C344-R347 PolarHBondContact O-N 3.32Å; R347-K349 PolarHBondContact O-N 3.22Å; R347-C350 WeakPolarHBondContact O-CB 3.32Å; R347-C350 PolarHBondContact O-N 3.45Å; R347-H354 PolarHBondContact O-CE1 3.01Å; R347-H354 PolarHBondContact O-ND1 3.28Å |
| 348 | D | 78.2 | Confident | 83.2 | Confident | 135 Ų | 135 | 79 Ų | 79 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -72.2 | -11 | -173.6 | -40.7 | -73.2 | 0 | 0 | 0 | 114.4 | K346 C350 | K346-D348 PolarHBondContact O-N 2.89Å; D348-C350 VanDerWaalsContact C-N 3.32Å |
| 349 | K | 81.9 | Confident | 83.3 | Confident | 183 Ų | 183 | 72.8 Ų | 72.8 | 80% | 0.796 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -89.7 | 6.3 | 172.4 | -53.4 | 178 | -170.5 | -70.2 | 0 | 112.3 | K346 R347 | K346-K349 WeakPolarHBondContact O-CA 3.14Å; K346-K349 WeakPolarHBondContact O-CB 3.41Å; K346-K349 PolarHBondContact O-N 2.71Å; R347-K349 PolarHBondContact O-N 3.22Å |
| 350 | C | 86.5 | Confident | 83.2 | Confident | 9 Ų | 9 | 73 Ų | 73 | 6% | 0.061 | 36% | 0.363 | C | S | . | . | trans | -69.3 | 140.2 | 178.8 | -164.7 | 0 | 0 | 0 | 0 | 112 | K346 R347 D348 Y352 H354 | K346-C350 HydrophobicContact CB-CB 3.98Å; R347-C350 WeakPolarHBondContact O-CB 3.32Å; R347-C350 PolarHBondContact O-N 3.45Å; D348-C350 VanDerWaalsContact C-N 3.32Å; C350-Y352 PolarHBondContact O-N 3.28Å; C350-H354 WeakPolarHBondContact CB-NE2 3.37Å; C350-H354 PolarHBondContact SG-NE2 3.46Å | ||
| 351 | S | 83.1 | Confident | 83.3 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 41% | 0.406 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -78.3 | 5.1 | 175.7 | -42.6 | 0 | 0 | 0 | 0 | 113.6 | K332 | K332-S351 WeakPolarHBondContact CB-O 3.35Å; K332-S351 PolarHBondContact N-O 2.85Å |
| 352 | Y | 82.4 | Confident | 83.7 | Confident | 84 Ų | 84 | 69.9 Ų | 69.9 | 33% | 0.329 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 157.3 | -175.7 | -67.4 | -87.8 | 0 | 0 | 0 | 109.3 | K332 E334 C350 | K332-Y352 HydrophobicContact CB-CD1 4.07Å; K332-Y352 HydrophobicContact CB-CE1 4.16Å; K332-Y352 HydrophobicContact CD-CD1 4.23Å; K332-Y352 HydrophobicContact CD-CE1 3.57Å; K332-Y352 HydrophobicContact CD-CE2 4.32Å; K332-Y352 PolarHBondContact NZ-OH 3.42Å; E334-Y352 HydrophobicContact CB-CD1 4.12Å; E334-Y352 HydrophobicContact CB-CE1 4.45Å; C350-Y352 PolarHBondContact O-N 3.28Å |
| 353 | M | 83.3 | Confident | 83.9 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.064 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 138.3 | -176.1 | -56.3 | -85.4 | 80.7 | 0 | 0 | 112 | R331 E334 C336 E356 F357 | R331-M353 HydrophobicContact CB-CE 3.84Å; R331-M353 HydrophobicContact CG-CE 4.39Å; E334-M353 PolarHBondContact O-N 2.74Å; C336-M353 PolarHBondContact N-O 3.1Å; M353-E356 WeakPolarHBondContact CE-OE2 3.4Å; M353-E356 HydrophobicContact SD-CB 4.21Å; M353-F357 HydrophobicContact CB-CB 3.97Å; M353-F357 HydrophobicContact CB-CD2 4.26Å |
| 354 | H | 86.4 | Confident | 84 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 12% | 0.116 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -108.7 | -120.6 | 172.1 | -68.9 | -168.8 | 0 | 0 | 0 | 109.7 | C336 Y339 C344 R347 C350 E356 F357 | C336-H354 VanDerWaalsContact CB-CD2 3.41Å; C336-H354 WeakPolarHBondContact CB-CD2 3.32Å; C336-H354 WeakPolarHBondContact CB-NE2 3.15Å; Y339-H354 HydrophobicContact CD1-CB 3.95Å; Y339-H354 HydrophobicContact CD2-CB 3.82Å; Y339-H354 AromaticContact CD2-CG 3.72Å; Y339-H354 AromaticContact CD2-ND1 3.8Å; Y339-H354 HydrophobicContact CE1-CB 4.17Å; Y339-H354 HydrophobicContact CE2-CB 4.06Å; Y339-H354 HydrophobicContact CG-CB 3.78Å; Y339-H354 AromaticContact CG-CD2 3.84Å; Y339-H354 AromaticContact CG-CG 3.68Å; C344-H354 PolarHBondContact SG-CE1 3.34Å; C344-H354 PolarHBondContact SG-NE2 3.28Å; R347-H354 PolarHBondContact O-CE1 3.01Å; R347-H354 PolarHBondContact O-ND1 3.28Å; C350-H354 WeakPolarHBondContact CB-NE2 3.37Å; C350-H354 PolarHBondContact SG-NE2 3.46Å; H354-E356 PolarHBondContact O-N 3.43Å; H354-F357 WeakPolarHBondContact O-CB 3.4Å; H354-F357 PolarHBondContact O-N 2.91Å |
| 355 | K | 83.5 | Confident | 83.8 | Confident | 144 Ų | 144 | 64.7 Ų | 64.7 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -16.3 | 173.9 | -68.2 | -172 | 179.5 | -150 | 0 | 115 | Y339 F357 Y377 | Y339-K355 HydrophobicContact CE2-CG 4.37Å; Y339-K355 WeakPolarHBondContact OH-CE 3.25Å; Y339-K355 WeakPolarHBondContact OH-CG 3.32Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-Y377 WeakPolarHBondContact O-CA 3.3Å; K355-Y377 VanDerWaalsContact O-CB 3.32Å; K355-Y377 WeakPolarHBondContact O-CB 3.3Å; K355-Y377 PolarHBondContact O-N 2.96Å |
| 356 | E | 80.3 | Confident | 83.5 | Confident | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -13.7 | 175.2 | -62.1 | 173.1 | 175.4 | 0 | 0 | 113.7 | R331 M353 H354 | R331-E356 IonicContact CZ-OE1 3.71Å; R331-E356 IonicContact CZ-OE2 2.74Å; R331-E356 IonicContact NH1-OE1 2.63Å; R331-E356 PolarHBondContact NH1-OE1 3.33Å; R331-E356 IonicContact NH1-OE2 2.68Å; R331-E356 PolarHBondContact NH1-OE2 3.12Å; M353-E356 WeakPolarHBondContact CE-OE2 3.4Å; M353-E356 HydrophobicContact SD-CB 4.21Å; H354-E356 PolarHBondContact O-N 3.43Å |
| 357 | F | 84.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 64 Ų | 64 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -74.1 | 130 | 178.8 | -171.5 | -88.1 | 0 | 0 | 0 | 110.5 | L335 M353 H354 K355 C359 F376 Y377 V389 L390 H393 | L335-F357 HydrophobicContact CB-CD2 3.85Å; L335-F357 HydrophobicContact CB-CE2 4.01Å; L335-F357 HydrophobicContact CB-CG 4.16Å; L335-F357 HydrophobicContact CB-CZ 4.45Å; L335-F357 HydrophobicContact CD1-CB 3.93Å; L335-F357 HydrophobicContact CD1-CD1 4.41Å; L335-F357 HydrophobicContact CD1-CD2 4.48Å; L335-F357 HydrophobicContact CD1-CG 4.02Å; M353-F357 HydrophobicContact CB-CB 3.97Å; M353-F357 HydrophobicContact CB-CD2 4.26Å; H354-F357 WeakPolarHBondContact O-CB 3.4Å; H354-F357 PolarHBondContact O-N 2.91Å; K355-F357 VanDerWaalsContact C-N 3.34Å; F357-C359 PolarHBondContact O-N 3.34Å; F357-F376 HydrophobicContact CB-CD1 4.26Å; F357-F376 AromaticContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CE1 4.15Å; F357-F376 HydrophobicContact CG-CD1 4.5Å; F357-F376 WeakPolarHBondContact O-CB 3.49Å; F357-Y377 PolarHBondContact O-N 2.98Å; F357-V389 HydrophobicContact CD2-CG1 4.37Å; F357-V389 HydrophobicContact CE2-CG1 3.76Å; F357-L390 HydrophobicContact CE1-CD1 4.16Å; F357-L390 HydrophobicContact CZ-CD1 4.37Å; F357-H393 HydrophobicContact CZ-CB 3.94Å; F357-H393 AromaticContact CZ-CD2 3.8Å; F357-H393 AromaticContact CZ-CG 3.71Å |
| 358 | P | 85.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -64.9 | 131.4 | -173.6 | 24.5 | -35.2 | 0 | 0 | 0 | 113.7 | K360 Y363 L382 L390 | P358-K360 PolarHBondContact O-N 3.45Å; P358-Y363 HydrophobicContact CB-CD2 3.67Å; P358-Y363 HydrophobicContact CB-CE2 3.84Å; P358-L382 HydrophobicContact CB-CD1 3.77Å; P358-L382 HydrophobicContact CB-CD2 3.8Å; P358-L382 HydrophobicContact CB-CG 4.47Å; P358-L382 HydrophobicContact CG-CD2 4.09Å; P358-L390 HydrophobicContact CB-CD2 4.46Å; P358-L390 HydrophobicContact CG-CB 3.9Å; P358-L390 HydrophobicContact CG-CD1 4.35Å; P358-L390 HydrophobicContact CG-CD2 4.48Å; P358-L390 HydrophobicContact CG-CG 4.46Å |
| 359 | C | 87.3 | Confident | 83.6 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 120.3 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 112 | F357 Y361 Y363 C368 F376 Y377 H378 | F357-C359 PolarHBondContact O-N 3.34Å; C359-Y361 VanDerWaalsContact C-N 3.31Å; C359-Y361 PolarHBondContact O-N 3.49Å; C359-Y363 WeakPolarHBondContact O-CD2 3.2Å; C359-Y363 PolarHBondContact O-N 3.45Å; C359-Y363 VanDerWaalsContact O-N 3.11Å; C359-C368 VanDerWaalsContact SG-SG 3.64Å; C359-F376 HydrophobicContact CB-CB 3.69Å; C359-Y377 WeakPolarHBondContact CB-O 3.25Å; C359-Y377 PolarHBondContact N-O 2.89Å; C359-H378 WeakPolarHBondContact CB-CD2 2.99Å; C359-H378 WeakPolarHBondContact CB-NE2 3.49Å; C359-H378 PolarHBondContact SG-NE2 2.74Å |
| 360 | K | 85.1 | Confident | 83.4 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 10% | 0.096 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.5 | -37.1 | -179.2 | -173.6 | 179.5 | 178.2 | -175 | 0 | 113.8 | P358 L364 L390 M394 F405 | P358-K360 PolarHBondContact O-N 3.45Å; K360-L364 WeakPolarHBondContact O-CB 3.34Å; K360-L364 WeakPolarHBondContact O-CD1 3.1Å; K360-L364 PolarHBondContact O-N 2.78Å; K360-L390 HydrophobicContact CB-CD1 4.17Å; K360-L390 HydrophobicContact CG-CD1 4.42Å; K360-M394 HydrophobicContact CD-CG 4.44Å; K360-M394 HydrophobicContact CG-SD 4.38Å; K360-F405 HydrophobicContact CD-CD2 3.94Å; K360-F405 HydrophobicContact CD-CE2 4.08Å; K360-F405 HydrophobicContact CD-CG 4.23Å; K360-F405 VanDerWaalsContact CE-CD2 3.4Å; K360-F405 VanDerWaalsContact CE-CE1 3.49Å; K360-F405 HydrophobicContact CG-CD2 4.39Å; K360-F405 HydrophobicContact CG-CE2 4.07Å; K360-F405 HydrophobicContact CG-CZ 4.45Å; K360-F405 VanDerWaalsContact NZ-CB 3.27Å |
| 361 | Y | 85.4 | Confident | 83.1 | Confident | 62 Ų | 62 | 55 Ų | 55 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -72.5 | -58.4 | -178.6 | -66.8 | -93.4 | 0 | 0 | 0 | 110.3 | C359 Y363 L364 G365 M366 Y369 F405 | C359-Y361 VanDerWaalsContact C-N 3.31Å; C359-Y361 PolarHBondContact O-N 3.49Å; Y361-Y363 PolarHBondContact O-N 3.19Å; Y361-L364 PolarHBondContact O-N 3.26Å; Y361-L364 VanDerWaalsContact O-N 3.09Å; Y361-G365 PolarHBondContact O-N 2.82Å; Y361-M366 CarbonylContact C-O 3.59Å; Y361-M366 HydrophobicContact CD1-CE 3.54Å; Y361-M366 HydrophobicContact CE1-CE 3.77Å; Y361-M366 PolarHBondContact O-N 2.88Å; Y361-Y369 HydrophobicContact CD1-CE2 4.38Å; Y361-Y369 HydrophobicContact CE1-CD2 4.29Å; Y361-Y369 AromaticContact CE1-CE2 3.94Å; Y361-Y369 HydrophobicContact CE1-CE2 3.94Å; Y361-F405 HydrophobicContact CE1-CD2 4.06Å; Y361-F405 HydrophobicContact CE1-CE2 4.35Å; Y361-F405 AromaticContact CZ-CD2 3.99Å |
| 362 | Y | 86.6 | Confident | 82.7 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 20% | 0.204 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.3 | -46.7 | -178.2 | -176.1 | -92.9 | 0 | 0 | 0 | 113.1 | G365 H378 G379 R420 L424 | Y362-G365 PolarHBondContact O-N 3.47Å; Y362-H378 WeakPolarHBondContact CB-CD2 3.17Å; Y362-H378 WeakPolarHBondContact CB-NE2 3.49Å; Y362-H378 HydrophobicContact CD2-CB 4.29Å; Y362-H378 AromaticContact CD2-CD2 3.7Å; Y362-H378 AromaticContact CD2-CG 3.86Å; Y362-H378 HydrophobicContact CE1-CB 4.49Å; Y362-H378 HydrophobicContact CE2-CB 4.17Å; Y362-H378 HydrophobicContact CG-CB 4.48Å; Y362-H378 AromaticContact CG-CD2 3.45Å; Y362-H378 VanDerWaalsContact CG-CD2 3.45Å; Y362-H378 AromaticContact CG-NE2 3.9Å; Y362-G379 PolarHBondContact OH-N 3.43Å; Y362-R420 WeakPolarHBondContact O-CG 3.4Å; Y362-R420 PolarHBondContact O-NE 3.1Å; Y362-L424 HydrophobicContact CE1-CD1 3.88Å; Y362-L424 HydrophobicContact CE1-CD2 3.98Å; Y362-L424 WeakPolarHBondContact OH-CD2 3.16Å |
| 363 | Y | 85.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78 | -15 | -178.5 | -74.4 | -68.7 | 0 | 0 | 0 | 114.6 | P358 C359 Y361 G365 Y377 E380 L382 M417 L424 | P358-Y363 HydrophobicContact CB-CD2 3.67Å; P358-Y363 HydrophobicContact CB-CE2 3.84Å; C359-Y363 WeakPolarHBondContact O-CD2 3.2Å; C359-Y363 PolarHBondContact O-N 3.45Å; C359-Y363 VanDerWaalsContact O-N 3.11Å; Y361-Y363 PolarHBondContact O-N 3.19Å; Y363-G365 VanDerWaalsContact C-N 3.32Å; Y363-Y377 HydrophobicContact CE2-CD1 4.27Å; Y363-Y377 WeakPolarHBondContact CE2-O 3.09Å; Y363-Y377 VanDerWaalsContact OH-CD1 3.26Å; Y363-Y377 WeakPolarHBondContact OH-CD1 3.4Å; Y363-Y377 WeakPolarHBondContact OH-CE1 3.39Å; Y363-E380 WeakPolarHBondContact CE1-O 3.34Å; Y363-E380 PolarHBondContact OH-O 2.97Å; Y363-L382 HydrophobicContact CD1-CB 4.14Å; Y363-L382 HydrophobicContact CD2-CD1 4.4Å; Y363-L382 HydrophobicContact CE1-CB 3.86Å; Y363-L382 HydrophobicContact CE1-CD1 4.03Å; Y363-L382 HydrophobicContact CE1-CG 4.43Å; Y363-L382 HydrophobicContact CE2-CD1 3.84Å; Y363-M417 VanDerWaalsContact O-CA 3.29Å; Y363-M417 WeakPolarHBondContact O-CA 3.44Å; Y363-L424 HydrophobicContact CD1-CD1 3.93Å; Y363-L424 HydrophobicContact CE1-CD1 3.49Å; Y363-L424 VanDerWaalsContact CE1-CD1 3.49Å |
| 364 | L | 84.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 4 | 167.8 | -89.3 | 63.1 | 0 | 0 | 0 | 112.6 | K360 Y361 M366 L390 M394 F405 A413 Q416 | K360-L364 WeakPolarHBondContact O-CB 3.34Å; K360-L364 WeakPolarHBondContact O-CD1 3.1Å; K360-L364 PolarHBondContact O-N 2.78Å; Y361-L364 PolarHBondContact O-N 3.26Å; Y361-L364 VanDerWaalsContact O-N 3.09Å; L364-M366 VanDerWaalsContact C-N 3.32Å; L364-L390 HydrophobicContact CD1-CD2 4.06Å; L364-M394 HydrophobicContact CD1-SD 4.09Å; L364-M394 HydrophobicContact CD2-CE 3.8Å; L364-M394 HydrophobicContact CD2-SD 3.78Å; L364-F405 HydrophobicContact CD2-CE1 4.4Å; L364-F405 HydrophobicContact CD2-CZ 3.66Å; L364-A413 HydrophobicContact CD2-CB 4.21Å; L364-Q416 HydrophobicContact CB-CB 4.5Å; L364-Q416 HydrophobicContact CG-CB 4.46Å; L364-Q416 WeakPolarHBondContact O-CB 3.18Å |
| 365 | G | 81.4 | Confident | 82.2 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 32.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y361 Y362 Y363 | Y361-G365 PolarHBondContact O-N 2.82Å; Y362-G365 PolarHBondContact O-N 3.47Å; Y363-G365 VanDerWaalsContact C-N 3.32Å |
| 366 | M | 79.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 61 Ų | 61 | 32% | 0.32 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -107.9 | 146 | 164 | -50.1 | -162.9 | -36 | 0 | 0 | 108.7 | Y361 L364 C368 F405 | Y361-M366 CarbonylContact C-O 3.59Å; Y361-M366 HydrophobicContact CD1-CE 3.54Å; Y361-M366 HydrophobicContact CE1-CE 3.77Å; Y361-M366 PolarHBondContact O-N 2.88Å; L364-M366 VanDerWaalsContact C-N 3.32Å; M366-C368 PolarHBondContact O-N 3.18Å; M366-F405 HydrophobicContact CE-CD2 4.3Å; M366-F405 HydrophobicContact CE-CE2 3.6Å; M366-F405 HydrophobicContact CE-CZ 4.28Å |
| 367 | D | 78.5 | Confident | 82.3 | Confident | 153 Ų | 153 | 60.4 Ų | 60.4 | 82% | 0.818 | 32% | 0.321 | S | S | * | . | trans | -62.2 | 131.8 | 178.4 | -52.8 | -60.8 | 0 | 0 | 0 | 110.3 | ||||
| 368 | C | 84.3 | Confident | 82.1 | Confident | 27 Ų | 27 | 61.9 Ų | 61.9 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -83.9 | 122.7 | 176.9 | -173 | 0 | 0 | 0 | 0 | 109.3 | C359 M366 A370 G371 C374 | C359-C368 VanDerWaalsContact SG-SG 3.64Å; M366-C368 PolarHBondContact O-N 3.18Å; C368-A370 PolarHBondContact O-N 3.44Å; C368-G371 PolarHBondContact O-N 3Å; C368-C374 VanDerWaalsContact SG-SG 3.65Å | ||
| 369 | Y | 79.4 | Confident | 81.7 | Confident | 215 Ų | 215 | 62.9 Ų | 62.9 | 84% | 0.843 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22.4 | 177.9 | -62.4 | -75.2 | 0 | 0 | 0 | 114.4 | Y361 | Y361-Y369 HydrophobicContact CD1-CE2 4.38Å; Y361-Y369 HydrophobicContact CE1-CD2 4.29Å; Y361-Y369 AromaticContact CE1-CE2 3.94Å; Y361-Y369 HydrophobicContact CE1-CE2 3.94Å |
| 370 | A | 78.1 | Confident | 81.3 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -1.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | C368 D372 D373 C374 | C368-A370 PolarHBondContact O-N 3.44Å; A370-D372 PolarHBondContact O-N 3.29Å; A370-D373 WeakPolarHBondContact O-CA 3.28Å; A370-D373 PolarHBondContact O-N 3.41Å; A370-C374 HydrophobicContact CB-CB 4.06Å |
| 371 | G | 80.1 | Confident | 80.8 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 40% | 0.402 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | -127 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | C368 H378 | C368-G371 PolarHBondContact O-N 3Å; G371-H378 PolarHBondContact O-CE1 2.99Å; G371-H378 PolarHBondContact O-ND1 3.05Å |
| 372 | D | 74.8 | Confident | 80.5 | Confident | 159 Ų | 159 | 63.9 Ų | 63.9 | 85% | 0.85 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18 | 176.1 | -63.2 | -45.6 | 0 | 0 | 0 | 113.2 | A370 C374 | A370-D372 PolarHBondContact O-N 3.29Å; D372-C374 PolarHBondContact O-N 3.32Å; D372-C374 VanDerWaalsContact O-N 3.16Å |
| 373 | D | 76.6 | Confident | 80.2 | Confident | 150 Ų | 150 | 64 Ų | 64 | 80% | 0.802 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -82.1 | 21 | 179.1 | -63.5 | -52.9 | 0 | 0 | 0 | 113.4 | A370 | A370-D373 WeakPolarHBondContact O-CA 3.28Å; A370-D373 PolarHBondContact O-N 3.41Å |
| 374 | C | 83.9 | Confident | 79.9 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.155 | 38% | 0.375 | C | S | . | . | trans | -69.5 | 134.8 | -176.5 | -161.6 | 0 | 0 | 0 | 0 | 112.4 | C368 A370 D372 F376 H378 | C368-C374 VanDerWaalsContact SG-SG 3.65Å; A370-C374 HydrophobicContact CB-CB 4.06Å; D372-C374 PolarHBondContact O-N 3.32Å; D372-C374 VanDerWaalsContact O-N 3.16Å; C374-F376 PolarHBondContact O-N 3.22Å; C374-F376 VanDerWaalsContact O-N 3.09Å; C374-H378 WeakPolarHBondContact CB-CE1 3.28Å | ||
| 375 | L | 80.9 | Confident | 79.7 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -61.2 | -15.7 | 170.4 | -87.2 | 71.2 | 0 | 0 | 0 | 113 | Y339 | Y339-L375 HydrophobicContact CE1-CB 4.38Å; Y339-L375 WeakPolarHBondContact CE1-O 3.39Å; Y339-L375 PolarHBondContact OH-O 2.75Å |
| 376 | F | 83.1 | Confident | 79.7 | Confident | 54 Ų | 54 | 73.7 Ų | 73.7 | 24% | 0.237 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -114.4 | 156 | -175.8 | -57.1 | -69.2 | 0 | 0 | 0 | 111.7 | L335 L340 F357 C359 C374 H378 | L335-F376 HydrophobicContact CD1-CD1 4.43Å; L335-F376 HydrophobicContact CD1-CE1 3.77Å; L335-F376 HydrophobicContact CD2-CE1 3.76Å; L335-F376 HydrophobicContact CD2-CZ 4.2Å; L335-F376 HydrophobicContact CG-CE1 4.44Å; L340-F376 HydrophobicContact CD1-CZ 4.03Å; F357-F376 HydrophobicContact CB-CD1 4.26Å; F357-F376 AromaticContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CE1 4.15Å; F357-F376 HydrophobicContact CG-CD1 4.5Å; F357-F376 WeakPolarHBondContact O-CB 3.49Å; C359-F376 HydrophobicContact CB-CB 3.69Å; C374-F376 PolarHBondContact O-N 3.22Å; C374-F376 VanDerWaalsContact O-N 3.09Å; F376-H378 PolarHBondContact O-N 3.4Å |
| 377 | Y | 83.6 | Confident | 80 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 29% | 0.294 | 38% | 0.381 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 127.1 | -173.9 | -168.6 | -110.8 | 0 | 0 | 0 | 112.8 | K355 F357 C359 Y363 E380 | K355-Y377 WeakPolarHBondContact O-CA 3.3Å; K355-Y377 VanDerWaalsContact O-CB 3.32Å; K355-Y377 WeakPolarHBondContact O-CB 3.3Å; K355-Y377 PolarHBondContact O-N 2.96Å; F357-Y377 PolarHBondContact O-N 2.98Å; C359-Y377 WeakPolarHBondContact CB-O 3.25Å; C359-Y377 PolarHBondContact N-O 2.89Å; Y363-Y377 HydrophobicContact CE2-CD1 4.27Å; Y363-Y377 WeakPolarHBondContact CE2-O 3.09Å; Y363-Y377 VanDerWaalsContact OH-CD1 3.26Å; Y363-Y377 WeakPolarHBondContact OH-CD1 3.4Å; Y363-Y377 WeakPolarHBondContact OH-CE1 3.39Å; Y377-E380 HydrophobicContact CE1-CB 4.14Å; Y377-E380 WeakPolarHBondContact OH-CB 3.43Å; Y377-E380 VanDerWaalsContact OH-CG 3.3Å; Y377-E380 WeakPolarHBondContact OH-CG 3.46Å; Y377-E380 PolarHBondContact OH-N 3.06Å |
| 378 | H | 80 | Confident | 80.3 | Confident | 37 Ų | 37 | 69 Ų | 69 | 17% | 0.171 | 36% | 0.361 | C | S | . | . | trans | -116.4 | 152 | 163.8 | -69.5 | 166.8 | 0 | 0 | 0 | 109.1 | C359 Y362 G371 C374 F376 | C359-H378 WeakPolarHBondContact CB-CD2 2.99Å; C359-H378 WeakPolarHBondContact CB-NE2 3.49Å; C359-H378 PolarHBondContact SG-NE2 2.74Å; Y362-H378 WeakPolarHBondContact CB-CD2 3.17Å; Y362-H378 WeakPolarHBondContact CB-NE2 3.49Å; Y362-H378 HydrophobicContact CD2-CB 4.29Å; Y362-H378 AromaticContact CD2-CD2 3.7Å; Y362-H378 AromaticContact CD2-CG 3.86Å; Y362-H378 HydrophobicContact CE1-CB 4.49Å; Y362-H378 HydrophobicContact CE2-CB 4.17Å; Y362-H378 HydrophobicContact CG-CB 4.48Å; Y362-H378 AromaticContact CG-CD2 3.45Å; Y362-H378 VanDerWaalsContact CG-CD2 3.45Å; Y362-H378 AromaticContact CG-NE2 3.9Å; G371-H378 PolarHBondContact O-CE1 2.99Å; G371-H378 PolarHBondContact O-ND1 3.05Å; C374-H378 WeakPolarHBondContact CB-CE1 3.28Å; F376-H378 PolarHBondContact O-N 3.4Å | ||
| 379 | G | 76.3 | Confident | 80.2 | Confident | 21 Ų | 21 | 68.7 Ų | 68.7 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | S | Bend | trans | 121.5 | -109.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y362 L424 | Y362-G379 PolarHBondContact OH-N 3.43Å; G379-L424 WeakPolarHBondContact O-CD2 3.31Å |
| 380 | E | 79 | Confident | 80.4 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -59.1 | 149.9 | -160.6 | -72.1 | -169.8 | 178.8 | 0 | 0 | 115.5 | Y363 Y377 L382 R430 | Y363-E380 WeakPolarHBondContact CE1-O 3.34Å; Y363-E380 PolarHBondContact OH-O 2.97Å; Y377-E380 HydrophobicContact CE1-CB 4.14Å; Y377-E380 WeakPolarHBondContact OH-CB 3.43Å; Y377-E380 VanDerWaalsContact OH-CG 3.3Å; Y377-E380 WeakPolarHBondContact OH-CG 3.46Å; Y377-E380 PolarHBondContact OH-N 3.06Å; E380-L382 PolarHBondContact O-N 3.17Å; E380-L382 VanDerWaalsContact O-N 3.15Å; E380-R430 VanDerWaalsContact CD-NH2 3.26Å; E380-R430 IonicContact OE1-CZ 3.96Å; E380-R430 IonicContact OE1-NH1 3.52Å; E380-R430 PolarHBondContact OE1-NH1 3.39Å; E380-R430 IonicContact OE1-NH2 3.94Å; E380-R430 PolarHBondContact OE1-NH2 2.96Å; E380-R430 IonicContact OE2-CZ 3.68Å; E380-R430 IonicContact OE2-NH1 3.85Å; E380-R430 PolarHBondContact OE2-NH1 3.21Å; E380-R430 IonicContact OE2-NH2 2.72Å |
| 381 | P | 76 | Confident | 80.7 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 119.5 | 173.8 | 27 | -35.7 | 0 | 0 | 0 | 109.6 | L424 C425 R430 | P381-L424 HydrophobicContact CB-CB 4.07Å; P381-C425 VanDerWaalsContact CB-SG 3.57Å; P381-R430 HydrophobicContact CG-CB 4.47Å |
| 382 | L | 79.5 | Confident | 80.6 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 149.2 | -161.8 | -154.1 | 72.4 | 0 | 0 | 0 | 113.4 | P358 Y363 E380 L386 M417 H421 W434 | P358-L382 HydrophobicContact CB-CD1 3.77Å; P358-L382 HydrophobicContact CB-CD2 3.8Å; P358-L382 HydrophobicContact CB-CG 4.47Å; P358-L382 HydrophobicContact CG-CD2 4.09Å; Y363-L382 HydrophobicContact CD1-CB 4.14Å; Y363-L382 HydrophobicContact CD2-CD1 4.4Å; Y363-L382 HydrophobicContact CE1-CB 3.86Å; Y363-L382 HydrophobicContact CE1-CD1 4.03Å; Y363-L382 HydrophobicContact CE1-CG 4.43Å; Y363-L382 HydrophobicContact CE2-CD1 3.84Å; E380-L382 PolarHBondContact O-N 3.17Å; E380-L382 VanDerWaalsContact O-N 3.15Å; L382-L386 HydrophobicContact CD1-CB 3.93Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.77Å; L382-L386 HydrophobicContact CG-CB 3.63Å; L382-L386 HydrophobicContact CG-CD1 4.43Å; L382-M417 HydrophobicContact CD2-CE 3.22Å; L382-H421 PolarHBondContact N-ND1 3.46Å; L382-H421 PolarHBondContact O-CE1 2.88Å; L382-H421 PolarHBondContact O-ND1 3.29Å; L382-W434 HydrophobicContact CB-CH2 4.44Å; L382-W434 HydrophobicContact CB-CZ2 4.09Å; L382-W434 WeakPolarHBondContact O-CZ2 3.11Å; L382-W434 PolarHBondContact O-NE1 3.4Å |
| 383 | S | 79.2 | Confident | 80.6 | Confident | 53 Ų | 53 | 53.2 Ų | 53.2 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 154.8 | 173.9 | 78.9 | 0 | 0 | 0 | 0 | 111.8 | Q385 L386 R387 | S383-Q385 PolarHBondContact O-N 2.65Å; S383-L386 PolarHBondContact O-N 3.32Å; S383-L386 WeakPolarHBondContact OG-CB 3.48Å; S383-L386 WeakPolarHBondContact OG-CG 3.44Å; S383-L386 PolarHBondContact OG-N 2.95Å; S383-L386 VanDerWaalsContact OG-N 3.15Å; S383-R387 WeakPolarHBondContact O-CB 3.33Å; S383-R387 PolarHBondContact O-N 3.12Å |
| 384 | E | 80.6 | Confident | 80.5 | Confident | 87 Ų | 87 | 47.4 Ų | 47.4 | 41% | 0.407 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -32.8 | 177.3 | -175.5 | 178.1 | -169.9 | 0 | 0 | 112.1 | R387 N388 I437 | E384-R387 WeakPolarHBondContact O-CB 3.38Å; E384-R387 PolarHBondContact O-N 3.11Å; E384-N388 PolarHBondContact O-N 2.89Å; E384-N388 PolarHBondContact O-ND2 3.48Å; E384-I437 WeakPolarHBondContact OE2-CD1 3.39Å |
| 385 | Q | 79.4 | Confident | 80 | Confident | 138 Ų | 138 | 51.4 Ų | 51.4 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.3 | -50.9 | 174.6 | -66.6 | -179.3 | -8.2 | 0 | 0 | 111 | L333 S383 R387 N388 V389 | L333-Q385 HydrophobicContact CD2-CB 4.23Å; S383-Q385 PolarHBondContact O-N 2.65Å; Q385-R387 VanDerWaalsContact C-N 3.27Å; Q385-R387 PolarHBondContact O-N 3.37Å; Q385-N388 PolarHBondContact O-N 3.46Å; Q385-V389 WeakPolarHBondContact O-CG2 3.39Å; Q385-V389 PolarHBondContact O-N 3.24Å |
| 386 | L | 82.2 | Confident | 79.2 | Confident | 36 Ų | 36 | 52.4 Ų | 52.4 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -29.9 | 178 | -70.3 | 173.4 | 0 | 0 | 0 | 112.4 | L382 S383 V389 L390 | L382-L386 HydrophobicContact CD1-CB 3.93Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.77Å; L382-L386 HydrophobicContact CG-CB 3.63Å; L382-L386 HydrophobicContact CG-CD1 4.43Å; S383-L386 PolarHBondContact O-N 3.32Å; S383-L386 WeakPolarHBondContact OG-CB 3.48Å; S383-L386 WeakPolarHBondContact OG-CG 3.44Å; S383-L386 PolarHBondContact OG-N 2.95Å; S383-L386 VanDerWaalsContact OG-N 3.15Å; L386-V389 PolarHBondContact O-N 2.91Å; L386-L390 PolarHBondContact O-N 3.46Å |
| 387 | R | 83.8 | Confident | 78.1 | Confident | 47 Ų | 47 | 50.7 Ų | 50.7 | 18% | 0.177 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | 170 | -176.2 | -168.4 | -166.3 | -112.1 | 10 | 111.7 | S383 E384 Q385 V389 L390 L391 M417 T418 W434 | S383-R387 WeakPolarHBondContact O-CB 3.33Å; S383-R387 PolarHBondContact O-N 3.12Å; E384-R387 WeakPolarHBondContact O-CB 3.38Å; E384-R387 PolarHBondContact O-N 3.11Å; Q385-R387 VanDerWaalsContact C-N 3.27Å; Q385-R387 PolarHBondContact O-N 3.37Å; R387-V389 PolarHBondContact O-N 3.15Å; R387-L390 PolarHBondContact O-N 3.18Å; R387-L391 VanDerWaalsContact O-CB 3.24Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 2.84Å; R387-M417 HydrophobicContact CB-CE 4.06Å; R387-M417 HydrophobicContact CB-SD 4.46Å; R387-M417 HydrophobicContact CG-CE 3.98Å; R387-M417 HydrophobicContact CG-SD 3.75Å; R387-T418 PolarHBondContact NH2-OG1 3.28Å; R387-W434 HydrophobicContact CB-CH2 3.93Å; R387-W434 HydrophobicContact CB-CZ2 3.72Å; R387-W434 VanDerWaalsContact CD-CH2 3.42Å; R387-W434 HydrophobicContact CG-CH2 3.69Å; R387-W434 HydrophobicContact CG-CZ2 3.96Å; R387-W434 HydrophobicContact CG-CZ3 4.34Å |
| 388 | N | 84.9 | Confident | 76.9 | Confident | 73 Ų | 73 | 50.8 Ų | 50.8 | 39% | 0.39 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66 | -29.4 | 178 | -70.4 | -38.3 | 0 | 0 | 0 | 112 | E384 Q385 K392 | E384-N388 PolarHBondContact O-N 2.89Å; E384-N388 PolarHBondContact O-ND2 3.48Å; Q385-N388 PolarHBondContact O-N 3.46Å; N388-K392 VanDerWaalsContact O-CB 3.26Å; N388-K392 WeakPolarHBondContact O-CB 2.95Å; N388-K392 PolarHBondContact O-N 3.48Å |
| 389 | V | 83.8 | Confident | 75.8 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.6 | -50.2 | 174.8 | 167.6 | 0 | 0 | 0 | 0 | 112.1 | L333 F357 Q385 L386 R387 L391 K392 H393 | L333-V389 HydrophobicContact CB-CG1 4.44Å; L333-V389 HydrophobicContact CB-CG2 3.45Å; L333-V389 VanDerWaalsContact CB-CG2 3.45Å; L333-V389 HydrophobicContact CD2-CG2 4.06Å; L333-V389 HydrophobicContact CG-CG2 4.39Å; L333-V389 WeakPolarHBondContact O-CG1 3.38Å; L333-V389 WeakPolarHBondContact O-CG2 3.31Å; F357-V389 HydrophobicContact CD2-CG1 4.37Å; F357-V389 HydrophobicContact CE2-CG1 3.76Å; Q385-V389 WeakPolarHBondContact O-CG2 3.39Å; Q385-V389 PolarHBondContact O-N 3.24Å; L386-V389 PolarHBondContact O-N 2.91Å; R387-V389 PolarHBondContact O-N 3.15Å; V389-L391 VanDerWaalsContact C-N 3.27Å; V389-L391 PolarHBondContact O-N 3.37Å; V389-K392 PolarHBondContact O-N 3.12Å; V389-H393 VanDerWaalsContact O-CB 3.32Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-N 3.26Å |
| 390 | L | 83.6 | Confident | 74.8 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.5 | -177 | 61.1 | 0 | 0 | 0 | 110.7 | F357 P358 K360 L364 L386 R387 H393 M394 M417 | F357-L390 HydrophobicContact CE1-CD1 4.16Å; F357-L390 HydrophobicContact CZ-CD1 4.37Å; P358-L390 HydrophobicContact CB-CD2 4.46Å; P358-L390 HydrophobicContact CG-CB 3.9Å; P358-L390 HydrophobicContact CG-CD1 4.35Å; P358-L390 HydrophobicContact CG-CD2 4.48Å; P358-L390 HydrophobicContact CG-CG 4.46Å; K360-L390 HydrophobicContact CB-CD1 4.17Å; K360-L390 HydrophobicContact CG-CD1 4.42Å; L364-L390 HydrophobicContact CD1-CD2 4.06Å; L386-L390 PolarHBondContact O-N 3.46Å; R387-L390 PolarHBondContact O-N 3.18Å; L390-H393 PolarHBondContact O-N 2.92Å; L390-M394 WeakPolarHBondContact O-CG 3.47Å; L390-M394 PolarHBondContact O-N 2.81Å; L390-M417 HydrophobicContact CB-CE 4.2Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CD2-SD 4.08Å; L390-M417 HydrophobicContact CG-CE 4.46Å |
| 391 | L | 82.9 | Confident | 73.7 | Confident | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.1 | -37.4 | -179 | -166.5 | 63.2 | 0 | 0 | 0 | 112.7 | R387 V389 M394 E395 R410 A413 I414 | R387-L391 VanDerWaalsContact O-CB 3.24Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 2.84Å; V389-L391 VanDerWaalsContact C-N 3.27Å; V389-L391 PolarHBondContact O-N 3.37Å; L391-M394 PolarHBondContact O-N 2.81Å; L391-E395 PolarHBondContact O-N 3.47Å; L391-R410 HydrophobicContact CD1-CG 3.81Å; L391-R410 HydrophobicContact CD2-CG 4.09Å; L391-R410 HydrophobicContact CG-CG 4.06Å; L391-A413 HydrophobicContact CD1-CB 4.29Å; L391-I414 HydrophobicContact CD1-CG1 4.26Å; L391-I414 HydrophobicContact CD2-CD1 3.87Å; L391-I414 HydrophobicContact CD2-CG1 3.6Å |
| 392 | K | 79.4 | Confident | 72.7 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 167.7 | -178.7 | -167.2 | 176.2 | -170.6 | 0 | 109.9 | E334 N388 V389 M394 E395 T396 | E334-K392 IonicContact OE1-NZ 3.39Å; E334-K392 PolarHBondContact OE1-NZ 3.07Å; N388-K392 VanDerWaalsContact O-CB 3.26Å; N388-K392 WeakPolarHBondContact O-CB 2.95Å; N388-K392 PolarHBondContact O-N 3.48Å; V389-K392 PolarHBondContact O-N 3.12Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 2.79Å; K392-E395 PolarHBondContact O-N 3.16Å; K392-T396 HydrophobicContact CG-CG2 3.93Å; K392-T396 PolarHBondContact O-N 2.81Å; K392-T396 PolarHBondContact O-OG1 2.88Å |
| 393 | H | 74.7 | Confident | 71.9 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 14% | 0.139 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -36 | -178 | -169.6 | 80.9 | 0 | 0 | 0 | 112.4 | F357 V389 L390 E395 A397 I401 | F357-H393 HydrophobicContact CZ-CB 3.94Å; F357-H393 AromaticContact CZ-CD2 3.8Å; F357-H393 AromaticContact CZ-CG 3.71Å; V389-H393 VanDerWaalsContact O-CB 3.32Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-N 3.26Å; L390-H393 PolarHBondContact O-N 2.92Å; H393-E395 PolarHBondContact O-N 3.13Å; H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 3.45Å; H393-I401 VanDerWaalsContact NE2-CG2 3.35Å; H393-I401 WeakPolarHBondContact NE2-CG2 3.46Å |
| 394 | M | 74.5 | Confident | 70.6 | Confident | 29 Ų | 29 | 70.7 Ų | 70.7 | 14% | 0.143 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.9 | -21.2 | 173.8 | -78.1 | -167.5 | 60.2 | 0 | 0 | 114.9 | K360 L364 L390 L391 K392 F405 A413 | K360-M394 HydrophobicContact CD-CG 4.44Å; K360-M394 HydrophobicContact CG-SD 4.38Å; L364-M394 HydrophobicContact CD1-SD 4.09Å; L364-M394 HydrophobicContact CD2-CE 3.8Å; L364-M394 HydrophobicContact CD2-SD 3.78Å; L390-M394 WeakPolarHBondContact O-CG 3.47Å; L390-M394 PolarHBondContact O-N 2.81Å; L391-M394 PolarHBondContact O-N 2.81Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 2.79Å; M394-F405 HydrophobicContact CE-CE1 3.76Å; M394-F405 HydrophobicContact CE-CZ 4.26Å; M394-A413 HydrophobicContact CE-CB 3.95Å; M394-A413 HydrophobicContact SD-CB 4.25Å |
| 395 | E | 72.6 | Confident | 69.6 | Low | 107 Ų | 107 | 67.2 Ų | 67.2 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -102.2 | -42 | 178.4 | -69.9 | 176.6 | 164.6 | 0 | 0 | 113.1 | L391 K392 H393 R410 | L391-E395 PolarHBondContact O-N 3.47Å; K392-E395 PolarHBondContact O-N 3.16Å; H393-E395 PolarHBondContact O-N 3.13Å; E395-R410 WeakPolarHBondContact OE1-CB 3.43Å; E395-R410 WeakPolarHBondContact OE1-CD 3.2Å; E395-R410 WeakPolarHBondContact OE1-CG 3.48Å; E395-R410 IonicContact OE1-CZ 2.76Å; E395-R410 IonicContact OE1-NE 3.2Å; E395-R410 IonicContact OE1-NH1 2.69Å; E395-R410 PolarHBondContact OE1-NH1 3.19Å; E395-R410 IonicContact OE2-CZ 3.43Å; E395-R410 IonicContact OE2-NH1 3.76Å; E395-R410 PolarHBondContact OE2-NH1 3.4Å |
| 396 | T | 64.5 | Low | 69.1 | Low | 87 Ų | 87 | 68.7 Ų | 68.7 | 53% | 0.534 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -100.2 | -10.5 | -167.3 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | K392 | K392-T396 HydrophobicContact CG-CG2 3.93Å; K392-T396 PolarHBondContact O-N 2.81Å; K392-T396 PolarHBondContact O-OG1 2.88Å |
| 397 | A | 59.6 | Low | 68.1 | Low | 17 Ų | 17 | 76.7 Ų | 76.7 | 14% | 0.14 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -84.7 | 135.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | H393 I401 L402 | H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 3.45Å; A397-I401 HydrophobicContact CB-CB 4.38Å; A397-I401 HydrophobicContact CB-CD1 4.4Å; A397-L402 HydrophobicContact CB-CD1 3.56Å |
| 398 | P | 58 | Low | 67.5 | Low | 77 Ų | 77 | 76 Ų | 76 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | trans | -57.5 | 161.9 | 175.3 | -27.1 | 36.1 | 0 | 0 | 0 | 113.8 | E400 I401 | P398-E400 PolarHBondContact O-N 2.97Å; P398-E400 VanDerWaalsContact O-N 3.1Å; P398-I401 PolarHBondContact O-N 2.95Å | ||
| 399 | K | 57.4 | Low | 67 | Low | 163 Ų | 163 | 75.3 Ų | 75.3 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -50.6 | -37.9 | -179.9 | -64.1 | 178.8 | -175.7 | 174 | 0 | 112.6 | I401 L402 G403 | K399-I401 PolarHBondContact O-N 2.8Å; K399-I401 VanDerWaalsContact O-N 3.17Å; K399-L402 PolarHBondContact O-N 3.18Å; K399-G403 PolarHBondContact O-N 2.85Å |
| 400 | E | 55 | Low | 66.7 | Low | 160 Ų | 160 | 78.3 Ų | 78.3 | 75% | 0.748 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -50.5 | -35 | 177.7 | -67.7 | 165.1 | -146 | 0 | 0 | 114.5 | P398 | P398-E400 PolarHBondContact O-N 2.97Å; P398-E400 VanDerWaalsContact O-N 3.1Å |
| 401 | I | 57.2 | Low | 66.6 | Low | 54 Ų | 54 | 83 Ų | 83 | 28% | 0.277 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -94.8 | -17.4 | -178.3 | -51.4 | 172.9 | 0 | 0 | 0 | 111.5 | L335 L340 H393 A397 P398 K399 | L335-I401 HydrophobicContact CD2-CG2 4.3Å; L340-I401 HydrophobicContact CD2-CB 4.16Å; L340-I401 HydrophobicContact CD2-CG1 3.9Å; L340-I401 HydrophobicContact CD2-CG2 3.67Å; H393-I401 VanDerWaalsContact NE2-CG2 3.35Å; H393-I401 WeakPolarHBondContact NE2-CG2 3.46Å; A397-I401 HydrophobicContact CB-CB 4.38Å; A397-I401 HydrophobicContact CB-CD1 4.4Å; P398-I401 PolarHBondContact O-N 2.95Å; K399-I401 PolarHBondContact O-N 2.8Å; K399-I401 VanDerWaalsContact O-N 3.17Å |
| 402 | L | 54.5 | Low | 66.7 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 15% | 0.147 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -95.5 | -20 | -177.4 | -94.5 | 73.8 | 0 | 0 | 0 | 114.4 | A397 K399 F405 | A397-L402 HydrophobicContact CB-CD1 3.56Å; K399-L402 PolarHBondContact O-N 3.18Å; L402-F405 VanDerWaalsContact O-CB 3.22Å; L402-F405 WeakPolarHBondContact O-CB 3.13Å; L402-F405 PolarHBondContact O-N 3.16Å |
| 403 | G | 62.6 | Low | 66.9 | Low | 56 Ų | 56 | 82.7 Ų | 82.7 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | -149.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K399 F405 | K399-G403 PolarHBondContact O-N 2.85Å; G403-F405 PolarHBondContact O-N 2.82Å |
| 404 | D | 52.5 | Low | 67.4 | Low | 174 Ų | 174 | 83.2 Ų | 83.2 | 93% | 0.93 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 23.2 | 179.2 | -63 | -40.3 | 0 | 0 | 0 | 114.2 | K406 | D404-K406 PolarHBondContact O-N 3.42Š|
| 405 | F | 58.9 | Low | 68 | Low | 15 Ų | 15 | 86.5 Ų | 86.5 | 7% | 0.066 | 45% | 0.445 | C | S | . | . | trans | -65.5 | 113.5 | -179.4 | -172.1 | -87.1 | 0 | 0 | 0 | 111.5 | K360 Y361 L364 M366 M394 L402 G403 R407 I408 | K360-F405 HydrophobicContact CD-CD2 3.94Å; K360-F405 HydrophobicContact CD-CE2 4.08Å; K360-F405 HydrophobicContact CD-CG 4.23Å; K360-F405 VanDerWaalsContact CE-CD2 3.4Å; K360-F405 VanDerWaalsContact CE-CE1 3.49Å; K360-F405 HydrophobicContact CG-CD2 4.39Å; K360-F405 HydrophobicContact CG-CE2 4.07Å; K360-F405 HydrophobicContact CG-CZ 4.45Å; K360-F405 VanDerWaalsContact NZ-CB 3.27Å; Y361-F405 HydrophobicContact CE1-CD2 4.06Å; Y361-F405 HydrophobicContact CE1-CE2 4.35Å; Y361-F405 AromaticContact CZ-CD2 3.99Å; L364-F405 HydrophobicContact CD2-CE1 4.4Å; L364-F405 HydrophobicContact CD2-CZ 3.66Å; M366-F405 HydrophobicContact CE-CD2 4.3Å; M366-F405 HydrophobicContact CE-CE2 3.6Å; M366-F405 HydrophobicContact CE-CZ 4.28Å; M394-F405 HydrophobicContact CE-CE1 3.76Å; M394-F405 HydrophobicContact CE-CZ 4.26Å; L402-F405 VanDerWaalsContact O-CB 3.22Å; L402-F405 WeakPolarHBondContact O-CB 3.13Å; L402-F405 PolarHBondContact O-N 3.16Å; G403-F405 PolarHBondContact O-N 2.82Å; F405-R407 PolarHBondContact O-N 3.44Å; F405-R407 VanDerWaalsContact O-N 3.13Å; F405-I408 HydrophobicContact CE1-CB 4.42Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 HydrophobicContact CE1-CG1 4.4Å; F405-I408 HydrophobicContact CZ-CD1 4.04Å | ||
| 406 | K | 68.8 | Low | 68.6 | Low | 169 Ų | 169 | 84 Ų | 84 | 74% | 0.735 | 43% | 0.433 | S | S | * | . | trans | -41.9 | 117.2 | 171.8 | -176.7 | 174.9 | -176.5 | 174.4 | 0 | 110.8 | D404 I408 | D404-K406 PolarHBondContact O-N 3.42Å; K406-I408 VanDerWaalsContact C-N 3.32Å; K406-I408 WeakPolarHBondContact O-CG1 3.23Å; K406-I408 PolarHBondContact O-N 3.04Å | ||
| 407 | R | 61.3 | Low | 69.6 | Low | 203 Ų | 203 | 80.1 Ų | 80.1 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | trans | -68 | 84.3 | -175.3 | -71.4 | -178.5 | 173 | -110.9 | -12.2 | 112.1 | F405 | F405-R407 PolarHBondContact O-N 3.44Å; F405-R407 VanDerWaalsContact O-N 3.13Å | ||
| 408 | I | 70.8 | Confident | 70.9 | Confident | 32 Ų | 32 | 81.9 Ų | 81.9 | 16% | 0.164 | 42% | 0.418 | C | S | . | . | trans | -78.3 | 133.6 | 171.9 | -66.3 | 171.8 | 0 | 0 | 0 | 108.3 | F405 K406 I412 A413 | F405-I408 HydrophobicContact CE1-CB 4.42Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 HydrophobicContact CE1-CG1 4.4Å; F405-I408 HydrophobicContact CZ-CD1 4.04Å; K406-I408 VanDerWaalsContact C-N 3.32Å; K406-I408 WeakPolarHBondContact O-CG1 3.23Å; K406-I408 PolarHBondContact O-N 3.04Å; I408-I412 HydrophobicContact CG2-CB 3.58Å; I408-I412 HydrophobicContact CG2-CG2 3.5Å; I408-I412 VanDerWaalsContact CG2-CG2 3.5Å; I408-A413 HydrophobicContact CG2-CB 4.15Å | ||
| 409 | S | 74.2 | Confident | 72.3 | Confident | 59 Ų | 59 | 86.4 Ų | 86.4 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | trans | -68.5 | 156 | 179.7 | 64.1 | 0 | 0 | 0 | 0 | 112.1 | D411 I412 A413 | S409-D411 PolarHBondContact O-N 3.23Å; S409-D411 VanDerWaalsContact O-N 3.14Å; S409-I412 PolarHBondContact O-N 2.92Å; S409-I412 VanDerWaalsContact O-N 3.09Å; S409-I412 WeakPolarHBondContact OG-CD1 3.29Å; S409-I412 WeakPolarHBondContact OG-CG1 3.31Å; S409-A413 PolarHBondContact O-N 3.49Å | ||
| 410 | R | 78.5 | Confident | 73.7 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 31% | 0.313 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -48 | -45.2 | -179.3 | -168.8 | -162.4 | -179.3 | 83.8 | -0.4 | 112.2 | L391 E395 A413 I414 | L391-R410 HydrophobicContact CD1-CG 3.81Å; L391-R410 HydrophobicContact CD2-CG 4.09Å; L391-R410 HydrophobicContact CG-CG 4.06Å; E395-R410 WeakPolarHBondContact OE1-CB 3.43Å; E395-R410 WeakPolarHBondContact OE1-CD 3.2Å; E395-R410 WeakPolarHBondContact OE1-CG 3.48Å; E395-R410 IonicContact OE1-CZ 2.76Å; E395-R410 IonicContact OE1-NE 3.2Å; E395-R410 IonicContact OE1-NH1 2.69Å; E395-R410 PolarHBondContact OE1-NH1 3.19Å; E395-R410 IonicContact OE2-CZ 3.43Å; E395-R410 IonicContact OE2-NH1 3.76Å; E395-R410 PolarHBondContact OE2-NH1 3.4Å; R410-A413 PolarHBondContact O-N 2.97Å; R410-I414 HydrophobicContact CG-CD1 3.95Å; R410-I414 WeakPolarHBondContact O-CB 3.29Å; R410-I414 VanDerWaalsContact O-CG1 3.24Å; R410-I414 WeakPolarHBondContact O-CG1 3.48Å; R410-I414 PolarHBondContact O-N 3.47Å |
| 411 | D | 81.4 | Confident | 75.2 | Confident | 100 Ų | 100 | 72.7 Ų | 72.7 | 54% | 0.535 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -71.8 | -36.1 | -175.7 | -53.2 | -68.2 | 0 | 0 | 0 | 112.8 | S409 I414 V415 | S409-D411 PolarHBondContact O-N 3.23Å; S409-D411 VanDerWaalsContact O-N 3.14Å; D411-I414 WeakPolarHBondContact O-CB 3.48Å; D411-I414 PolarHBondContact O-N 3.11Å; D411-V415 WeakPolarHBondContact O-CG2 3.24Å; D411-V415 PolarHBondContact O-N 3.09Å |
| 412 | I | 84.1 | Confident | 76.6 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | 174.3 | -61.3 | 170.5 | 0 | 0 | 0 | 110 | I408 S409 I414 V415 Q416 | I408-I412 HydrophobicContact CG2-CB 3.58Å; I408-I412 HydrophobicContact CG2-CG2 3.5Å; I408-I412 VanDerWaalsContact CG2-CG2 3.5Å; S409-I412 PolarHBondContact O-N 2.92Å; S409-I412 VanDerWaalsContact O-N 3.09Å; S409-I412 WeakPolarHBondContact OG-CD1 3.29Å; S409-I412 WeakPolarHBondContact OG-CG1 3.31Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 3.45Å; I412-V415 PolarHBondContact O-N 3.13Å; I412-Q416 HydrophobicContact CG2-CG 4.4Å; I412-Q416 WeakPolarHBondContact O-CB 3.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.27Å; I412-Q416 PolarHBondContact O-N 3.18Å |
| 413 | A | 83.9 | Confident | 78.2 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.008 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L364 L391 M394 I408 S409 R410 V415 M417 | L364-A413 HydrophobicContact CD2-CB 4.21Å; L391-A413 HydrophobicContact CD1-CB 4.29Å; M394-A413 HydrophobicContact CE-CB 3.95Å; M394-A413 HydrophobicContact SD-CB 4.25Å; I408-A413 HydrophobicContact CG2-CB 4.15Å; S409-A413 PolarHBondContact O-N 3.49Å; R410-A413 PolarHBondContact O-N 2.97Å; A413-V415 PolarHBondContact O-N 3.25Å; A413-M417 WeakPolarHBondContact O-CB 3.08Å; A413-M417 PolarHBondContact O-N 3.01Å |
| 414 | I | 85.2 | Confident | 79.2 | Confident | 41 Ų | 41 | 74.4 Ų | 74.4 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.6 | -47.9 | 171.4 | -82.4 | 166.8 | 0 | 0 | 0 | 111.3 | L391 R410 D411 I412 T418 | L391-I414 HydrophobicContact CD1-CG1 4.26Å; L391-I414 HydrophobicContact CD2-CD1 3.87Å; L391-I414 HydrophobicContact CD2-CG1 3.6Å; R410-I414 HydrophobicContact CG-CD1 3.95Å; R410-I414 WeakPolarHBondContact O-CB 3.29Å; R410-I414 VanDerWaalsContact O-CG1 3.24Å; R410-I414 WeakPolarHBondContact O-CG1 3.48Å; R410-I414 PolarHBondContact O-N 3.47Å; D411-I414 WeakPolarHBondContact O-CB 3.48Å; D411-I414 PolarHBondContact O-N 3.11Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 3.45Å; I414-T418 WeakPolarHBondContact O-CB 3.46Å; I414-T418 PolarHBondContact O-N 3.05Å; I414-T418 PolarHBondContact O-OG1 3.02Å |
| 415 | V | 87.1 | Confident | 80.7 | Confident | 98 Ų | 98 | 66.3 Ų | 66.3 | 59% | 0.594 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -67.4 | -48.6 | -178.1 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | D411 I412 A413 M417 T418 R419 | D411-V415 WeakPolarHBondContact O-CG2 3.24Å; D411-V415 PolarHBondContact O-N 3.09Å; I412-V415 PolarHBondContact O-N 3.13Å; A413-V415 PolarHBondContact O-N 3.25Å; V415-M417 VanDerWaalsContact C-N 3.34Å; V415-M417 PolarHBondContact O-N 3.4Å; V415-T418 PolarHBondContact O-N 3.45Å; V415-R419 WeakPolarHBondContact O-CB 3.08Å; V415-R419 PolarHBondContact O-N 2.64Å |
| 416 | Q | 85.6 | Confident | 81.8 | Confident | 54 Ų | 54 | 71.3 Ų | 71.3 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 175.4 | -77.7 | 177.1 | -39.6 | 0 | 0 | 111.8 | L364 I412 T418 R419 R420 | L364-Q416 HydrophobicContact CB-CB 4.5Å; L364-Q416 HydrophobicContact CG-CB 4.46Å; L364-Q416 WeakPolarHBondContact O-CB 3.18Å; I412-Q416 HydrophobicContact CG2-CG 4.4Å; I412-Q416 WeakPolarHBondContact O-CB 3.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.27Å; I412-Q416 PolarHBondContact O-N 3.18Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; Q416-T418 PolarHBondContact O-N 2.88Å; Q416-R419 PolarHBondContact O-N 2.81Å; Q416-R420 PolarHBondContact O-N 3.12Å |
| 417 | M | 84.6 | Confident | 82.4 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.2 | -32.6 | -178.1 | -171 | 174.9 | -166 | 0 | 0 | 113.4 | Y363 L382 R387 L390 A413 V415 H421 W434 | Y363-M417 VanDerWaalsContact O-CA 3.29Å; Y363-M417 WeakPolarHBondContact O-CA 3.44Å; L382-M417 HydrophobicContact CD2-CE 3.22Å; R387-M417 HydrophobicContact CB-CE 4.06Å; R387-M417 HydrophobicContact CB-SD 4.46Å; R387-M417 HydrophobicContact CG-CE 3.98Å; R387-M417 HydrophobicContact CG-SD 3.75Å; L390-M417 HydrophobicContact CB-CE 4.2Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CD2-SD 4.08Å; L390-M417 HydrophobicContact CG-CE 4.46Å; A413-M417 WeakPolarHBondContact O-CB 3.08Å; A413-M417 PolarHBondContact O-N 3.01Å; V415-M417 VanDerWaalsContact C-N 3.34Å; V415-M417 PolarHBondContact O-N 3.4Å; M417-H421 WeakPolarHBondContact O-CB 3.42Å; M417-H421 PolarHBondContact O-N 2.79Å; M417-W434 HydrophobicContact CG-CH2 4.34Å |
| 418 | T | 88.1 | Confident | 83.1 | Confident | 54 Ų | 54 | 63.5 Ų | 63.5 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.6 | -43.1 | 174.7 | -51.1 | 0 | 0 | 0 | 0 | 110.7 | R387 I414 V415 Q416 R420 H421 E422 | R387-T418 PolarHBondContact NH2-OG1 3.28Å; I414-T418 WeakPolarHBondContact O-CB 3.46Å; I414-T418 PolarHBondContact O-N 3.05Å; I414-T418 PolarHBondContact O-OG1 3.02Å; V415-T418 PolarHBondContact O-N 3.45Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; Q416-T418 PolarHBondContact O-N 2.88Å; T418-R420 VanDerWaalsContact C-N 3.34Å; T418-R420 PolarHBondContact O-N 3.15Å; T418-H421 PolarHBondContact O-N 2.88Å; T418-E422 PolarHBondContact O-N 2.87Å |
| 419 | R | 87.5 | Confident | 83.3 | Confident | 173 Ų | 173 | 69.3 Ų | 69.3 | 65% | 0.653 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 174.8 | -166.7 | -175.2 | -160.4 | -161.7 | 5.8 | 112.5 | V415 Q416 Q423 | V415-R419 WeakPolarHBondContact O-CB 3.08Å; V415-R419 PolarHBondContact O-N 2.64Å; Q416-R419 PolarHBondContact O-N 2.81Å; R419-Q423 WeakPolarHBondContact O-CG 3.48Å; R419-Q423 PolarHBondContact O-N 3.47Å |
| 420 | R | 86.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 12% | 0.117 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -73.6 | -37.3 | 177.8 | -174.6 | 62.6 | -179.8 | 123.3 | -0.9 | 112.5 | Y362 Q416 T418 E422 Q423 L424 | Y362-R420 WeakPolarHBondContact O-CG 3.4Å; Y362-R420 PolarHBondContact O-NE 3.1Å; Q416-R420 PolarHBondContact O-N 3.12Å; T418-R420 VanDerWaalsContact C-N 3.34Å; T418-R420 PolarHBondContact O-N 3.15Å; R420-E422 VanDerWaalsContact C-N 3.33Å; R420-Q423 PolarHBondContact O-N 2.92Å; R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 VanDerWaalsContact O-CG 3.3Å; R420-L424 WeakPolarHBondContact O-CG 3.19Å; R420-L424 PolarHBondContact O-N 2.79Å |
| 421 | H | 86.6 | Confident | 82.6 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 172.5 | 176.8 | 102.4 | 0 | 0 | 0 | 111.5 | L382 M417 T418 L424 C425 N432 W434 | L382-H421 PolarHBondContact N-ND1 3.46Å; L382-H421 PolarHBondContact O-CE1 2.88Å; L382-H421 PolarHBondContact O-ND1 3.29Å; M417-H421 WeakPolarHBondContact O-CB 3.42Å; M417-H421 PolarHBondContact O-N 2.79Å; T418-H421 PolarHBondContact O-N 2.88Å; H421-L424 PolarHBondContact O-N 3.35Å; H421-L424 VanDerWaalsContact O-N 3.13Å; H421-C425 PolarHBondContact NE2-SG 3.39Å; H421-C425 PolarHBondContact O-N 3.22Å; H421-C425 PolarHBondContact O-SG 3.39Å; H421-C425 VanDerWaalsContact O-SG 3.35Å; H421-N432 PolarHBondContact NE2-OD1 3.39Å; H421-W434 HydrophobicContact CB-CD2 4.46Å; H421-W434 HydrophobicContact CB-CE3 3.76Å; H421-W434 HydrophobicContact CB-CH2 3.75Å; H421-W434 HydrophobicContact CB-CZ2 4.45Å; H421-W434 HydrophobicContact CB-CZ3 3.36Å; H421-W434 AromaticContact CD2-CD2 3.7Å; H421-W434 AromaticContact CD2-CE3 3.66Å; H421-W434 AromaticContact CE1-CD1 3.61Å; H421-W434 AromaticContact CE1-CD2 3.46Å; H421-W434 VanDerWaalsContact CE1-CD2 3.46Å; H421-W434 AromaticContact CE1-CE2 3.32Å; H421-W434 AromaticContact CE1-CG 3.66Å; H421-W434 AromaticContact CE1-CZ2 3.83Å; H421-W434 AromaticContact CE1-NE1 3.38Å; H421-W434 PolarHBondContact CE1-NE1 2.87Å; H421-W434 AromaticContact CG-CD2 3.69Å; H421-W434 AromaticContact CG-CE2 3.94Å; H421-W434 AromaticContact CG-CE3 3.46Å; H421-W434 VanDerWaalsContact CG-CE3 3.46Å; H421-W434 AromaticContact CG-CH2 3.78Å; H421-W434 AromaticContact CG-CZ3 3.51Å; H421-W434 AromaticContact ND1-CD2 3.54Å; H421-W434 AromaticContact ND1-CE2 3.31Å; H421-W434 VanDerWaalsContact ND1-CE2 3.31Å; H421-W434 AromaticContact ND1-CE3 3.74Å; H421-W434 AromaticContact ND1-CH2 3.55Å; H421-W434 AromaticContact ND1-CZ2 3.34Å; H421-W434 VanDerWaalsContact ND1-CZ2 3.34Å; H421-W434 WeakPolarHBondContact ND1-CZ2 3.38Å; H421-W434 AromaticContact ND1-CZ3 3.75Å; H421-W434 AromaticContact ND1-NE1 3.84Å; H421-W434 AromaticContact NE2-CD1 3.78Å; H421-W434 AromaticContact NE2-CD2 3.56Å; H421-W434 AromaticContact NE2-CE2 3.93Å; H421-W434 AromaticContact NE2-CG 3.49Å |
| 422 | E | 86.4 | Confident | 82 | Confident | 94 Ų | 94 | 72.9 Ų | 72.9 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -56.1 | -52.9 | 174.1 | -174.4 | 168.9 | -131.5 | 0 | 0 | 111.3 | T418 R420 L424 C425 D426 | T418-E422 PolarHBondContact O-N 2.87Å; R420-E422 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 2.87Å; E422-C425 WeakPolarHBondContact O-CB 3.39Å; E422-C425 PolarHBondContact O-N 3.36Å; E422-C425 VanDerWaalsContact O-N 3.09Å; E422-D426 PolarHBondContact O-N 2.97Å |
| 423 | Q | 86.5 | Confident | 81.1 | Confident | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.4 | -32.5 | 174.2 | -69.6 | 171.9 | -22.6 | 0 | 0 | 114 | R419 R420 Q427 | R419-Q423 WeakPolarHBondContact O-CG 3.48Å; R419-Q423 PolarHBondContact O-N 3.47Å; R420-Q423 PolarHBondContact O-N 2.92Å; Q423-Q427 VanDerWaalsContact O-CB 3.24Å; Q423-Q427 WeakPolarHBondContact O-CB 3.49Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.28Å |
| 424 | L | 85.1 | Confident | 80.1 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.5 | -32.8 | 177.3 | -73 | 171.6 | 0 | 0 | 0 | 112.7 | Y362 Y363 G379 P381 R420 H421 E422 L428 | Y362-L424 HydrophobicContact CE1-CD1 3.88Å; Y362-L424 HydrophobicContact CE1-CD2 3.98Å; Y362-L424 WeakPolarHBondContact OH-CD2 3.16Å; Y363-L424 HydrophobicContact CD1-CD1 3.93Å; Y363-L424 HydrophobicContact CE1-CD1 3.49Å; Y363-L424 VanDerWaalsContact CE1-CD1 3.49Å; G379-L424 WeakPolarHBondContact O-CD2 3.31Å; P381-L424 HydrophobicContact CB-CB 4.07Å; R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 VanDerWaalsContact O-CG 3.3Å; R420-L424 WeakPolarHBondContact O-CG 3.19Å; R420-L424 PolarHBondContact O-N 2.79Å; H421-L424 PolarHBondContact O-N 3.35Å; H421-L424 VanDerWaalsContact O-N 3.13Å; E422-L424 PolarHBondContact O-N 2.87Å; L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 PolarHBondContact O-N 3.24Å |
| 425 | C | 83.1 | Confident | 78.7 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 3% | 0.027 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 170 | -68.8 | 0 | 0 | 0 | 0 | 111 | P381 H421 E422 N429 R430 N432 | P381-C425 VanDerWaalsContact CB-SG 3.57Å; H421-C425 PolarHBondContact NE2-SG 3.39Å; H421-C425 PolarHBondContact O-N 3.22Å; H421-C425 PolarHBondContact O-SG 3.39Å; H421-C425 VanDerWaalsContact O-SG 3.35Å; E422-C425 WeakPolarHBondContact O-CB 3.39Å; E422-C425 PolarHBondContact O-N 3.36Å; E422-C425 VanDerWaalsContact O-N 3.09Å; C425-N429 CarbonylContact O-C 3.52Å; C425-N429 WeakPolarHBondContact O-CA 3.28Å; C425-N429 PolarHBondContact O-N 2.81Å; C425-R430 WeakPolarHBondContact CB-O 3.44Å; C425-R430 PolarHBondContact O-N 3.33Å; C425-N432 HydrophobicContact CB-CB 3.93Å; C425-N432 VanDerWaalsContact SG-CA 3.57Å; C425-N432 VanDerWaalsContact SG-CB 3.58Å |
| 426 | D | 82.6 | Confident | 76.7 | Confident | 119 Ų | 119 | 73.8 Ų | 73.8 | 64% | 0.636 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -64.3 | -50 | 176.2 | -60.3 | -25.6 | 0 | 0 | 0 | 111.3 | E422 L428 N429 | E422-D426 PolarHBondContact O-N 2.97Å; D426-L428 VanDerWaalsContact C-N 3.35Å; D426-L428 PolarHBondContact O-N 3.02Å; D426-N429 PolarHBondContact O-N 3.33Å |
| 427 | Q | 81.4 | Confident | 75 | Confident | 125 Ų | 125 | 77 Ų | 77 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.5 | -35.4 | -178.4 | -76.7 | 166.8 | -2.6 | 0 | 0 | 113.5 | Q423 | Q423-Q427 VanDerWaalsContact O-CB 3.24Å; Q423-Q427 WeakPolarHBondContact O-CB 3.49Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.28Å |
| 428 | L | 75.7 | Confident | 72.9 | Confident | 83 Ų | 83 | 79 Ų | 79 | 44% | 0.435 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 9.9 | 179.8 | -62.9 | 170.4 | 0 | 0 | 0 | 112.9 | L424 D426 R430 | L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 PolarHBondContact O-N 3.24Å; D426-L428 VanDerWaalsContact C-N 3.35Å; D426-L428 PolarHBondContact O-N 3.02Å; L428-R430 PolarHBondContact O-N 3.09Å; L428-R430 VanDerWaalsContact O-N 3.1Å |
| 429 | N | 75.7 | Confident | 70.4 | Confident | 154 Ų | 154 | 77.8 Ų | 77.8 | 82% | 0.824 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 38.2 | 179.7 | -153.2 | 113.5 | 0 | 0 | 0 | 113.2 | C425 D426 | C425-N429 CarbonylContact O-C 3.52Å; C425-N429 WeakPolarHBondContact O-CA 3.28Å; C425-N429 PolarHBondContact O-N 2.81Å; D426-N429 PolarHBondContact O-N 3.33Å |
| 430 | R | 70 | Confident | 68 | Low | 119 Ų | 119 | 71.5 Ų | 71.5 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | trans | -103.6 | 144.2 | -179.7 | -78.2 | -163 | 177.8 | 173 | 7.8 | 111.3 | E380 P381 C425 L428 N432 | E380-R430 VanDerWaalsContact CD-NH2 3.26Å; E380-R430 IonicContact OE1-CZ 3.96Å; E380-R430 IonicContact OE1-NH1 3.52Å; E380-R430 PolarHBondContact OE1-NH1 3.39Å; E380-R430 IonicContact OE1-NH2 3.94Å; E380-R430 PolarHBondContact OE1-NH2 2.96Å; E380-R430 IonicContact OE2-CZ 3.68Å; E380-R430 IonicContact OE2-NH1 3.85Å; E380-R430 PolarHBondContact OE2-NH1 3.21Å; E380-R430 IonicContact OE2-NH2 2.72Å; P381-R430 HydrophobicContact CG-CB 4.47Å; C425-R430 WeakPolarHBondContact CB-O 3.44Å; C425-R430 PolarHBondContact O-N 3.33Å; L428-R430 PolarHBondContact O-N 3.09Å; L428-R430 VanDerWaalsContact O-N 3.1Å; R430-N432 PolarHBondContact O-N 3.26Å | ||
| 431 | E | 66.4 | Low | 65.9 | Low | 171 Ų | 171 | 74.4 Ų | 74.4 | 80% | 0.799 | 40% | 0.401 | S | S | * | . | trans | -59.3 | 121.7 | 172.1 | -65.7 | -177.9 | 178 | 0 | 0 | 110.8 | T433 | E431-T433 PolarHBondContact O-N 3.09Š| ||
| 432 | N | 70.2 | Confident | 63.9 | Low | 28 Ų | 28 | 79.1 Ų | 79.1 | 15% | 0.15 | 42% | 0.424 | C | S | . | . | trans | -68.5 | 98.8 | 178 | -179.1 | -26.4 | 0 | 0 | 0 | 109.4 | H421 C425 R430 W434 N435 S436 | H421-N432 PolarHBondContact NE2-OD1 3.39Å; C425-N432 HydrophobicContact CB-CB 3.93Å; C425-N432 VanDerWaalsContact SG-CA 3.57Å; C425-N432 VanDerWaalsContact SG-CB 3.58Å; R430-N432 PolarHBondContact O-N 3.26Å; N432-W434 VanDerWaalsContact C-N 3.32Å; N432-W434 PolarHBondContact O-N 3.37Å; N432-W434 WeakPolarHBondContact OD1-CB 3.36Å; N432-W434 PolarHBondContact OD1-N 3.24Å; N432-N435 HydrophobicContact CB-CB 3.92Å; N432-N435 PolarHBondContact ND2-ND2 3.15Å; N432-N435 CarbonylContact O-C 3.56Å; N432-N435 WeakPolarHBondContact O-CA 3.44Å; N432-N435 VanDerWaalsContact O-CB 3.24Å; N432-N435 WeakPolarHBondContact O-CB 3.43Å; N432-N435 PolarHBondContact O-N 3.32Å; N432-N435 PolarHBondContact OD1-N 3.45Å; N432-S436 PolarHBondContact O-N 3.34Å | ||
| 433 | T | 64.9 | Low | 61.8 | Low | 80 Ų | 80 | 76.4 Ų | 76.4 | 49% | 0.491 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -76.1 | -18.2 | -177.7 | 35.4 | 0 | 0 | 0 | 0 | 113 | E431 S436 I437 | E431-T433 PolarHBondContact O-N 3.09Å; T433-S436 WeakPolarHBondContact O-CA 3.34Å; T433-S436 WeakPolarHBondContact O-CB 3.29Å; T433-S436 PolarHBondContact O-N 3.25Å; T433-I437 PolarHBondContact O-N 2.81Å |
| 434 | W | 63.4 | Low | 59.8 | Low | 30 Ų | 30 | 80.2 Ų | 80.2 | 11% | 0.114 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.7 | -34.3 | 164.5 | -61.7 | 6.9 | 0 | 0 | 0 | 109.4 | L382 R387 M417 H421 N432 S436 I437 G438 | L382-W434 HydrophobicContact CB-CH2 4.44Å; L382-W434 HydrophobicContact CB-CZ2 4.09Å; L382-W434 WeakPolarHBondContact O-CZ2 3.11Å; L382-W434 PolarHBondContact O-NE1 3.4Å; R387-W434 HydrophobicContact CB-CH2 3.93Å; R387-W434 HydrophobicContact CB-CZ2 3.72Å; R387-W434 VanDerWaalsContact CD-CH2 3.42Å; R387-W434 HydrophobicContact CG-CH2 3.69Å; R387-W434 HydrophobicContact CG-CZ2 3.96Å; R387-W434 HydrophobicContact CG-CZ3 4.34Å; M417-W434 HydrophobicContact CG-CH2 4.34Å; H421-W434 HydrophobicContact CB-CD2 4.46Å; H421-W434 HydrophobicContact CB-CE3 3.76Å; H421-W434 HydrophobicContact CB-CH2 3.75Å; H421-W434 HydrophobicContact CB-CZ2 4.45Å; H421-W434 HydrophobicContact CB-CZ3 3.36Å; H421-W434 AromaticContact CD2-CD2 3.7Å; H421-W434 AromaticContact CD2-CE3 3.66Å; H421-W434 AromaticContact CE1-CD1 3.61Å; H421-W434 AromaticContact CE1-CD2 3.46Å; H421-W434 VanDerWaalsContact CE1-CD2 3.46Å; H421-W434 AromaticContact CE1-CE2 3.32Å; H421-W434 AromaticContact CE1-CG 3.66Å; H421-W434 AromaticContact CE1-CZ2 3.83Å; H421-W434 AromaticContact CE1-NE1 3.38Å; H421-W434 PolarHBondContact CE1-NE1 2.87Å; H421-W434 AromaticContact CG-CD2 3.69Å; H421-W434 AromaticContact CG-CE2 3.94Å; H421-W434 AromaticContact CG-CE3 3.46Å; H421-W434 VanDerWaalsContact CG-CE3 3.46Å; H421-W434 AromaticContact CG-CH2 3.78Å; H421-W434 AromaticContact CG-CZ3 3.51Å; H421-W434 AromaticContact ND1-CD2 3.54Å; H421-W434 AromaticContact ND1-CE2 3.31Å; H421-W434 VanDerWaalsContact ND1-CE2 3.31Å; H421-W434 AromaticContact ND1-CE3 3.74Å; H421-W434 AromaticContact ND1-CH2 3.55Å; H421-W434 AromaticContact ND1-CZ2 3.34Å; H421-W434 VanDerWaalsContact ND1-CZ2 3.34Å; H421-W434 WeakPolarHBondContact ND1-CZ2 3.38Å; H421-W434 AromaticContact ND1-CZ3 3.75Å; H421-W434 AromaticContact ND1-NE1 3.84Å; H421-W434 AromaticContact NE2-CD1 3.78Å; H421-W434 AromaticContact NE2-CD2 3.56Å; H421-W434 AromaticContact NE2-CE2 3.93Å; H421-W434 AromaticContact NE2-CG 3.49Å; N432-W434 VanDerWaalsContact C-N 3.32Å; N432-W434 PolarHBondContact O-N 3.37Å; N432-W434 WeakPolarHBondContact OD1-CB 3.36Å; N432-W434 PolarHBondContact OD1-N 3.24Å; W434-S436 PolarHBondContact O-N 3.3Å; W434-I437 PolarHBondContact O-N 3.03Å; W434-G438 WeakPolarHBondContact O-CA 3.16Å; W434-G438 PolarHBondContact O-N 3.05Å |
| 435 | N | 54.2 | Low | 57.9 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 39% | 0.39 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78 | 21.6 | 162.8 | -71.7 | -8.8 | 0 | 0 | 0 | 114.1 | N432 C439 | N432-N435 HydrophobicContact CB-CB 3.92Å; N432-N435 PolarHBondContact ND2-ND2 3.15Å; N432-N435 CarbonylContact O-C 3.56Å; N432-N435 WeakPolarHBondContact O-CA 3.44Å; N432-N435 VanDerWaalsContact O-CB 3.24Å; N432-N435 WeakPolarHBondContact O-CB 3.43Å; N432-N435 PolarHBondContact O-N 3.32Å; N432-N435 PolarHBondContact OD1-N 3.45Å; N435-C439 VanDerWaalsContact CA-CB 3.47Å; N435-C439 HydrophobicContact CB-CB 3.68Å; N435-C439 CarbonylContact O-C 3.57Å; N435-C439 WeakPolarHBondContact O-CA 3.41Å; N435-C439 WeakPolarHBondContact O-CB 3.31Å; N435-C439 PolarHBondContact OD1-SG 3.38Å |
| 436 | S | 46.8 | Very low | 56.4 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -122.2 | -30.5 | 160.9 | -73.9 | 0 | 0 | 0 | 0 | 112.5 | N432 T433 W434 G440 | N432-S436 PolarHBondContact O-N 3.34Å; T433-S436 WeakPolarHBondContact O-CA 3.34Å; T433-S436 WeakPolarHBondContact O-CB 3.29Å; T433-S436 PolarHBondContact O-N 3.25Å; W434-S436 PolarHBondContact O-N 3.3Å; S436-G440 WeakPolarHBondContact O-CA 3.37Å; S436-G440 PolarHBondContact O-N 3.01Å |
| 437 | I | 50 | Low | 55 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 62% | 0.621 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -81.4 | -38.4 | 172.7 | -59.6 | 175.2 | 0 | 0 | 0 | 110.7 | E384 T433 W434 | E384-I437 WeakPolarHBondContact OE2-CD1 3.39Å; T433-I437 PolarHBondContact O-N 2.81Å; W434-I437 PolarHBondContact O-N 3.03Å |
| 438 | G | 40.3 | Very low | 53.8 | Low | 46 Ų | 46 | 92.8 Ų | 92.8 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -47.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113 | W434 L441 | W434-G438 WeakPolarHBondContact O-CA 3.16Å; W434-G438 PolarHBondContact O-N 3.05Å; G438-L441 PolarHBondContact O-N 2.91Å |
| 439 | C | 36 | Very low | 53.2 | Low | 29 Ų | 29 | 95.5 Ų | 95.5 | 20% | 0.196 | 50% | 0.498 | C | S | . | . | G | 310 helix | trans | -95.3 | 10.3 | -176.2 | -59.4 | 0 | 0 | 0 | 0 | 115.2 | N435 L441 M442 G443 | N435-C439 VanDerWaalsContact CA-CB 3.47Å; N435-C439 HydrophobicContact CB-CB 3.68Å; N435-C439 CarbonylContact O-C 3.57Å; N435-C439 WeakPolarHBondContact O-CA 3.41Å; N435-C439 WeakPolarHBondContact O-CB 3.31Å; N435-C439 PolarHBondContact OD1-SG 3.38Å; C439-L441 PolarHBondContact O-N 3.37Å; C439-M442 HydrophobicContact CB-CB 3.61Å; C439-M442 HydrophobicContact CB-CG 4.06Å; C439-M442 CarbonylContact O-C 3.58Å; C439-M442 PolarHBondContact O-N 3.3Å; C439-M442 VanDerWaalsContact SG-CG 3.57Å; C439-G443 PolarHBondContact O-N 3.3Å |
| 440 | G | 35.3 | Very low | 52.7 | Low | 42 Ų | 42 | 93.4 Ų | 93.4 | 43% | 0.433 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -59.7 | -17.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S436 | S436-G440 WeakPolarHBondContact O-CA 3.37Å; S436-G440 PolarHBondContact O-N 3.01Å |
| 441 | L | 42.7 | Very low | 52.9 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 48% | 0.482 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -94 | -11.9 | 167.5 | -153.8 | 74.1 | 0 | 0 | 0 | 113.7 | G438 C439 R445 | G438-L441 PolarHBondContact O-N 2.91Å; C439-L441 PolarHBondContact O-N 3.37Å; L441-R445 VanDerWaalsContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CD 3.22Å; L441-R445 WeakPolarHBondContact O-CG 3.41Å; L441-R445 PolarHBondContact O-N 3.13Å |
| 442 | M | 45.8 | Very low | 53.2 | Low | 102 Ų | 102 | 89.6 Ų | 89.6 | 50% | 0.502 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -34.2 | -173.2 | -55.3 | -92.2 | -95.3 | 0 | 0 | 113.8 | C439 K444 R445 Q446 | C439-M442 HydrophobicContact CB-CB 3.61Å; C439-M442 HydrophobicContact CB-CG 4.06Å; C439-M442 CarbonylContact O-C 3.58Å; C439-M442 PolarHBondContact O-N 3.3Å; C439-M442 VanDerWaalsContact SG-CG 3.57Å; M442-K444 VanDerWaalsContact C-N 3.28Å; M442-K444 PolarHBondContact O-N 2.74Å; M442-R445 CarbonylContact O-C 3.39Å; M442-R445 WeakPolarHBondContact O-CA 3.49Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 2.76Å; M442-Q446 PolarHBondContact O-N 3.02Å |
| 443 | G | 41.6 | Very low | 53.5 | Low | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -45.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110 | C439 R445 Q446 D447 | C439-G443 PolarHBondContact O-N 3.3Å; G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.77Å; G443-Q446 PolarHBondContact O-N 2.9Å; G443-Q446 VanDerWaalsContact O-N 3.12Å; G443-D447 PolarHBondContact O-N 3.17Å |
| 444 | K | 44.2 | Very low | 54.1 | Low | 161 Ų | 161 | 96.8 Ų | 96.8 | 70% | 0.7 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.4 | -25.1 | 168.8 | -75.4 | -173.1 | 177.1 | 178.7 | 0 | 114.4 | M442 H448 | M442-K444 VanDerWaalsContact C-N 3.28Å; M442-K444 PolarHBondContact O-N 2.74Å; K444-H448 WeakPolarHBondContact O-CB 3.1Å; K444-H448 PolarHBondContact O-N 3.07Å |
| 445 | R | 46.3 | Very low | 54.8 | Low | 149 Ų | 149 | 101.3 Ų | 101.3 | 56% | 0.562 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -74.7 | -37.6 | 168.7 | -82.8 | 163.5 | 170.2 | -97.7 | 1.9 | 111.8 | L441 M442 G443 H448 Q449 | L441-R445 VanDerWaalsContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CD 3.22Å; L441-R445 WeakPolarHBondContact O-CG 3.41Å; L441-R445 PolarHBondContact O-N 3.13Å; M442-R445 CarbonylContact O-C 3.39Å; M442-R445 WeakPolarHBondContact O-CA 3.49Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 2.76Å; G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.77Å; R445-H448 PolarHBondContact O-N 3.32Å; R445-Q449 WeakPolarHBondContact O-CA 3.46Å; R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 3.47Å |
| 446 | Q | 50.5 | Low | 56 | Low | 148 Ų | 148 | 104 Ų | 104 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.5 | -44.8 | -180 | -163.3 | 163.4 | 5.5 | 0 | 0 | 110.8 | M442 G443 Q449 M450 | M442-Q446 PolarHBondContact O-N 3.02Å; G443-Q446 PolarHBondContact O-N 2.9Å; G443-Q446 VanDerWaalsContact O-N 3.12Å; Q446-Q449 PolarHBondContact O-N 3.46Å; Q446-M450 VanDerWaalsContact O-CB 3.23Å; Q446-M450 WeakPolarHBondContact O-CB 3.44Å; Q446-M450 PolarHBondContact O-N 3.07Å |
| 447 | D | 52.9 | Low | 57.7 | Low | 102 Ų | 102 | 105.6 Ų | 105.6 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 170.4 | -81.2 | -43.1 | 0 | 0 | 0 | 112.4 | G443 M450 Q451 | G443-D447 PolarHBondContact O-N 3.17Å; D447-M450 PolarHBondContact O-N 3.43Å; D447-Q451 WeakPolarHBondContact O-CB 3.41Å; D447-Q451 PolarHBondContact O-N 2.86Å |
| 448 | H | 56.8 | Low | 59.2 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 52% | 0.523 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.4 | -27.7 | -178.7 | -162.3 | 63.3 | 0 | 0 | 0 | 112.7 | K444 R445 Q452 | K444-H448 WeakPolarHBondContact O-CB 3.1Å; K444-H448 PolarHBondContact O-N 3.07Å; R445-H448 PolarHBondContact O-N 3.32Å; H448-Q452 WeakPolarHBondContact O-CB 3.48Å; H448-Q452 PolarHBondContact O-N 3.03Å |
| 449 | Q | 62.3 | Low | 61.2 | Low | 141 Ų | 141 | 110.4 Ų | 110.4 | 66% | 0.659 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -74 | -40.9 | 171.9 | -174.2 | 172 | 12.2 | 0 | 0 | 110.9 | R445 Q446 Q452 Q453 | R445-Q449 WeakPolarHBondContact O-CA 3.46Å; R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 3.47Å; Q446-Q449 PolarHBondContact O-N 3.46Å; Q449-Q452 PolarHBondContact O-N 3.28Å; Q449-Q453 VanDerWaalsContact O-CB 3.31Å; Q449-Q453 WeakPolarHBondContact O-CB 3.2Å; Q449-Q453 PolarHBondContact O-N 3.09Å |
| 450 | M | 66.9 | Low | 63.5 | Low | 110 Ų | 110 | 114.7 Ų | 114.7 | 54% | 0.542 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.8 | -41 | 171.9 | -175.1 | 165.6 | 60.3 | 0 | 0 | 111.5 | Q446 D447 Q453 Q454 | Q446-M450 VanDerWaalsContact O-CB 3.23Å; Q446-M450 WeakPolarHBondContact O-CB 3.44Å; Q446-M450 PolarHBondContact O-N 3.07Å; D447-M450 PolarHBondContact O-N 3.43Å; M450-Q453 PolarHBondContact O-N 2.92Å; M450-Q454 VanDerWaalsContact O-CB 3.28Å; M450-Q454 WeakPolarHBondContact O-CB 3.26Å; M450-Q454 PolarHBondContact O-N 3.25Å |
| 451 | Q | 73 | Confident | 65.8 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.6 | -38.1 | 174.6 | -176.3 | 172.4 | 78.9 | 0 | 0 | 112.3 | D447 Q454 Q455 | D447-Q451 WeakPolarHBondContact O-CB 3.41Å; D447-Q451 PolarHBondContact O-N 2.86Å; Q451-Q454 PolarHBondContact O-N 3.01Å; Q451-Q455 WeakPolarHBondContact O-CB 3.41Å; Q451-Q455 WeakPolarHBondContact O-CG 3.49Å; Q451-Q455 PolarHBondContact O-N 2.77Å |
| 452 | Q | 73.8 | Confident | 67.8 | Low | 105 Ų | 105 | 119.7 Ų | 119.7 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.6 | -37.7 | 175.9 | -172.8 | 169.2 | 99.3 | 0 | 0 | 111.7 | H448 Q449 Q455 Q456 | H448-Q452 WeakPolarHBondContact O-CB 3.48Å; H448-Q452 PolarHBondContact O-N 3.03Å; Q449-Q452 PolarHBondContact O-N 3.28Å; Q452-Q455 PolarHBondContact O-N 3.18Å; Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 2.88Å |
| 453 | Q | 75 | Confident | 69.5 | Low | 129 Ų | 129 | 120.5 Ų | 120.5 | 60% | 0.603 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -40.8 | 171.4 | -172.4 | 174.2 | 63.8 | 0 | 0 | 111.5 | Q449 M450 Q456 L457 | Q449-Q453 VanDerWaalsContact O-CB 3.31Å; Q449-Q453 WeakPolarHBondContact O-CB 3.2Å; Q449-Q453 PolarHBondContact O-N 3.09Å; M450-Q453 PolarHBondContact O-N 2.92Å; Q453-Q456 PolarHBondContact O-N 3.43Å; Q453-L457 HydrophobicContact CG-CD1 4.22Å; Q453-L457 WeakPolarHBondContact O-CD1 3.37Å; Q453-L457 PolarHBondContact O-N 3.05Å |
| 454 | Q | 78.7 | Confident | 71.3 | Confident | 130 Ų | 130 | 123.8 Ų | 123.8 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.1 | -37.9 | 175.2 | -169.4 | 175.6 | 97.9 | 0 | 0 | 112.1 | M450 Q451 Q458 | M450-Q454 VanDerWaalsContact O-CB 3.28Å; M450-Q454 WeakPolarHBondContact O-CB 3.26Å; M450-Q454 PolarHBondContact O-N 3.25Å; Q451-Q454 PolarHBondContact O-N 3.01Å; Q454-Q458 WeakPolarHBondContact O-CB 3.42Å; Q454-Q458 PolarHBondContact O-N 2.86Å |
| 455 | Q | 78.7 | Confident | 73 | Confident | 125 Ų | 125 | 121.6 Ų | 121.6 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.9 | -39 | 171.6 | -77 | -178.9 | 11.6 | 0 | 0 | 112.3 | Q451 Q452 Q458 H459 | Q451-Q455 WeakPolarHBondContact O-CB 3.41Å; Q451-Q455 WeakPolarHBondContact O-CG 3.49Å; Q451-Q455 PolarHBondContact O-N 2.77Å; Q452-Q455 PolarHBondContact O-N 3.18Å; Q455-Q458 PolarHBondContact O-N 3.32Å; Q455-H459 WeakPolarHBondContact O-CB 3.34Å; Q455-H459 PolarHBondContact O-N 3.13Å |
| 456 | Q | 78.1 | Confident | 74.3 | Confident | 128 Ų | 128 | 120 Ų | 120 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -43.9 | 175.5 | -74.4 | 179.5 | 11.2 | 0 | 0 | 112.4 | Q452 Q453 Q458 H459 Q460 | Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 2.88Å; Q453-Q456 PolarHBondContact O-N 3.43Å; Q456-Q458 VanDerWaalsContact C-N 3.35Å; Q456-Q458 PolarHBondContact O-N 3.2Å; Q456-H459 PolarHBondContact O-N 3.41Å; Q456-Q460 WeakPolarHBondContact O-CB 3.46Å; Q456-Q460 PolarHBondContact O-N 3.1Å |
| 457 | L | 82.3 | Confident | 75.4 | Confident | 104 Ų | 104 | 117.4 Ų | 117.4 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.2 | -42.2 | 173.3 | -93.9 | 91.7 | 0 | 0 | 0 | 112.3 | Q453 Q460 Q461 | Q453-L457 HydrophobicContact CG-CD1 4.22Å; Q453-L457 WeakPolarHBondContact O-CD1 3.37Å; Q453-L457 PolarHBondContact O-N 3.05Å; L457-Q460 PolarHBondContact O-N 2.96Å; L457-Q461 PolarHBondContact O-N 3.4Å |
| 458 | Q | 81.6 | Confident | 76.2 | Confident | 139 Ų | 139 | 119 Ų | 119 | 65% | 0.65 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -67.9 | -37.5 | -179.3 | -161.9 | 175.4 | 108.3 | 0 | 0 | 111.9 | Q454 Q455 Q456 L462 | Q454-Q458 WeakPolarHBondContact O-CB 3.42Å; Q454-Q458 PolarHBondContact O-N 2.86Å; Q455-Q458 PolarHBondContact O-N 3.32Å; Q456-Q458 VanDerWaalsContact C-N 3.35Å; Q456-Q458 PolarHBondContact O-N 3.2Å; Q458-L462 PolarHBondContact O-N 2.72Å; Q458-L462 VanDerWaalsContact O-N 3.09Å |
| 459 | H | 82.4 | Confident | 76.6 | Confident | 129 Ų | 129 | 118.8 Ų | 118.8 | 60% | 0.597 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -40 | 174 | -156.4 | 88.1 | 0 | 0 | 0 | 111.8 | Q455 Q456 L462 Q463 | Q455-H459 WeakPolarHBondContact O-CB 3.34Å; Q455-H459 PolarHBondContact O-N 3.13Å; Q456-H459 PolarHBondContact O-N 3.41Å; H459-L462 PolarHBondContact O-N 3.33Å; H459-Q463 WeakPolarHBondContact O-CB 3.18Å; H459-Q463 PolarHBondContact O-N 3.36Å |
| 460 | Q | 83.9 | Confident | 76.6 | Confident | 119 Ų | 119 | 117.4 Ų | 117.4 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65 | -40.1 | 177.1 | -169.6 | 179 | 96.9 | 0 | 0 | 112.4 | Q456 L457 Q463 Q464 | Q456-Q460 WeakPolarHBondContact O-CB 3.46Å; Q456-Q460 PolarHBondContact O-N 3.1Å; L457-Q460 PolarHBondContact O-N 2.96Å; Q460-Q463 PolarHBondContact O-N 3.18Å; Q460-Q464 WeakPolarHBondContact O-CG 3.32Å; Q460-Q464 PolarHBondContact O-N 3.23Å; Q460-Q464 VanDerWaalsContact O-N 3.11Å |
| 461 | Q | 84.3 | Confident | 76.2 | Confident | 135 Ų | 135 | 116.4 Ų | 116.4 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.5 | -42.7 | 172.7 | -75.7 | -167.9 | 8.9 | 0 | 0 | 112.3 | L457 Q463 Q464 Q465 | L457-Q461 PolarHBondContact O-N 3.4Å; Q461-Q463 VanDerWaalsContact C-N 3.3Å; Q461-Q463 PolarHBondContact O-N 2.85Å; Q461-Q464 PolarHBondContact O-N 3.08Å; Q461-Q465 WeakPolarHBondContact O-CB 3.36Å; Q461-Q465 PolarHBondContact O-N 2.85Å |
| 462 | L | 84.5 | Confident | 75.5 | Confident | 103 Ų | 103 | 119.1 Ų | 119.1 | 54% | 0.539 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.4 | -38.4 | 179 | -168 | 69.2 | 0 | 0 | 0 | 111.5 | Q458 H459 Q465 Q466 | Q458-L462 PolarHBondContact O-N 2.72Å; Q458-L462 VanDerWaalsContact O-N 3.09Å; H459-L462 PolarHBondContact O-N 3.33Å; L462-Q465 PolarHBondContact O-N 2.97Å; L462-Q466 PolarHBondContact O-N 2.81Å |
| 463 | Q | 82.1 | Confident | 74.6 | Confident | 119 Ų | 119 | 121 Ų | 121 | 56% | 0.556 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -48.7 | 176.6 | -166.8 | 164.3 | 48 | 0 | 0 | 111.7 | H459 Q460 Q461 Q465 Q466 E467 | H459-Q463 WeakPolarHBondContact O-CB 3.18Å; H459-Q463 PolarHBondContact O-N 3.36Å; Q460-Q463 PolarHBondContact O-N 3.18Å; Q461-Q463 VanDerWaalsContact C-N 3.3Å; Q461-Q463 PolarHBondContact O-N 2.85Å; Q463-Q465 VanDerWaalsContact C-N 3.28Å; Q463-Q465 PolarHBondContact O-N 2.88Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Q463-Q466 VanDerWaalsContact O-N 3.16Å; Q463-E467 WeakPolarHBondContact O-CB 3.49Å; Q463-E467 PolarHBondContact O-N 3.5Å |
| 464 | Q | 79.6 | Confident | 73.5 | Confident | 106 Ų | 106 | 121.7 Ų | 121.7 | 50% | 0.495 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -59.1 | -37.5 | 174.6 | -71.3 | -178.4 | 30.4 | 0 | 0 | 112.7 | Q460 Q461 Q466 E467 Q468 | Q460-Q464 WeakPolarHBondContact O-CG 3.32Å; Q460-Q464 PolarHBondContact O-N 3.23Å; Q460-Q464 VanDerWaalsContact O-N 3.11Å; Q461-Q464 PolarHBondContact O-N 3.08Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q464-E467 PolarHBondContact O-N 2.96Å; Q464-Q468 WeakPolarHBondContact O-CG 3.44Å; Q464-Q468 PolarHBondContact O-N 3.36Å |
| 465 | Q | 78.9 | Confident | 72 | Confident | 115 Ų | 115 | 119.9 Ų | 119.9 | 54% | 0.537 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -71 | -31.5 | 179.2 | -154.3 | 177.7 | 112.1 | 0 | 0 | 112.4 | Q461 L462 Q463 Q469 | Q461-Q465 WeakPolarHBondContact O-CB 3.36Å; Q461-Q465 PolarHBondContact O-N 2.85Å; L462-Q465 PolarHBondContact O-N 2.97Å; Q463-Q465 VanDerWaalsContact C-N 3.28Å; Q463-Q465 PolarHBondContact O-N 2.88Å; Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 3.32Å |
| 466 | Q | 75.1 | Confident | 70.4 | Confident | 114 Ų | 114 | 118.2 Ų | 118.2 | 53% | 0.533 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -73.7 | -38.2 | 173.8 | -145.5 | 174.8 | 108.8 | 0 | 0 | 111.7 | L462 Q463 Q464 Q469 Q470 | L462-Q466 PolarHBondContact O-N 2.81Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Q463-Q466 VanDerWaalsContact O-N 3.16Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q466-Q469 PolarHBondContact O-N 3.22Å; Q466-Q470 PolarHBondContact O-N 3Å |
| 467 | E | 72.3 | Confident | 68.8 | Low | 95 Ų | 95 | 116.2 Ų | 116.2 | 44% | 0.444 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.2 | -40.6 | 175.7 | -161 | 168.7 | 123.9 | 0 | 0 | 111.7 | Q463 Q464 Q470 T471 Q1214 | Q463-E467 WeakPolarHBondContact O-CB 3.49Å; Q463-E467 PolarHBondContact O-N 3.5Å; Q464-E467 PolarHBondContact O-N 2.96Å; E467-Q470 PolarHBondContact O-N 3.5Å; E467-T471 WeakPolarHBondContact O-CB 3.48Å; E467-T471 PolarHBondContact O-N 3.42Å; E467-T471 PolarHBondContact O-OG1 3.18Å; E467-Q1214 PolarHBondContact OE1-NE2 3.14Å |
| 468 | Q | 70.4 | Confident | 66.7 | Low | 134 Ų | 134 | 118.8 Ų | 118.8 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -38.9 | 171.5 | -72.6 | -179 | 25.9 | 0 | 0 | 112.7 | Q464 Q472 | Q464-Q468 WeakPolarHBondContact O-CG 3.44Å; Q464-Q468 PolarHBondContact O-N 3.36Å; Q468-Q472 VanDerWaalsContact O-CB 3.29Å; Q468-Q472 WeakPolarHBondContact O-CB 3.3Å; Q468-Q472 PolarHBondContact O-N 2.77Å |
| 469 | Q | 65.8 | Low | 64.5 | Low | 110 Ų | 110 | 115.9 Ų | 115.9 | 51% | 0.514 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -69.7 | -38.9 | 176.8 | -75.2 | -175.2 | 45.9 | 0 | 0 | 113.1 | Q465 Q466 Q472 Q473 | Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 3.32Å; Q466-Q469 PolarHBondContact O-N 3.22Å; Q469-Q472 PolarHBondContact O-N 3.37Å; Q469-Q473 WeakPolarHBondContact O-CG 3.04Å; Q469-Q473 PolarHBondContact O-N 2.92Å; Q469-Q473 VanDerWaalsContact O-N 3.07Å |
| 470 | Q | 61.3 | Low | 62.4 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 52% | 0.519 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.5 | -44.3 | 173.8 | -70.5 | -171 | 19.9 | 0 | 0 | 111.3 | Q466 E467 Q472 Q473 Q474 | Q466-Q470 PolarHBondContact O-N 3Å; E467-Q470 PolarHBondContact O-N 3.5Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.4Å; Q470-Q473 PolarHBondContact O-N 3.04Å; Q470-Q473 VanDerWaalsContact O-N 3.14Å; Q470-Q474 PolarHBondContact O-N 3.21Å |
| 471 | T | 58.6 | Low | 60.3 | Low | 90 Ų | 90 | 110.8 Ų | 110.8 | 55% | 0.552 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.6 | -38 | 176 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | E467 A475 | E467-T471 WeakPolarHBondContact O-CB 3.48Å; E467-T471 PolarHBondContact O-N 3.42Å; E467-T471 PolarHBondContact O-OG1 3.18Å; T471-A475 WeakPolarHBondContact O-CB 3.37Å; T471-A475 PolarHBondContact O-N 3.25Å |
| 472 | Q | 57.5 | Low | 58.4 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 76% | 0.757 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.6 | -18.1 | 179.3 | -167 | 161.8 | 97 | 0 | 0 | 114.1 | Q468 Q469 Q470 | Q468-Q472 VanDerWaalsContact O-CB 3.29Å; Q468-Q472 WeakPolarHBondContact O-CB 3.3Å; Q468-Q472 PolarHBondContact O-N 2.77Å; Q469-Q472 PolarHBondContact O-N 3.37Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.4Å |
| 473 | Q | 55.4 | Low | 56.3 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -94.6 | -31.5 | 173.4 | -70.1 | -176.6 | 13.9 | 0 | 0 | 113.2 | Q469 Q470 | Q469-Q473 WeakPolarHBondContact O-CG 3.04Å; Q469-Q473 PolarHBondContact O-N 2.92Å; Q469-Q473 VanDerWaalsContact O-N 3.07Å; Q470-Q473 PolarHBondContact O-N 3.04Å; Q470-Q473 VanDerWaalsContact O-N 3.14Å |
| 474 | Q | 52.4 | Low | 54.2 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.7 | -24 | 175.8 | -72.5 | 178.4 | -19.2 | 0 | 0 | 113.1 | Q470 A476 A477 | Q470-Q474 PolarHBondContact O-N 3.21Å; Q474-A476 PolarHBondContact O-N 3.45Å; Q474-A477 PolarHBondContact O-N 2.98Å |
| 475 | A | 47.6 | Very low | 52.8 | Low | 91 Ų | 91 | 112.3 Ų | 112.3 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T471 | T471-A475 WeakPolarHBondContact O-CB 3.37Å; T471-A475 PolarHBondContact O-N 3.25Å |
| 476 | A | 44.8 | Very low | 51 | Low | 91 Ų | 91 | 113.9 Ų | 113.9 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.3 | 4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q474 | Q474-A476 PolarHBondContact O-N 3.45Š|
| 477 | A | 44.2 | Very low | 49.6 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -128.1 | -6.4 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117 | Q474 | Q474-A477 PolarHBondContact O-N 2.98Š|
| 478 | D | 38.6 | Very low | 48.4 | Very low | 157 Ų | 157 | 118 Ų | 118 | 84% | 0.84 | 72% | 0.718 | S | S | * | * | trans | -111 | 103.8 | -175 | -149.5 | -26.2 | 0 | 0 | 0 | 112.1 | ||||
| 479 | G | 35.6 | Very low | 47.1 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | trans | -145.5 | 54.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 480 | G | 36.8 | Very low | 46.1 | Very low | 71 Ų | 71 | 119.6 Ų | 119.6 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | 89.4 | 150 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 481 | G | 40 | Very low | 45.5 | Very low | 69 Ų | 69 | 121.9 Ų | 121.9 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | cis | 150.7 | 154.1 | 1.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 482 | C | 44.3 | Very low | 44.4 | Very low | 124 Ų | 124 | 123.3 Ų | 123.3 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | 66.2 | 152.6 | -172.8 | -65.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 483 | I | 40.4 | Very low | 43.7 | Very low | 142 Ų | 142 | 121 Ų | 121 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | cis | -152.2 | 144.9 | -11.2 | -106.8 | 156.4 | 0 | 0 | 0 | 106.9 | ||||
| 484 | P | 39.4 | Very low | 43.1 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | trans | -85.2 | 136.7 | 167.4 | 33.2 | -31.7 | 0 | 0 | 0 | 112.3 | ||||
| 485 | S | 50.3 | Low | 42.1 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -86.4 | 116.8 | 172.5 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 486 | L | 41.3 | Very low | 41.2 | Very low | 148 Ų | 148 | 119.6 Ų | 119.6 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | 74.2 | 120.3 | 74.8 | -154.8 | 91.3 | 0 | 0 | 0 | 112 | |||||
| 487 | L | 44.4 | Very low | 40.5 | Very low | 141 Ų | 141 | 123.5 Ų | 123.5 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 70.1 | 126.1 | -163 | -67.3 | 71.5 | 0 | 0 | 0 | 113.1 | ||||
| 488 | D | 47.1 | Very low | 39.8 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | -122.7 | 117.1 | -4.9 | -84.6 | -32.1 | 0 | 0 | 0 | 112.5 | ||||
| 489 | M | 43.4 | Very low | 39.4 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -95.7 | 170.1 | 160.2 | 175.8 | 170.9 | 53.5 | 0 | 0 | 107.6 | ||||
| 490 | V | 45.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 66% | 0.661 | 75% | 0.745 | S | S | * | * | trans | 81 | 126.4 | -171.3 | -173.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 491 | I | 47.2 | Very low | 38.7 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | S | Bend | cis | -111.8 | 108.3 | 13.9 | -60.2 | 173.2 | 0 | 0 | 0 | 108.6 | ||
| 492 | N | 35.5 | Very low | 38.3 | Very low | 121 Ų | 121 | 139 Ų | 139 | 65% | 0.647 | 75% | 0.749 | S | S | * | * | 81.6 | 140 | 81.6 | -91.2 | -17.4 | 0 | 0 | 0 | 115.5 | |||||
| 493 | P | 43 | Very low | 37.8 | Very low | 113 Ų | 113 | 145 Ų | 145 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | -124.8 | -110.8 | -126.5 | 25 | 0.8 | 0 | 0 | 0 | 116.2 | |||||
| 494 | P | 44.4 | Very low | 37.3 | Very low | 105 Ų | 105 | 148 Ų | 148 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -112.8 | -144.6 | -137.9 | 40.1 | -20.7 | 0 | 0 | 0 | 111.7 | ||||
| 495 | L | 29.9 | Very low | 37.3 | Very low | 158 Ų | 158 | 148 Ų | 148 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 80.5 | 131.4 | -173.9 | -51.5 | 170.5 | 0 | 0 | 0 | 112.3 | ||||
| 496 | S | 29.7 | Very low | 36.6 | Very low | 87 Ų | 87 | 151.6 Ų | 151.6 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | cis | 139 | 131 | -7.3 | 56.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 497 | E | 29.6 | Very low | 36.2 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | 70 | 165 | 168.9 | -50.2 | -164.5 | 130.6 | 0 | 0 | 119.5 | ||||
| 498 | N | 28.7 | Very low | 35.4 | Very low | 102 Ų | 102 | 154.4 Ų | 154.4 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | trans | 85.9 | 88.6 | 156 | -66.6 | -67.9 | 0 | 0 | 0 | 120.8 | ||||
| 499 | K | 30.3 | Very low | 34.5 | Very low | 180 Ų | 180 | 150.6 Ų | 150.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | 82.1 | 104.5 | 125.9 | -65.2 | 156 | -178.9 | 145.1 | 0 | 120.2 | |||||
| 500 | R | 29.4 | Very low | 33.7 | Very low | 216 Ų | 216 | 147.4 Ų | 147.4 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | 99.9 | 121.2 | 123.5 | -152.4 | 179.1 | -167.5 | -167.8 | 4.3 | 118.2 | |||||
| 501 | K | 29.2 | Very low | 32.8 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 79.7 | 133.9 | -178.7 | -52.2 | 166 | -177.8 | 176.4 | 0 | 112.8 | ||||
| 502 | S | 31.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 148.9 Ų | 148.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | cis | -146.1 | 149.9 | 6.4 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 503 | R | 32.9 | Very low | 31.5 | Very low | 251 Ų | 251 | 147.9 Ų | 147.9 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | 48.3 | 95.5 | 175.5 | -84.3 | -177.2 | 164 | 164.7 | -5.3 | 115.1 | ||||
| 504 | W | 31 | Very low | 30.9 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -91 | 156 | -165.9 | -71.7 | 70.9 | 0 | 0 | 0 | 114.5 | ||||
| 505 | T | 38.3 | Very low | 30.3 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -80.2 | -174.8 | 179.6 | 51.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 506 | E | 37.3 | Very low | 30.4 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -27.5 | 152 | 164.5 | -46.8 | 171.2 | 110.6 | 0 | 0 | 116.8 | ||||
| 507 | K | 31.4 | Very low | 30.4 | Very low | 174 Ų | 174 | 145 Ų | 145 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | 168.9 | 117.9 | 115.7 | -179.4 | 168.3 | -175.3 | 171.3 | 0 | 114.7 | |||||
| 508 | M | 29.1 | Very low | 30.5 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | 58 | 166.6 | 152.6 | -65.2 | 171.3 | 173.3 | 0 | 0 | 120.5 | ||||
| 509 | G | 27.7 | Very low | 30.6 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | 95.6 | 79.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 510 | A | 25.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | 74.6 | 130 | 65.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 511 | K | 26.3 | Very low | 30.6 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 91% | 0.913 | 81% | 0.812 | S | S | * | * | trans | 92.3 | 133.9 | 154.5 | -151.3 | 175 | -174.2 | 177.6 | 0 | 119.1 | ||||
| 512 | A | 27.5 | Very low | 30.8 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | 82.8 | 91.1 | 158 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 513 | A | 29 | Very low | 30.8 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | 89.3 | 127.9 | 112.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 514 | A | 30.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | 62.4 | 126.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 515 | G | 31.2 | Very low | 30.8 | Very low | 75 Ų | 75 | 125.2 Ų | 125.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | cis | 172.9 | 163.7 | -9.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 516 | A | 31.2 | Very low | 30.7 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | trans | 59.7 | 102.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 517 | A | 29.7 | Very low | 30.7 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | 178.5 | 145.5 | 110.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 518 | G | 31.5 | Very low | 30.7 | Very low | 76 Ų | 76 | 119.7 Ų | 119.7 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 107.9 | 101.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 519 | S | 31.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 115.8 Ų | 115.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -35.5 | 155.3 | 154.3 | 46.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 520 | S | 31.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 122 Ų | 122 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | cis | -172 | 141.4 | -7.1 | -87.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 521 | E | 29.9 | Very low | 32.3 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | trans | -168.8 | 151.1 | 165.5 | -101.1 | -113.6 | 87.1 | 0 | 0 | 113.4 | ||||
| 522 | R | 33.5 | Very low | 33 | Very low | 205 Ų | 205 | 120.1 Ų | 120.1 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | 66.5 | 125.2 | 157 | -64.7 | 167.4 | -155.1 | -135.1 | -3.1 | 122.4 | ||||
| 523 | D | 29.9 | Very low | 34.2 | Very low | 139 Ų | 139 | 118.5 Ų | 118.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | -117.3 | 172.3 | 93.3 | -155.2 | 42.1 | 0 | 0 | 0 | 106.5 | |||||
| 524 | S | 32 | Very low | 35.6 | Very low | 88 Ų | 88 | 118.1 Ų | 118.1 | 62% | 0.615 | 75% | 0.753 | S | S | * | * | cis | -149.1 | 168.8 | 15.6 | -51.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 525 | T | 32.3 | Very low | 37 | Very low | 123 Ų | 123 | 117 Ų | 117 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 12 | 129.9 | 130.5 | -53.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 526 | S | 37.9 | Very low | 38.4 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | -163.6 | -156.3 | -4.7 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 527 | P | 37.3 | Very low | 40.2 | Very low | 104 Ų | 104 | 113.4 Ų | 113.4 | 68% | 0.675 | 68% | 0.677 | S | S | * | * | -134.4 | 171.7 | -117.4 | 39.6 | -17.1 | 0 | 0 | 0 | 119.5 | |||||
| 528 | D | 31.3 | Very low | 41.9 | Very low | 155 Ų | 155 | 108.3 Ų | 108.3 | 83% | 0.829 | 64% | 0.635 | S | S | * | * | trans | 62.1 | 104.4 | 151.9 | -63.9 | -37.5 | 0 | 0 | 0 | 122.2 | ||||
| 529 | A | 37 | Very low | 43.7 | Very low | 92 Ų | 92 | 108.2 Ų | 108.2 | 76% | 0.76 | 63% | 0.626 | S | S | * | * | -177 | 108.2 | 92 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 530 | K | 41.2 | Very low | 45.4 | Very low | 202 Ų | 202 | 107.4 Ų | 107.4 | 88% | 0.878 | 61% | 0.613 | S | S | * | * | trans | 57.1 | 119.9 | 161.6 | -61.5 | 178.9 | -179.4 | 176.5 | 0 | 118.9 | ||||
| 531 | P | 37.5 | Very low | 47.1 | Very low | 133 Ų | 133 | 103 Ų | 103 | 86% | 0.864 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 143.6 | 176.2 | 33.4 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 532 | L | 40.1 | Very low | 48.7 | Very low | 141 Ų | 141 | 99.8 Ų | 99.8 | 74% | 0.738 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -88 | 157.2 | 164.1 | -75.8 | 168.8 | 0 | 0 | 0 | 110.4 | ||
| 533 | P | 52.8 | Low | 50.3 | Low | 55 Ų | 55 | 99 Ų | 99 | 36% | 0.357 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -74.8 | 144 | -172.9 | 31 | -36.6 | 0 | 0 | 0 | 112.4 | H535 L536 | P533-H535 VanDerWaalsContact CG-CE1 3.46Å; P533-H535 WeakPolarHBondContact CG-CE1 3.24Å; P533-H535 PolarHBondContact O-N 3.07Å; P533-H535 VanDerWaalsContact O-N 3.09Å; P533-L536 HydrophobicContact CG-CD1 4.01Å; P533-L536 PolarHBondContact O-N 3.08Å |
| 534 | P | 59.2 | Low | 52 | Low | 91 Ų | 91 | 94 Ų | 94 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -67 | -15.1 | -169.6 | 25.8 | -35.3 | 0 | 0 | 0 | 114.8 | L536 D537 N540 | P534-L536 PolarHBondContact O-N 3.29Å; P534-D537 PolarHBondContact O-N 3.38Å; P534-N540 PolarHBondContact O-ND2 3.43Å |
| 535 | H | 58.5 | Low | 53.6 | Low | 88 Ų | 88 | 90 Ų | 90 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -71.6 | -5.8 | -179.2 | 76.1 | -77 | 0 | 0 | 0 | 114.4 | P533 A592 | P533-H535 VanDerWaalsContact CG-CE1 3.46Å; P533-H535 WeakPolarHBondContact CG-CE1 3.24Å; P533-H535 PolarHBondContact O-N 3.07Å; P533-H535 VanDerWaalsContact O-N 3.09Å; H535-A592 PolarHBondContact NE2-O 2.96Å |
| 536 | L | 61.7 | Low | 55.8 | Low | 29 Ų | 29 | 86.7 Ų | 86.7 | 15% | 0.152 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -99.6 | -11.3 | 179.3 | -63.6 | 172.5 | 0 | 0 | 0 | 114.1 | P533 P534 N560 L561 A592 | P533-L536 HydrophobicContact CG-CD1 4.01Å; P533-L536 PolarHBondContact O-N 3.08Å; P534-L536 PolarHBondContact O-N 3.29Å; L536-N560 PolarHBondContact O-ND2 2.7Å; L536-L561 HydrophobicContact CD2-CB 4.39Å; L536-L561 HydrophobicContact CD2-CD2 4.04Å; L536-L561 WeakPolarHBondContact O-CB 3.46Å; L536-L561 PolarHBondContact O-N 2.8Å; L536-A592 HydrophobicContact CD2-CB 3.87Å |
| 537 | D | 68.2 | Low | 57.7 | Low | 77 Ų | 77 | 85.5 Ų | 85.5 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -78.1 | 136.6 | 176.2 | -76 | -23.7 | 0 | 0 | 0 | 111.2 | P534 A539 N540 | P534-D537 PolarHBondContact O-N 3.38Å; D537-A539 PolarHBondContact O-N 2.99Å; D537-A539 VanDerWaalsContact O-N 3.07Å; D537-N540 PolarHBondContact O-N 3.09Å |
| 538 | L | 66.2 | Low | 59.7 | Low | 3 Ų | 3 | 86.7 Ų | 86.7 | 2% | 0.016 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -55.7 | -30.6 | -179.5 | -69.8 | 177.7 | 0 | 0 | 0 | 113.4 | N540 L541 L545 L553 I558 T559 | L538-N540 PolarHBondContact O-N 3.32Å; L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 PolarHBondContact O-N 3.22Å; L538-L545 HydrophobicContact CD2-CD1 3.86Å; L538-L553 HydrophobicContact CD1-CB 3.67Å; L538-L553 HydrophobicContact CD1-CD1 3.97Å; L538-L553 HydrophobicContact CD1-CG 4.44Å; L538-L553 HydrophobicContact CD2-CD1 3.93Å; L538-I558 HydrophobicContact CD1-CG2 4.34Å; L538-I558 WeakPolarHBondContact CD1-O 3.16Å; L538-T559 WeakPolarHBondContact CG-O 3.47Å; L538-T559 PolarHBondContact N-O 2.88Å |
| 539 | A | 68.4 | Low | 61.7 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 60% | 0.603 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -57.3 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | D537 S542 | D537-A539 PolarHBondContact O-N 2.99Å; D537-A539 VanDerWaalsContact O-N 3.07Å; A539-S542 PolarHBondContact O-OG 3.13Å |
| 540 | N | 67 | Low | 63.4 | Low | 97 Ų | 97 | 76.8 Ų | 76.8 | 52% | 0.519 | 43% | 0.434 | S | S | . | . | G | 310 helix | trans | -91 | -3.5 | 179.4 | -63.6 | -58.1 | 0 | 0 | 0 | 113 | P534 D537 L538 S542 | P534-N540 PolarHBondContact O-ND2 3.43Å; D537-N540 PolarHBondContact O-N 3.09Å; L538-N540 PolarHBondContact O-N 3.32Å; N540-S542 VanDerWaalsContact C-N 3.33Å |
| 541 | L | 66.4 | Low | 65.3 | Low | 17 Ų | 17 | 69.4 Ų | 69.4 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -94.5 | 18.1 | 173.5 | -71.4 | 162.8 | 0 | 0 | 0 | 112.7 | L538 H543 V544 L545 L561 | L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 PolarHBondContact O-N 3.22Å; L541-H543 PolarHBondContact O-N 3.05Å; L541-H543 VanDerWaalsContact O-N 3.11Å; L541-V544 HydrophobicContact CD2-CB 4.48Å; L541-V544 HydrophobicContact CD2-CG2 4.12Å; L541-V544 WeakPolarHBondContact O-CA 3.47Å; L541-V544 WeakPolarHBondContact O-CB 3.48Å; L541-V544 PolarHBondContact O-N 2.82Å; L541-L545 HydrophobicContact CB-CD1 4.33Å; L541-L545 PolarHBondContact O-N 3.29Å; L541-L561 HydrophobicContact CD1-CB 4.44Å; L541-L561 HydrophobicContact CD1-CD1 3.94Å; L541-L561 HydrophobicContact CD1-CD2 4.24Å; L541-L561 HydrophobicContact CD1-CG 4.44Å |
| 542 | S | 65.2 | Low | 67.2 | Low | 79 Ų | 79 | 65.7 Ų | 65.7 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -11.3 | -179.4 | 49.4 | 0 | 0 | 0 | 0 | 115.6 | A539 N540 | A539-S542 PolarHBondContact O-OG 3.13Å; N540-S542 VanDerWaalsContact C-N 3.33Å |
| 543 | H | 66.8 | Low | 68.9 | Low | 189 Ų | 189 | 59 Ų | 59 | 88% | 0.875 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 2.7 | 169.6 | -165.5 | 21.9 | 0 | 0 | 0 | 113.1 | L541 | L541-H543 PolarHBondContact O-N 3.05Å; L541-H543 VanDerWaalsContact O-N 3.11Å |
| 544 | V | 65.4 | Low | 70.3 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 21% | 0.212 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -40.1 | -172.2 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | L541 I585 K588 | L541-V544 HydrophobicContact CD2-CB 4.48Å; L541-V544 HydrophobicContact CD2-CG2 4.12Å; L541-V544 WeakPolarHBondContact O-CA 3.47Å; L541-V544 WeakPolarHBondContact O-CB 3.48Å; L541-V544 PolarHBondContact O-N 2.82Å; V544-I585 HydrophobicContact CG1-CG1 4.11Å; V544-K588 HydrophobicContact CB-CD 4.4Å; V544-K588 HydrophobicContact CG1-CD 3.66Å; V544-K588 HydrophobicContact CG2-CD 3.83Å |
| 545 | L | 65.8 | Low | 71.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -110.8 | 136.7 | 177.5 | -79.9 | 159.3 | 0 | 0 | 0 | 109.5 | L538 L541 N549 M550 L553 L577 I585 | L538-L545 HydrophobicContact CD2-CD1 3.86Å; L541-L545 HydrophobicContact CB-CD1 4.33Å; L541-L545 PolarHBondContact O-N 3.29Å; L545-N549 HydrophobicContact CD2-CB 3.97Å; L545-M550 HydrophobicContact CB-CG 3.69Å; L545-M550 HydrophobicContact CB-SD 4.46Å; L545-M550 HydrophobicContact CD1-CG 4.33Å; L545-L553 HydrophobicContact CD1-CD1 3.7Å; L545-L553 HydrophobicContact CD2-CD1 4.03Å; L545-L577 HydrophobicContact CD2-CD2 3.41Å; L545-L577 VanDerWaalsContact CD2-CD2 3.41Å; L545-I585 HydrophobicContact CD1-CD1 4.23Å; L545-I585 HydrophobicContact CD1-CG1 4.47Å; L545-I585 HydrophobicContact CD2-CD1 3.57Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 HydrophobicContact CG-CD1 3.94Å; L545-I585 HydrophobicContact CG-CG1 4.28Å |
| 546 | S | 77.9 | Confident | 71.8 | Confident | 53 Ų | 53 | 64.7 Ų | 64.7 | 37% | 0.371 | 36% | 0.362 | S | S | . | . | trans | -63.2 | 153.9 | 170 | 74.9 | 0 | 0 | 0 | 0 | 110.8 | E548 N549 M550 | S546-E548 PolarHBondContact O-N 3.22Å; S546-N549 PolarHBondContact O-N 3.34Å; S546-N549 WeakPolarHBondContact OG-CB 3.13Å; S546-N549 VanDerWaalsContact OG-CG 3.23Å; S546-N549 PolarHBondContact OG-N 3.2Å; S546-M550 PolarHBondContact O-N 3.09Å | ||
| 547 | A | 78.6 | Confident | 72.6 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 65% | 0.653 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.3 | -32.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M550 A551 | A547-M550 HydrophobicContact CB-CE 4.37Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.46Å; A547-A551 VanDerWaalsContact O-N 3.12Å |
| 548 | E | 78.8 | Confident | 72.9 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 60% | 0.598 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -68.6 | -43.4 | 174.9 | -152.9 | -164 | 124.3 | 0 | 0 | 111.9 | S546 A551 K552 | S546-E548 PolarHBondContact O-N 3.22Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.26Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.38Å; E548-K552 WeakPolarHBondContact OE1-CE 3.49Å; E548-K552 IonicContact OE1-NZ 3.39Å; E548-K552 PolarHBondContact OE1-NZ 3.17Å |
| 549 | N | 72.8 | Confident | 73.5 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 6% | 0.064 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -74 | -33.4 | -179.1 | -70.1 | -3.2 | 0 | 0 | 0 | 111.8 | L545 S546 A551 K552 L553 L577 E581 | L545-N549 HydrophobicContact CD2-CB 3.97Å; S546-N549 PolarHBondContact O-N 3.34Å; S546-N549 WeakPolarHBondContact OG-CB 3.13Å; S546-N549 VanDerWaalsContact OG-CG 3.23Å; S546-N549 PolarHBondContact OG-N 3.2Å; N549-A551 VanDerWaalsContact C-N 3.31Å; N549-A551 PolarHBondContact O-N 3.05Å; N549-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact OD1-NZ 2.92Å; N549-L553 WeakPolarHBondContact O-CG 3.41Å; N549-L553 PolarHBondContact O-N 3.21Å; N549-L577 HydrophobicContact CB-CD2 3.82Å; N549-E581 PolarHBondContact ND2-OE1 2.98Å |
| 550 | M | 73.9 | Confident | 74 | Confident | 27 Ų | 27 | 63.1 Ų | 63.1 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 165.7 | -71.6 | -175.6 | -73.2 | 0 | 0 | 112 | L545 S546 A547 N554 | L545-M550 HydrophobicContact CB-CG 3.69Å; L545-M550 HydrophobicContact CB-SD 4.46Å; L545-M550 HydrophobicContact CD1-CG 4.33Å; S546-M550 PolarHBondContact O-N 3.09Å; A547-M550 HydrophobicContact CB-CE 4.37Å; M550-N554 PolarHBondContact O-N 3.33Å; M550-N554 PolarHBondContact O-ND2 2.97Å |
| 551 | A | 80.1 | Confident | 74.3 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 40% | 0.397 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.6 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A547 E548 N549 K555 | A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.46Å; A547-A551 VanDerWaalsContact O-N 3.12Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.26Å; N549-A551 VanDerWaalsContact C-N 3.31Å; N549-A551 PolarHBondContact O-N 3.05Å; A551-K555 WeakPolarHBondContact O-CG 3.32Å; A551-K555 PolarHBondContact O-N 3.25Å; A551-K555 VanDerWaalsContact O-N 3.13Å |
| 552 | K | 78.4 | Confident | 74.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 24% | 0.239 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69 | -42.3 | 173.5 | -66.6 | 169.3 | -157 | 161.5 | 0 | 111.9 | E548 N549 K555 L556 A575 | E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.38Å; E548-K552 WeakPolarHBondContact OE1-CE 3.49Å; E548-K552 IonicContact OE1-NZ 3.39Å; E548-K552 PolarHBondContact OE1-NZ 3.17Å; N549-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact OD1-NZ 2.92Å; K552-K555 WeakPolarHBondContact O-CB 3.49Å; K552-K555 PolarHBondContact O-N 3.03Å; K552-L556 PolarHBondContact O-N 3.01Å; K552-A575 WeakPolarHBondContact CB-O 3.39Å; K552-A575 WeakPolarHBondContact CD-O 3.34Å |
| 553 | L | 75.6 | Confident | 75.2 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 173.4 | -75 | 170 | 0 | 0 | 0 | 112.1 | L538 L545 N549 K555 L556 G557 I558 M564 L572 L577 | L538-L553 HydrophobicContact CD1-CB 3.67Å; L538-L553 HydrophobicContact CD1-CD1 3.97Å; L538-L553 HydrophobicContact CD1-CG 4.44Å; L538-L553 HydrophobicContact CD2-CD1 3.93Å; L545-L553 HydrophobicContact CD1-CD1 3.7Å; L545-L553 HydrophobicContact CD2-CD1 4.03Å; N549-L553 WeakPolarHBondContact O-CG 3.41Å; N549-L553 PolarHBondContact O-N 3.21Å; L553-K555 VanDerWaalsContact C-N 3.28Å; L553-K555 PolarHBondContact O-N 3.28Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 PolarHBondContact O-N 3.09Å; L553-G557 PolarHBondContact O-N 3.03Å; L553-I558 CarbonylContact C-O 3.59Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.25Å; L553-I558 HydrophobicContact CD2-CD1 3.52Å; L553-I558 HydrophobicContact CD2-CG2 4.21Å; L553-I558 WeakPolarHBondContact O-CB 3.36Å; L553-I558 PolarHBondContact O-N 3.02Å; L553-I558 VanDerWaalsContact O-N 3.09Å; L553-M564 HydrophobicContact CD2-CG 4.25Å; L553-L572 HydrophobicContact CD2-CD2 4.22Å; L553-L577 HydrophobicContact CD1-CD1 4.45Å; L553-L577 HydrophobicContact CD2-CD1 3.94Å; L553-L577 HydrophobicContact CG-CD1 4.34Å |
| 554 | N | 80.7 | Confident | 75.3 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 175.6 | -83.5 | -88.5 | 0 | 0 | 0 | 112.6 | M550 L556 G557 | M550-N554 PolarHBondContact O-N 3.33Å; M550-N554 PolarHBondContact O-ND2 2.97Å; N554-L556 PolarHBondContact O-N 3.45Å; N554-G557 PolarHBondContact O-N 2.93Å; N554-G557 VanDerWaalsContact O-N 3.08Å |
| 555 | K | 79.9 | Confident | 75.7 | Confident | 181 Ų | 181 | 54.8 Ų | 54.8 | 79% | 0.787 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -66.2 | -23.6 | 173.2 | -76.9 | 172.9 | 179 | -179.8 | 0 | 113.7 | A551 K552 L553 G557 | A551-K555 WeakPolarHBondContact O-CG 3.32Å; A551-K555 PolarHBondContact O-N 3.25Å; A551-K555 VanDerWaalsContact O-N 3.13Å; K552-K555 WeakPolarHBondContact O-CB 3.49Å; K552-K555 PolarHBondContact O-N 3.03Å; L553-K555 VanDerWaalsContact C-N 3.28Å; L553-K555 PolarHBondContact O-N 3.28Å; K555-G557 VanDerWaalsContact C-N 3.32Å |
| 556 | L | 70.1 | Confident | 76.1 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 45% | 0.45 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.3 | 172.3 | -67.7 | -179.6 | 0 | 0 | 0 | 113.2 | K552 L553 N554 I558 A575 | K552-L556 PolarHBondContact O-N 3.01Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 PolarHBondContact O-N 3.09Å; N554-L556 PolarHBondContact O-N 3.45Å; L556-I558 HydrophobicContact CB-CD1 3.96Å; L556-I558 HydrophobicContact CB-CG1 4.14Å; L556-I558 HydrophobicContact CD1-CD1 4.28Å; L556-I558 PolarHBondContact O-N 2.91Å; L556-A575 HydrophobicContact CD1-CB 3.7Å |
| 557 | G | 78.3 | Confident | 75.9 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 54% | 0.536 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 9.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L553 N554 K555 T559 | L553-G557 PolarHBondContact O-N 3.03Å; N554-G557 PolarHBondContact O-N 2.93Å; N554-G557 VanDerWaalsContact O-N 3.08Å; K555-G557 VanDerWaalsContact C-N 3.32Å; G557-T559 PolarHBondContact O-N 3.06Å |
| 558 | I | 74.3 | Confident | 76 | Confident | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | trans | -85.2 | 107.8 | 174.9 | -53 | 163.7 | 0 | 0 | 0 | 107 | L538 L553 L556 Q563 M564 V567 L572 | L538-I558 HydrophobicContact CD1-CG2 4.34Å; L538-I558 WeakPolarHBondContact CD1-O 3.16Å; L553-I558 CarbonylContact C-O 3.59Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.25Å; L553-I558 HydrophobicContact CD2-CD1 3.52Å; L553-I558 HydrophobicContact CD2-CG2 4.21Å; L553-I558 WeakPolarHBondContact O-CB 3.36Å; L553-I558 PolarHBondContact O-N 3.02Å; L553-I558 VanDerWaalsContact O-N 3.09Å; L556-I558 HydrophobicContact CB-CD1 3.96Å; L556-I558 HydrophobicContact CB-CG1 4.14Å; L556-I558 HydrophobicContact CD1-CD1 4.28Å; L556-I558 PolarHBondContact O-N 2.91Å; I558-Q563 HydrophobicContact CG2-CB 4.05Å; I558-M564 HydrophobicContact CG2-CB 3.95Å; I558-V567 HydrophobicContact CD1-CB 4.27Å; I558-V567 HydrophobicContact CD1-CG1 4.31Å; I558-V567 HydrophobicContact CD1-CG2 3.86Å; I558-V567 HydrophobicContact CG1-CG2 4.05Å; I558-L572 HydrophobicContact CD1-CD2 4.08Å | ||
| 559 | T | 78.6 | Confident | 76.1 | Confident | 71 Ų | 71 | 59 Ų | 59 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | trans | -106.4 | -21.8 | 173.4 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | L538 G557 Q563 | L538-T559 WeakPolarHBondContact CG-O 3.47Å; L538-T559 PolarHBondContact N-O 2.88Å; G557-T559 PolarHBondContact O-N 3.06Å; T559-Q563 PolarHBondContact OG1-OE1 3.18Å | ||
| 560 | N | 79.1 | Confident | 76.5 | Confident | 22 Ų | 22 | 60.2 Ų | 60.2 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -124.1 | 148.2 | -174.6 | -168 | -82.6 | 0 | 0 | 0 | 112.7 | L536 E562 Q563 M564 | L536-N560 PolarHBondContact O-ND2 2.7Å; N560-E562 PolarHBondContact O-N 3.05Å; N560-E562 PolarHBondContact OD1-N 2.75Å; N560-Q563 HydrophobicContact CB-CG 4.41Å; N560-Q563 WeakPolarHBondContact O-CB 3.24Å; N560-Q563 PolarHBondContact O-N 3.06Å; N560-Q563 VanDerWaalsContact O-N 3.09Å; N560-M564 PolarHBondContact O-N 3.48Å |
| 561 | L | 73.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -55.6 | -32.4 | 178.2 | -170 | 55.4 | 0 | 0 | 0 | 113.8 | L536 L541 M564 I585 A589 A592 | L536-L561 HydrophobicContact CD2-CB 4.39Å; L536-L561 HydrophobicContact CD2-CD2 4.04Å; L536-L561 WeakPolarHBondContact O-CB 3.46Å; L536-L561 PolarHBondContact O-N 2.8Å; L541-L561 HydrophobicContact CD1-CB 4.44Å; L541-L561 HydrophobicContact CD1-CD1 3.94Å; L541-L561 HydrophobicContact CD1-CD2 4.24Å; L541-L561 HydrophobicContact CD1-CG 4.44Å; L561-M564 PolarHBondContact O-N 2.92Å; L561-I585 HydrophobicContact CD1-CG2 3.32Å; L561-A589 HydrophobicContact CD1-CB 3.84Å; L561-A589 HydrophobicContact CD2-CB 3.84Å; L561-A589 HydrophobicContact CG-CB 3.57Å; L561-A592 HydrophobicContact CD2-CB 4.28Å |
| 562 | E | 75.8 | Confident | 76.6 | Confident | 89 Ų | 89 | 61.3 Ų | 61.3 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.4 | -29.8 | 177.6 | -176.7 | 152.1 | -117.7 | 0 | 0 | 113.6 | N560 M564 L565 K593 | N560-E562 PolarHBondContact O-N 3.05Å; N560-E562 PolarHBondContact OD1-N 2.75Å; E562-M564 VanDerWaalsContact C-N 3.35Å; E562-L565 PolarHBondContact O-N 3.28Å; E562-K593 IonicContact OE1-NZ 2.81Å; E562-K593 PolarHBondContact OE1-NZ 3.12Å |
| 563 | Q | 73.7 | Confident | 76.8 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.8 | -34.9 | 174.4 | -67.6 | 165.8 | -26.9 | 0 | 0 | 111 | I558 T559 N560 L565 Q566 V567 | I558-Q563 HydrophobicContact CG2-CB 4.05Å; T559-Q563 PolarHBondContact OG1-OE1 3.18Å; N560-Q563 HydrophobicContact CB-CG 4.41Å; N560-Q563 WeakPolarHBondContact O-CB 3.24Å; N560-Q563 PolarHBondContact O-N 3.06Å; N560-Q563 VanDerWaalsContact O-N 3.09Å; Q563-L565 VanDerWaalsContact C-N 3.25Å; Q563-L565 PolarHBondContact O-N 3.05Å; Q563-Q566 PolarHBondContact O-N 2.64Å; Q563-V567 PolarHBondContact O-N 3.27Å |
| 564 | M | 70.8 | Confident | 77 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.2 | -33.4 | 176.2 | -162.5 | -153.5 | 69.5 | 0 | 0 | 112.1 | L553 I558 N560 L561 E562 Q566 V567 L572 I585 Q586 | L553-M564 HydrophobicContact CD2-CG 4.25Å; I558-M564 HydrophobicContact CG2-CB 3.95Å; N560-M564 PolarHBondContact O-N 3.48Å; L561-M564 PolarHBondContact O-N 2.92Å; E562-M564 VanDerWaalsContact C-N 3.35Å; M564-Q566 PolarHBondContact O-N 2.98Å; M564-V567 PolarHBondContact O-N 3.31Å; M564-L572 HydrophobicContact CG-CD1 4.07Å; M564-L572 HydrophobicContact CG-CD2 3.64Å; M564-I585 HydrophobicContact CE-CB 3.93Å; M564-I585 HydrophobicContact CE-CG2 3.54Å; M564-I585 HydrophobicContact SD-CB 4.04Å; M564-I585 HydrophobicContact SD-CD1 4.17Å; M564-I585 HydrophobicContact SD-CG2 3.47Å; M564-I585 WeakPolarHBondContact SD-CG2 3.34Å; M564-Q586 HydrophobicContact CE-CG 4.32Å |
| 565 | L | 73.4 | Confident | 76.5 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 40% | 0.403 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -12.5 | 174.9 | -70.4 | 173.3 | 0 | 0 | 0 | 113.9 | E562 Q563 Q586 A589 | E562-L565 PolarHBondContact O-N 3.28Å; Q563-L565 VanDerWaalsContact C-N 3.25Å; Q563-L565 PolarHBondContact O-N 3.05Å; L565-Q586 HydrophobicContact CD2-CG 4.11Å; L565-A589 HydrophobicContact CD1-CB 3.92Å; L565-A589 HydrophobicContact CD2-CB 4.45Å; L565-A589 HydrophobicContact CG-CB 4.32Å |
| 566 | Q | 74.7 | Confident | 76.4 | Confident | 146 Ų | 146 | 59.3 Ų | 59.3 | 68% | 0.682 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -10.1 | -179.7 | -65 | 164.7 | 16.3 | 0 | 0 | 112.4 | Q563 M564 | Q563-Q566 PolarHBondContact O-N 2.64Å; M564-Q566 PolarHBondContact O-N 2.98Å |
| 567 | V | 72.8 | Confident | 76.6 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -90.8 | 129.6 | 178.1 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | I558 Q563 M564 Q571 L572 | I558-V567 HydrophobicContact CD1-CB 4.27Å; I558-V567 HydrophobicContact CD1-CG1 4.31Å; I558-V567 HydrophobicContact CD1-CG2 3.86Å; I558-V567 HydrophobicContact CG1-CG2 4.05Å; Q563-V567 PolarHBondContact O-N 3.27Å; M564-V567 PolarHBondContact O-N 3.31Å; V567-Q571 HydrophobicContact CG1-CB 3.68Å; V567-L572 HydrophobicContact CB-CD2 4.14Å; V567-L572 HydrophobicContact CB-CG 4.45Å; V567-L572 HydrophobicContact CG1-CD2 3.78Å; V567-L572 HydrophobicContact CG1-CG 3.98Å |
| 568 | P | 81.1 | Confident | 76.8 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 48% | 0.481 | 31% | 0.312 | S | S | . | . | trans | -66 | 145.2 | -176 | 26.8 | -35.1 | 0 | 0 | 0 | 112 | G570 Q571 L572 | P568-G570 PolarHBondContact O-N 3.45Å; P568-Q571 HydrophobicContact CG-CB 4.39Å; P568-Q571 HydrophobicContact CG-CG 4.07Å; P568-Q571 PolarHBondContact O-N 2.91Å; P568-L572 PolarHBondContact O-N 3.38Å | ||
| 569 | F | 79.8 | Confident | 77.1 | Confident | 102 Ų | 102 | 62.4 Ų | 62.4 | 45% | 0.447 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -49.4 | -34.6 | -174.8 | -179.5 | -94.9 | 0 | 0 | 0 | 114.9 | L572 T573 L579 I582 | F569-L572 PolarHBondContact O-N 3.21Å; F569-T573 WeakPolarHBondContact CE1-OG1 3.45Å; F569-T573 PolarHBondContact O-N 3.27Å; F569-T573 PolarHBondContact O-OG1 3.43Å; F569-L579 HydrophobicContact CE2-CD1 3.66Å; F569-L579 HydrophobicContact CZ-CB 4.45Å; F569-L579 HydrophobicContact CZ-CD1 3.74Å; F569-I582 HydrophobicContact CD2-CD1 3.97Å; F569-I582 HydrophobicContact CD2-CG2 4.1Å; F569-I582 HydrophobicContact CE2-CB 4.4Å; F569-I582 HydrophobicContact CE2-CD1 3.53Å; F569-I582 HydrophobicContact CE2-CG2 4.07Å; F569-I582 HydrophobicContact CZ-CD1 4.2Å |
| 570 | G | 81.6 | Confident | 77.2 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 38% | 0.381 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59 | -48.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P568 L572 T573 E574 | P568-G570 PolarHBondContact O-N 3.45Å; G570-L572 VanDerWaalsContact C-N 3.32Å; G570-L572 PolarHBondContact O-N 3.31Å; G570-T573 WeakPolarHBondContact O-CB 3.43Å; G570-T573 PolarHBondContact O-N 3.44Å; G570-T573 VanDerWaalsContact O-N 3.11Å; G570-E574 WeakPolarHBondContact O-CB 3.35Å; G570-E574 WeakPolarHBondContact O-CG 3.47Å; G570-E574 PolarHBondContact O-N 3.34Å |
| 571 | Q | 78 | Confident | 77.2 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 44% | 0.435 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 179.4 | -69.8 | 176.2 | 4.8 | 0 | 0 | 112.4 | V567 P568 A575 | V567-Q571 HydrophobicContact CG1-CB 3.68Å; P568-Q571 HydrophobicContact CG-CB 4.39Å; P568-Q571 HydrophobicContact CG-CG 4.07Å; P568-Q571 PolarHBondContact O-N 2.91Å; Q571-A575 WeakPolarHBondContact O-CB 3.38Å; Q571-A575 PolarHBondContact O-N 3.02Å |
| 572 | L | 78.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.7 | -35.3 | 172.4 | -61.8 | 178.1 | 0 | 0 | 0 | 112.1 | L553 I558 M564 V567 P568 F569 G570 A575 L577 I582 | L553-L572 HydrophobicContact CD2-CD2 4.22Å; I558-L572 HydrophobicContact CD1-CD2 4.08Å; M564-L572 HydrophobicContact CG-CD1 4.07Å; M564-L572 HydrophobicContact CG-CD2 3.64Å; V567-L572 HydrophobicContact CB-CD2 4.14Å; V567-L572 HydrophobicContact CB-CG 4.45Å; V567-L572 HydrophobicContact CG1-CD2 3.78Å; V567-L572 HydrophobicContact CG1-CG 3.98Å; P568-L572 PolarHBondContact O-N 3.38Å; F569-L572 PolarHBondContact O-N 3.21Å; G570-L572 VanDerWaalsContact C-N 3.32Å; G570-L572 PolarHBondContact O-N 3.31Å; L572-A575 WeakPolarHBondContact O-CB 3.46Å; L572-A575 PolarHBondContact O-N 3.48Å; L572-L577 HydrophobicContact CB-CD1 4.29Å; L572-L577 HydrophobicContact CD2-CD1 4.26Å; L572-L577 WeakPolarHBondContact O-CB 3.02Å; L572-L577 PolarHBondContact O-N 2.9Å; L572-I582 HydrophobicContact CB-CD1 3.82Å; L572-I582 HydrophobicContact CB-CG1 4.31Å; L572-I582 HydrophobicContact CD1-CG2 4.42Å |
| 573 | T | 81.8 | Confident | 77.7 | Confident | 68 Ų | 68 | 61.1 Ų | 61.1 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -71.6 | -41.4 | 175.2 | -51.4 | 0 | 0 | 0 | 0 | 111.1 | F569 G570 A575 G576 | F569-T573 WeakPolarHBondContact CE1-OG1 3.45Å; F569-T573 PolarHBondContact O-N 3.27Å; F569-T573 PolarHBondContact O-OG1 3.43Å; G570-T573 WeakPolarHBondContact O-CB 3.43Å; G570-T573 PolarHBondContact O-N 3.44Å; G570-T573 VanDerWaalsContact O-N 3.11Å; T573-A575 PolarHBondContact O-N 3.41Å; T573-G576 WeakPolarHBondContact O-CA 3.36Å; T573-G576 PolarHBondContact O-N 3.43Å |
| 574 | E | 80 | Confident | 78 | Confident | 165 Ų | 165 | 61.2 Ų | 61.2 | 77% | 0.771 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.4 | -30.4 | 171.3 | -71.4 | 164.5 | -167.8 | 0 | 0 | 112.1 | G570 G576 | G570-E574 WeakPolarHBondContact O-CB 3.35Å; G570-E574 WeakPolarHBondContact O-CG 3.47Å; G570-E574 PolarHBondContact O-N 3.34Å; E574-G576 PolarHBondContact O-N 2.91Å |
| 575 | A | 71 | Confident | 78.1 | Confident | 11 Ų | 11 | 61.1 Ų | 61.1 | 9% | 0.091 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | 4.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114 | K552 L556 Q571 L572 T573 L577 | K552-A575 WeakPolarHBondContact CB-O 3.39Å; K552-A575 WeakPolarHBondContact CD-O 3.34Å; L556-A575 HydrophobicContact CD1-CB 3.7Å; Q571-A575 WeakPolarHBondContact O-CB 3.38Å; Q571-A575 PolarHBondContact O-N 3.02Å; L572-A575 WeakPolarHBondContact O-CB 3.46Å; L572-A575 PolarHBondContact O-N 3.48Å; T573-A575 PolarHBondContact O-N 3.41Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.83Å |
| 576 | G | 77.2 | Confident | 78.2 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 22.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T573 E574 | T573-G576 WeakPolarHBondContact O-CA 3.36Å; T573-G576 PolarHBondContact O-N 3.43Å; E574-G576 PolarHBondContact O-N 2.91Å |
| 577 | L | 73.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | trans | -85.2 | 129.7 | 167.5 | -62.3 | 169.5 | 0 | 0 | 0 | 109.5 | L545 N549 L553 L572 A575 I582 I585 | L545-L577 HydrophobicContact CD2-CD2 3.41Å; L545-L577 VanDerWaalsContact CD2-CD2 3.41Å; N549-L577 HydrophobicContact CB-CD2 3.82Å; L553-L577 HydrophobicContact CD1-CD1 4.45Å; L553-L577 HydrophobicContact CD2-CD1 3.94Å; L553-L577 HydrophobicContact CG-CD1 4.34Å; L572-L577 HydrophobicContact CB-CD1 4.29Å; L572-L577 HydrophobicContact CD2-CD1 4.26Å; L572-L577 WeakPolarHBondContact O-CB 3.02Å; L572-L577 PolarHBondContact O-N 2.9Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.83Å; L577-I582 HydrophobicContact CB-CD1 4.03Å; L577-I582 HydrophobicContact CB-CG1 3.71Å; L577-I582 HydrophobicContact CD1-CG1 4.36Å; L577-I585 HydrophobicContact CD2-CD1 4.34Å | ||
| 578 | T | 82.2 | Confident | 78.2 | Confident | 75 Ų | 75 | 63 Ų | 63 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | trans | -70.5 | 155.8 | 172.7 | 61.8 | 0 | 0 | 0 | 0 | 111.3 | V580 E581 I582 | T578-V580 PolarHBondContact O-N 3.49Å; T578-V580 VanDerWaalsContact O-N 3.13Å; T578-E581 WeakPolarHBondContact CB-OE2 3.34Å; T578-E581 WeakPolarHBondContact CG2-OE2 3.45Å; T578-E581 PolarHBondContact N-OE2 2.92Å; T578-E581 PolarHBondContact O-N 3.35Å; T578-E581 VanDerWaalsContact O-N 3.12Å; T578-E581 WeakPolarHBondContact OG1-CG 3.25Å; T578-E581 PolarHBondContact OG1-N 3.31Å; T578-E581 PolarHBondContact OG1-OE2 3.13Å; T578-I582 WeakPolarHBondContact O-CG1 3.35Å; T578-I582 PolarHBondContact O-N 3.2Å | ||
| 579 | L | 80.6 | Confident | 77.6 | Confident | 125 Ų | 125 | 59.8 Ų | 59.8 | 65% | 0.654 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -55.4 | -29.7 | 172.7 | 174.9 | 60.8 | 0 | 0 | 0 | 112.5 | F569 G583 | F569-L579 HydrophobicContact CE2-CD1 3.66Å; F569-L579 HydrophobicContact CZ-CB 4.45Å; F569-L579 HydrophobicContact CZ-CD1 3.74Å; L579-G583 PolarHBondContact O-N 2.98Å |
| 580 | V | 82.2 | Confident | 77.1 | Confident | 100 Ų | 100 | 61.7 Ų | 61.7 | 61% | 0.606 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.6 | -49.6 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 110.8 | T578 G583 E584 | T578-V580 PolarHBondContact O-N 3.49Å; T578-V580 VanDerWaalsContact O-N 3.13Å; V580-G583 PolarHBondContact O-N 3.37Å; V580-E584 PolarHBondContact O-N 2.69Å |
| 581 | E | 77.6 | Confident | 76.7 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 174 | -73.5 | 164.1 | 105.1 | 0 | 0 | 111.1 | N549 T578 G583 E584 I585 | N549-E581 PolarHBondContact ND2-OE1 2.98Å; T578-E581 WeakPolarHBondContact CB-OE2 3.34Å; T578-E581 WeakPolarHBondContact CG2-OE2 3.45Å; T578-E581 PolarHBondContact N-OE2 2.92Å; T578-E581 PolarHBondContact O-N 3.35Å; T578-E581 VanDerWaalsContact O-N 3.12Å; T578-E581 WeakPolarHBondContact OG1-CG 3.25Å; T578-E581 PolarHBondContact OG1-N 3.31Å; T578-E581 PolarHBondContact OG1-OE2 3.13Å; E581-G583 VanDerWaalsContact C-N 3.29Å; E581-G583 PolarHBondContact O-N 2.99Å; E581-E584 PolarHBondContact O-N 2.69Å; E581-I585 HydrophobicContact CB-CD1 4.23Å; E581-I585 VanDerWaalsContact O-CD1 3.25Å; E581-I585 WeakPolarHBondContact O-CD1 3.47Å; E581-I585 WeakPolarHBondContact O-CG1 3.35Å; E581-I585 PolarHBondContact O-N 2.95Å |
| 582 | I | 79.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.2 | -45.3 | 178.3 | -64.5 | 168 | 0 | 0 | 0 | 110.4 | F569 L572 L577 T578 E584 I585 Q586 | F569-I582 HydrophobicContact CD2-CD1 3.97Å; F569-I582 HydrophobicContact CD2-CG2 4.1Å; F569-I582 HydrophobicContact CE2-CB 4.4Å; F569-I582 HydrophobicContact CE2-CD1 3.53Å; F569-I582 HydrophobicContact CE2-CG2 4.07Å; F569-I582 HydrophobicContact CZ-CD1 4.2Å; L572-I582 HydrophobicContact CB-CD1 3.82Å; L572-I582 HydrophobicContact CB-CG1 4.31Å; L572-I582 HydrophobicContact CD1-CG2 4.42Å; L577-I582 HydrophobicContact CB-CD1 4.03Å; L577-I582 HydrophobicContact CB-CG1 3.71Å; L577-I582 HydrophobicContact CD1-CG1 4.36Å; T578-I582 WeakPolarHBondContact O-CG1 3.35Å; T578-I582 PolarHBondContact O-N 3.2Å; I582-E584 PolarHBondContact O-N 3.06Å; I582-I585 PolarHBondContact O-N 3.09Å; I582-Q586 HydrophobicContact CG2-CG 4.46Å; I582-Q586 WeakPolarHBondContact O-CB 3.25Å; I582-Q586 VanDerWaalsContact O-CG 3.25Å; I582-Q586 WeakPolarHBondContact O-CG 3.14Å; I582-Q586 PolarHBondContact O-N 2.81Å |
| 583 | G | 81.9 | Confident | 74.8 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.2 | -24.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L579 V580 E581 R587 | L579-G583 PolarHBondContact O-N 2.98Å; V580-G583 PolarHBondContact O-N 3.37Å; E581-G583 VanDerWaalsContact C-N 3.29Å; E581-G583 PolarHBondContact O-N 2.99Å; G583-R587 PolarHBondContact O-N 2.97Å; G583-R587 PolarHBondContact O-NE 3.39Å; G583-R587 PolarHBondContact O-NH2 3.38Å |
| 584 | E | 79.3 | Confident | 73.2 | Confident | 74 Ų | 74 | 70 Ų | 70 | 35% | 0.346 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76.6 | -44.3 | 169.2 | -81.4 | -160.6 | -148.2 | 0 | 0 | 112.7 | V580 E581 I582 Q586 R587 K588 | V580-E584 PolarHBondContact O-N 2.69Å; E581-E584 PolarHBondContact O-N 2.69Å; I582-E584 PolarHBondContact O-N 3.06Å; E584-Q586 VanDerWaalsContact C-N 3.32Å; E584-R587 PolarHBondContact O-N 2.83Å; E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 WeakPolarHBondContact O-CD 3.35Å; E584-K588 WeakPolarHBondContact O-CG 3.4Å; E584-K588 PolarHBondContact O-N 3.26Å; E584-K588 IonicContact OE2-NZ 3.83Å; E584-K588 PolarHBondContact OE2-NZ 3.39Å |
| 585 | I | 72.6 | Confident | 71.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.2 | -36.7 | -178.8 | -55.5 | 151.5 | 0 | 0 | 0 | 109.7 | V544 L545 L561 M564 L577 E581 I582 K588 A589 | V544-I585 HydrophobicContact CG1-CG1 4.11Å; L545-I585 HydrophobicContact CD1-CD1 4.23Å; L545-I585 HydrophobicContact CD1-CG1 4.47Å; L545-I585 HydrophobicContact CD2-CD1 3.57Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 HydrophobicContact CG-CD1 3.94Å; L545-I585 HydrophobicContact CG-CG1 4.28Å; L561-I585 HydrophobicContact CD1-CG2 3.32Å; M564-I585 HydrophobicContact CE-CB 3.93Å; M564-I585 HydrophobicContact CE-CG2 3.54Å; M564-I585 HydrophobicContact SD-CB 4.04Å; M564-I585 HydrophobicContact SD-CD1 4.17Å; M564-I585 HydrophobicContact SD-CG2 3.47Å; M564-I585 WeakPolarHBondContact SD-CG2 3.34Å; L577-I585 HydrophobicContact CD2-CD1 4.34Å; E581-I585 HydrophobicContact CB-CD1 4.23Å; E581-I585 VanDerWaalsContact O-CD1 3.25Å; E581-I585 WeakPolarHBondContact O-CD1 3.47Å; E581-I585 WeakPolarHBondContact O-CG1 3.35Å; E581-I585 PolarHBondContact O-N 2.95Å; I582-I585 PolarHBondContact O-N 3.09Å; I585-K588 PolarHBondContact O-N 2.93Å; I585-A589 VanDerWaalsContact O-CB 3.3Å; I585-A589 WeakPolarHBondContact O-CB 3.33Å; I585-A589 PolarHBondContact O-N 3.37Å |
| 586 | Q | 74.5 | Confident | 69.6 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 38% | 0.379 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.5 | -50.2 | 170.7 | -78.1 | 175 | -11.7 | 0 | 0 | 112.2 | M564 L565 I582 E584 K588 A589 E590 | M564-Q586 HydrophobicContact CE-CG 4.32Å; L565-Q586 HydrophobicContact CD2-CG 4.11Å; I582-Q586 HydrophobicContact CG2-CG 4.46Å; I582-Q586 WeakPolarHBondContact O-CB 3.25Å; I582-Q586 VanDerWaalsContact O-CG 3.25Å; I582-Q586 WeakPolarHBondContact O-CG 3.14Å; I582-Q586 PolarHBondContact O-N 2.81Å; E584-Q586 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 3.17Å; Q586-A589 WeakPolarHBondContact O-CB 3.5Å; Q586-A589 PolarHBondContact O-N 3.1Å; Q586-A589 VanDerWaalsContact O-N 3.08Å; Q586-E590 WeakPolarHBondContact O-CG 3.45Å; Q586-E590 PolarHBondContact O-N 3.25Å |
| 587 | R | 77.9 | Confident | 67.6 | Low | 141 Ų | 141 | 83.2 Ų | 83.2 | 53% | 0.532 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.9 | -81.2 | 174.5 | -72.9 | 179.9 | 2.2 | 111.8 | G583 E584 A589 E590 D591 | G583-R587 PolarHBondContact O-N 2.97Å; G583-R587 PolarHBondContact O-NE 3.39Å; G583-R587 PolarHBondContact O-NH2 3.38Å; E584-R587 PolarHBondContact O-N 2.83Å; R587-A589 PolarHBondContact O-N 3.11Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E590 VanDerWaalsContact O-N 3.1Å; R587-D591 WeakPolarHBondContact O-CB 3.34Å; R587-D591 PolarHBondContact O-N 3.18Å |
| 588 | K | 70.6 | Confident | 65.9 | Low | 71 Ų | 71 | 87.3 Ų | 87.3 | 31% | 0.309 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -24.2 | 177.1 | -70.3 | 159.5 | 177.4 | 167.6 | 0 | 112.6 | V544 E584 I585 Q586 A592 | V544-K588 HydrophobicContact CB-CD 4.4Å; V544-K588 HydrophobicContact CG1-CD 3.66Å; V544-K588 HydrophobicContact CG2-CD 3.83Å; E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 WeakPolarHBondContact O-CD 3.35Å; E584-K588 WeakPolarHBondContact O-CG 3.4Å; E584-K588 PolarHBondContact O-N 3.26Å; E584-K588 IonicContact OE2-NZ 3.83Å; E584-K588 PolarHBondContact OE2-NZ 3.39Å; I585-K588 PolarHBondContact O-N 2.93Å; Q586-K588 PolarHBondContact O-N 3.17Å; K588-A592 WeakPolarHBondContact O-CB 3.39Å; K588-A592 PolarHBondContact O-N 2.97Å |
| 589 | A | 67.9 | Low | 63.7 | Low | 7 Ų | 7 | 91.8 Ų | 91.8 | 6% | 0.058 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -77.8 | -33.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L561 L565 I585 Q586 R587 | L561-A589 HydrophobicContact CD1-CB 3.84Å; L561-A589 HydrophobicContact CD2-CB 3.84Å; L561-A589 HydrophobicContact CG-CB 3.57Å; L565-A589 HydrophobicContact CD1-CB 3.92Å; L565-A589 HydrophobicContact CD2-CB 4.45Å; L565-A589 HydrophobicContact CG-CB 4.32Å; I585-A589 VanDerWaalsContact O-CB 3.3Å; I585-A589 WeakPolarHBondContact O-CB 3.33Å; I585-A589 PolarHBondContact O-N 3.37Å; Q586-A589 WeakPolarHBondContact O-CB 3.5Å; Q586-A589 PolarHBondContact O-N 3.1Å; Q586-A589 VanDerWaalsContact O-N 3.08Å; R587-A589 PolarHBondContact O-N 3.11Å |
| 590 | E | 70.6 | Confident | 61.6 | Low | 142 Ų | 142 | 91.7 Ų | 91.7 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -72.7 | -45.2 | 174.2 | -68.6 | -178.9 | 144.9 | 0 | 0 | 111 | Q586 R587 A592 K593 | Q586-E590 WeakPolarHBondContact O-CG 3.45Å; Q586-E590 PolarHBondContact O-N 3.25Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E590 VanDerWaalsContact O-N 3.1Å; E590-A592 VanDerWaalsContact C-N 3.27Å; E590-A592 PolarHBondContact O-N 3.28Å; E590-K593 PolarHBondContact O-N 3.47Å |
| 591 | D | 71.8 | Confident | 59.3 | Low | 138 Ų | 138 | 95.3 Ų | 95.3 | 74% | 0.738 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.9 | -30.9 | 174.9 | -69.2 | -32.6 | 0 | 0 | 0 | 112.6 | R587 K593 | R587-D591 WeakPolarHBondContact O-CB 3.34Å; R587-D591 PolarHBondContact O-N 3.18Å; D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 3.17Å |
| 592 | A | 58.2 | Low | 57.1 | Low | 18 Ų | 18 | 97.8 Ų | 97.8 | 15% | 0.149 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -4.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | H535 L536 L561 K588 E590 P594 | H535-A592 PolarHBondContact NE2-O 2.96Å; L536-A592 HydrophobicContact CD2-CB 3.87Å; L561-A592 HydrophobicContact CD2-CB 4.28Å; K588-A592 WeakPolarHBondContact O-CB 3.39Å; K588-A592 PolarHBondContact O-N 2.97Å; E590-A592 VanDerWaalsContact C-N 3.27Å; E590-A592 PolarHBondContact O-N 3.28Å; A592-P594 WeakPolarHBondContact O-CD 3.4Å |
| 593 | K | 58.9 | Low | 54.9 | Low | 117 Ų | 117 | 103.1 Ų | 103.1 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -91.2 | 110.4 | -168.8 | -139.5 | 158.6 | -168.1 | 158.4 | 0 | 111.5 | E562 E590 D591 Q595 | E562-K593 IonicContact OE1-NZ 2.81Å; E562-K593 PolarHBondContact OE1-NZ 3.12Å; E590-K593 PolarHBondContact O-N 3.47Å; D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 3.17Å; K593-Q595 PolarHBondContact O-N 3.5Å |
| 594 | P | 49.5 | Very low | 52.7 | Low | 104 Ų | 104 | 108 Ų | 108 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | trans | -71.5 | 124.1 | -169.2 | 27.8 | -34.8 | 0 | 0 | 0 | 112.4 | A592 T596 | A592-P594 WeakPolarHBondContact O-CD 3.4Å; P594-T596 PolarHBondContact O-N 3.03Å | ||
| 595 | Q | 39.8 | Very low | 50.8 | Low | 173 Ų | 173 | 109.7 Ų | 109.7 | 81% | 0.808 | 59% | 0.591 | S | S | * | * | trans | -73 | 110.9 | 171.2 | -67.5 | -175.4 | 2.1 | 0 | 0 | 110.2 | K593 Q597 | K593-Q595 PolarHBondContact O-N 3.5Å; Q595-Q597 PolarHBondContact O-N 2.74Å; Q595-Q597 VanDerWaalsContact O-N 3.15Å | ||
| 596 | T | 35.6 | Very low | 49.2 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 87% | 0.865 | 63% | 0.626 | S | S | * | * | trans | -74.9 | 102.5 | 177.1 | -42.2 | 0 | 0 | 0 | 0 | 110.5 | P594 | P594-T596 PolarHBondContact O-N 3.03Š| ||
| 597 | Q | 34.2 | Very low | 47.1 | Very low | 177 Ų | 177 | 116.1 Ų | 116.1 | 83% | 0.827 | 64% | 0.642 | S | S | * | * | trans | -109.5 | 143 | 163.3 | -71.7 | -172.2 | -6.8 | 0 | 0 | 110.1 | Q595 | Q595-Q597 PolarHBondContact O-N 2.74Å; Q595-Q597 VanDerWaalsContact O-N 3.15Å | ||
| 598 | A | 37.3 | Very low | 44.9 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 75% | 0.752 | 66% | 0.655 | S | S | * | * | trans | -138.6 | 141.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 599 | E | 36.7 | Very low | 42.9 | Very low | 169 Ų | 169 | 124.6 Ų | 124.6 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | cis | -158.5 | 179.4 | 4 | -150.1 | 175.2 | -160.9 | 0 | 0 | 110.5 | ||||
| 600 | L | 36.5 | Very low | 41.1 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 64% | 0.644 | 71% | 0.708 | S | S | * | * | trans | 71.8 | 101.7 | 162.6 | -57.7 | 161.8 | 0 | 0 | 0 | 116.1 | ||||
| 601 | E | 34.7 | Very low | 39.4 | Very low | 176 Ų | 176 | 130.3 Ų | 130.3 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | 91.5 | 139 | 86.4 | -84.6 | -177.4 | -173.4 | 0 | 0 | 113.3 | |||||
| 602 | S | 31.8 | Very low | 37.4 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 64% | 0.636 | 72% | 0.715 | S | S | * | * | cis | -165.2 | 147.2 | -9.9 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 603 | S | 32.2 | Very low | 36.5 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 64.4 | 153.9 | 161 | 87.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 604 | T | 35.1 | Very low | 35.1 | Very low | 122 Ų | 122 | 138.5 Ų | 138.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -152.2 | 137.6 | -1.1 | -37.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 605 | P | 41 | Very low | 34.3 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -81.3 | 160.8 | 165.2 | 34.9 | -34.9 | 0 | 0 | 0 | 111.1 | ||||
| 606 | P | 37.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | -157 | -173.9 | 51 | 43.5 | -21.6 | 0 | 0 | 0 | 119.1 | |||||
| 607 | S | 31 | Very low | 33.6 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 102.2 | 108.8 | 138.8 | 77 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 608 | K | 31.3 | Very low | 33.6 | Very low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 72.9 | 135.5 | 125.3 | -86.1 | -175.1 | 176.8 | 178.8 | 0 | 121.7 | |||||
| 609 | R | 29.9 | Very low | 33.8 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 77% | 0.774 | 77% | 0.768 | S | S | * | * | trans | 72.2 | 150.3 | 158 | -65 | -171.4 | 163.4 | 147 | -2.8 | 116.1 | ||||
| 610 | E | 30.2 | Very low | 34 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | cis | -167.9 | -174.1 | -25.5 | -112.3 | 150.3 | -168.2 | 0 | 0 | 104.6 | ||||
| 611 | T | 33.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 139.3 Ų | 139.3 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 71.8 | 95.5 | 162.7 | -50.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 612 | E | 30.8 | Very low | 33.9 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | 44.7 | 108.7 | 124.9 | -58.3 | 161.4 | -163.6 | 0 | 0 | 120.7 | |||||
| 613 | A | 38 | Very low | 34.2 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -171 | 104.7 | 135.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N615 | A613-N615 PolarHBondContact O-N 2.97Š| ||
| 614 | N | 30.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -6.6 | 110.5 | 156 | -55.3 | -29.9 | 0 | 0 | 0 | 119.4 | ||||
| 615 | N | 31.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | trans | -147.9 | 118.7 | 140.8 | -169.4 | -6.2 | 0 | 0 | 0 | 109.7 | A613 | A613-N615 PolarHBondContact O-N 2.97Š| ||
| 616 | S | 32.7 | Very low | 36.3 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -94.5 | 117.2 | -166.5 | -57.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 617 | N | 28.6 | Very low | 36.7 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | trans | -125.9 | 66.5 | 164.6 | -175.5 | 20.2 | 0 | 0 | 0 | 110.4 | ||||
| 618 | S | 35.3 | Very low | 37.7 | Very low | 106 Ų | 106 | 143.7 Ų | 143.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -94.2 | 97.8 | -178.5 | -59.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 619 | K | 39.6 | Very low | 39.3 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -98.5 | 72.8 | 162.4 | -76.1 | -168.3 | 174.2 | -173.9 | 0 | 110.4 | ||||
| 620 | S | 41 | Very low | 40.8 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -72.7 | 138 | 168 | 47.8 | 0 | 0 | 0 | 0 | 110.7 | G622 | S620-G622 PolarHBondContact O-N 2.92Š| ||
| 621 | N | 33.3 | Very low | 42 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 94% | 0.936 | 73% | 0.73 | S | S | * | * | trans | -69.5 | 122.1 | 174.2 | -64.1 | -65.7 | 0 | 0 | 0 | 110.4 | ||||
| 622 | G | 36 | Very low | 43.5 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | trans | 178.3 | 121.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S620 | S620-G622 PolarHBondContact O-N 2.92Š| ||
| 623 | L | 38.1 | Very low | 44.9 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | trans | 50.6 | 113.8 | -177.8 | -70.2 | 87.8 | 0 | 0 | 0 | 116.3 | M625 | L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 PolarHBondContact O-N 3.43Å | ||
| 624 | I | 48.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 131.9 Ų | 131.9 | 86% | 0.856 | 70% | 0.702 | S | S | * | * | trans | -75 | 87.1 | 168.3 | -55.2 | 173.6 | 0 | 0 | 0 | 108.6 | V626 | I624-V626 PolarHBondContact O-N 3.23Š| ||
| 625 | M | 51.4 | Low | 46.3 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 85% | 0.847 | 68% | 0.683 | S | S | * | * | trans | -66.5 | 120.2 | 159.9 | -79.9 | -168.1 | -73 | 0 | 0 | 108.7 | L623 D627 | L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 PolarHBondContact O-N 3.43Å; M625-D627 PolarHBondContact O-N 3.45Å | ||
| 626 | V | 52.6 | Low | 46.9 | Very low | 84 Ų | 84 | 126.8 Ų | 126.8 | 51% | 0.509 | 68% | 0.677 | S | S | . | * | trans | -73.6 | 97.1 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | I624 Y628 Y631 | I624-V626 PolarHBondContact O-N 3.23Å; V626-Y628 WeakPolarHBondContact O-CD2 3.34Å; V626-Y628 PolarHBondContact O-N 2.8Å; V626-Y631 HydrophobicContact CG1-CD2 4.25Å | ||
| 627 | D | 47.4 | Very low | 47.5 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 46% | 0.46 | 67% | 0.67 | S | S | . | * | trans | -68.7 | 96.9 | 169.4 | -174.9 | -8.1 | 0 | 0 | 0 | 109.1 | M625 T629 Q630 Y631 | M625-D627 PolarHBondContact O-N 3.45Å; D627-T629 PolarHBondContact O-N 2.81Å; D627-T629 VanDerWaalsContact O-N 3.14Å; D627-T629 VanDerWaalsContact OD1-CA 3.32Å; D627-T629 WeakPolarHBondContact OD1-CA 3.46Å; D627-T629 WeakPolarHBondContact OD1-CB 3.44Å; D627-T629 WeakPolarHBondContact OD1-CG2 3.48Å; D627-T629 PolarHBondContact OD1-N 2.93Å; D627-T629 PolarHBondContact OD1-OG1 2.85Å; D627-T629 PolarHBondContact OD2-OG1 2.63Å; D627-Q630 HydrophobicContact CB-CB 4.15Å; D627-Q630 WeakPolarHBondContact O-CB 3.35Å; D627-Q630 PolarHBondContact O-N 2.68Å; D627-Q630 PolarHBondContact OD1-N 2.71Å; D627-Y631 PolarHBondContact O-N 2.89Å | ||
| 628 | Y | 51.4 | Low | 48 | Very low | 181 Ų | 181 | 124 Ų | 124 | 71% | 0.71 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -55 | -27.2 | 174.1 | -75.6 | -91.9 | 0 | 0 | 0 | 112.2 | V626 Q630 Y631 L632 | V626-Y628 WeakPolarHBondContact O-CD2 3.34Å; V626-Y628 PolarHBondContact O-N 2.8Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.35Å; Y628-Y631 PolarHBondContact O-N 3.07Å; Y628-L632 WeakPolarHBondContact O-CB 3.32Å; Y628-L632 WeakPolarHBondContact O-CD1 3.42Å; Y628-L632 VanDerWaalsContact O-CG 3.27Å; Y628-L632 WeakPolarHBondContact O-CG 3.16Å; Y628-L632 PolarHBondContact O-N 3.5Å |
| 629 | T | 65.4 | Low | 48.3 | Very low | 72 Ų | 72 | 128 Ų | 128 | 44% | 0.442 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -75 | -16.5 | 176.7 | 87.3 | 0 | 0 | 0 | 0 | 113.3 | D627 K633 | D627-T629 PolarHBondContact O-N 2.81Å; D627-T629 VanDerWaalsContact O-N 3.14Å; D627-T629 VanDerWaalsContact OD1-CA 3.32Å; D627-T629 WeakPolarHBondContact OD1-CA 3.46Å; D627-T629 WeakPolarHBondContact OD1-CB 3.44Å; D627-T629 WeakPolarHBondContact OD1-CG2 3.48Å; D627-T629 PolarHBondContact OD1-N 2.93Å; D627-T629 PolarHBondContact OD1-OG1 2.85Å; D627-T629 PolarHBondContact OD2-OG1 2.63Å; T629-K633 VanDerWaalsContact O-CG 3.32Å; T629-K633 WeakPolarHBondContact O-CG 3.19Å; T629-K633 PolarHBondContact O-NZ 2.84Å; T629-K633 PolarHBondContact OG1-NZ 3.48Å |
| 630 | Q | 61.1 | Low | 48.6 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 39% | 0.388 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -86.4 | -40.7 | 170.7 | -171.5 | 58.6 | 30.9 | 0 | 0 | 110.5 | D627 Y628 L632 K633 D634 | D627-Q630 HydrophobicContact CB-CB 4.15Å; D627-Q630 WeakPolarHBondContact O-CB 3.35Å; D627-Q630 PolarHBondContact O-N 2.68Å; D627-Q630 PolarHBondContact OD1-N 2.71Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.35Å; Q630-L632 PolarHBondContact O-N 3.39Å; Q630-K633 PolarHBondContact O-N 3.01Å; Q630-D634 WeakPolarHBondContact CG-OD2 3.2Å; Q630-D634 PolarHBondContact NE2-OD1 2.95Å; Q630-D634 PolarHBondContact NE2-OD2 3.09Å; Q630-D634 PolarHBondContact O-N 3.45Å |
| 631 | Y | 55.9 | Low | 48.7 | Very low | 178 Ų | 178 | 122 Ų | 122 | 70% | 0.698 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -59.5 | -34.9 | 169 | -105.2 | -91.6 | 0 | 0 | 0 | 112.5 | V626 D627 Y628 K633 A635 | V626-Y631 HydrophobicContact CG1-CD2 4.25Å; D627-Y631 PolarHBondContact O-N 2.89Å; Y628-Y631 PolarHBondContact O-N 3.07Å; Y631-K633 PolarHBondContact O-N 2.87Å; Y631-A635 WeakPolarHBondContact O-CB 3.42Å; Y631-A635 PolarHBondContact O-N 3.02Å |
| 632 | L | 63.6 | Low | 48.9 | Very low | 141 Ų | 141 | 120.6 Ų | 120.6 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.5 | -9.2 | 172 | -78 | 163.9 | 0 | 0 | 0 | 114.7 | Y628 Q630 | Y628-L632 WeakPolarHBondContact O-CB 3.32Å; Y628-L632 WeakPolarHBondContact O-CD1 3.42Å; Y628-L632 VanDerWaalsContact O-CG 3.27Å; Y628-L632 WeakPolarHBondContact O-CG 3.16Å; Y628-L632 PolarHBondContact O-N 3.5Å; Q630-L632 PolarHBondContact O-N 3.39Å |
| 633 | K | 61.3 | Low | 49.6 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 51% | 0.513 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -106.1 | -41.9 | 175.3 | -70.2 | 177.5 | -164.8 | 97.7 | 0 | 112 | T629 Q630 Y631 A635 | T629-K633 VanDerWaalsContact O-CG 3.32Å; T629-K633 WeakPolarHBondContact O-CG 3.19Å; T629-K633 PolarHBondContact O-NZ 2.84Å; T629-K633 PolarHBondContact OG1-NZ 3.48Å; Q630-K633 PolarHBondContact O-N 3.01Å; Y631-K633 PolarHBondContact O-N 2.87Å; K633-A635 VanDerWaalsContact C-N 3.26Å; K633-A635 PolarHBondContact O-N 3.45Å |
| 634 | D | 47.8 | Very low | 50.2 | Low | 98 Ų | 98 | 119.9 Ų | 119.9 | 52% | 0.524 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -76.9 | -14.8 | 179.3 | -63.9 | -23.3 | 0 | 0 | 0 | 112.5 | Q630 H636 | Q630-D634 WeakPolarHBondContact CG-OD2 3.2Å; Q630-D634 PolarHBondContact NE2-OD1 2.95Å; Q630-D634 PolarHBondContact NE2-OD2 3.09Å; Q630-D634 PolarHBondContact O-N 3.45Å; D634-H636 PolarHBondContact O-N 3.14Å |
| 635 | A | 51.1 | Low | 50.4 | Low | 61 Ų | 61 | 118.5 Ų | 118.5 | 50% | 0.504 | 64% | 0.637 | S | S | . | * | trans | -66.3 | 70.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y631 K633 V637 | Y631-A635 WeakPolarHBondContact O-CB 3.42Å; Y631-A635 PolarHBondContact O-N 3.02Å; K633-A635 VanDerWaalsContact C-N 3.26Å; K633-A635 PolarHBondContact O-N 3.45Å; A635-V637 PolarHBondContact O-N 2.95Å | ||
| 636 | H | 43.4 | Very low | 50.3 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 73% | 0.731 | 64% | 0.636 | S | S | * | * | trans | -69.2 | 49.4 | 175.3 | -82.9 | -86.2 | 0 | 0 | 0 | 112.9 | D634 S638 | D634-H636 PolarHBondContact O-N 3.14Å; H636-S638 PolarHBondContact O-N 2.97Å | ||
| 637 | V | 45 | Very low | 49.9 | Very low | 97 Ų | 97 | 118.5 Ų | 118.5 | 59% | 0.588 | 64% | 0.637 | S | S | * | * | trans | -55.2 | 113.7 | 158.7 | 178.8 | 0 | 0 | 0 | 0 | 106.4 | A635 F639 | A635-V637 PolarHBondContact O-N 2.95Å; V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 3.86Å; V637-F639 HydrophobicContact CG1-CD2 3.76Å; V637-F639 HydrophobicContact CG1-CE2 3.59Å; V637-F639 HydrophobicContact CG1-CG 4.39Å; V637-F639 HydrophobicContact CG1-CZ 4.08Å; V637-F639 PolarHBondContact O-N 3.25Å | ||
| 638 | S | 39.6 | Very low | 49.7 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -75.4 | 77.6 | -178.4 | -69.8 | 0 | 0 | 0 | 0 | 110 | H636 S640 | H636-S638 PolarHBondContact O-N 2.97Å; S638-S640 PolarHBondContact O-N 2.83Å; S638-S640 PolarHBondContact O-OG 3.26Å | ||
| 639 | F | 41.8 | Very low | 49.7 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.833 | 66% | 0.661 | S | S | * | * | trans | -63.3 | 64.5 | 166.3 | -76.7 | -78.9 | 0 | 0 | 0 | 110.5 | V637 G641 | V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 3.86Å; V637-F639 HydrophobicContact CG1-CD2 3.76Å; V637-F639 HydrophobicContact CG1-CE2 3.59Å; V637-F639 HydrophobicContact CG1-CG 4.39Å; V637-F639 HydrophobicContact CG1-CZ 4.08Å; V637-F639 PolarHBondContact O-N 3.25Å; F639-G641 PolarHBondContact O-N 3.15Å | ||
| 640 | S | 44.3 | Very low | 48.9 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 68% | 0.681 | S | S | * | * | trans | -76.3 | 71.8 | 176.1 | -61.2 | 0 | 0 | 0 | 0 | 108.4 | S638 N642 | S638-S640 PolarHBondContact O-N 2.83Å; S638-S640 PolarHBondContact O-OG 3.26Å; S640-N642 PolarHBondContact O-N 3.22Å | ||
| 641 | G | 43.5 | Very low | 48.1 | Very low | 72 Ų | 72 | 132 Ų | 132 | 74% | 0.742 | 70% | 0.704 | S | S | * | * | trans | -54 | 90.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F639 | F639-G641 PolarHBondContact O-N 3.15Š| ||
| 642 | N | 38.1 | Very low | 47.9 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 78% | 0.775 | 71% | 0.713 | S | S | * | * | trans | -159.2 | 34 | 176.9 | -87.8 | -60.6 | 0 | 0 | 0 | 111.1 | S640 | S640-N642 PolarHBondContact O-N 3.22Š| ||
| 643 | D | 49.6 | Very low | 47.3 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 72% | 0.715 | S | S | * | * | trans | -100.6 | 115.1 | 163.5 | -150.8 | -41.4 | 0 | 0 | 0 | 110 | ||||
| 644 | P | 50.9 | Low | 46.6 | Very low | 88 Ų | 88 | 136 Ų | 136 | 57% | 0.571 | 73% | 0.733 | S | S | * | * | trans | -101 | 28.5 | -172.7 | -2.9 | 26.3 | 0 | 0 | 0 | 115.1 | K164 | K164-P644 PolarHBondContact NZ-O 2.96Š| ||
| 645 | L | 54 | Low | 46.6 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -130.6 | -11 | -167.8 | -70 | 175.7 | 0 | 0 | 0 | 118.9 | ||
| 646 | D | 47.8 | Very low | 46.4 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -107.6 | 74.2 | 175.9 | -72.7 | -44.9 | 0 | 0 | 0 | 111.3 | ||||
| 647 | D | 45 | Very low | 46.4 | Very low | 99 Ų | 99 | 142 Ų | 142 | 53% | 0.529 | 76% | 0.758 | S | S | . | * | trans | -148 | 25.1 | -168.5 | -158.5 | 46.9 | 0 | 0 | 0 | 113.1 | R161 | R161-D647 IonicContact CZ-OD2 2.69Å; R161-D647 IonicContact NH2-OD2 3.51Å; R161-D647 PolarHBondContact NH2-OD2 3.5Å | ||
| 648 | D | 44.2 | Very low | 46.5 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -149.9 | 36.6 | -172 | -73.2 | -65.5 | 0 | 0 | 0 | 115.3 | ||
| 649 | R | 51.1 | Low | 46.7 | Very low | 237 Ų | 237 | 147.5 Ų | 147.5 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -144.1 | 156.3 | 166.8 | -71.9 | -166.8 | 177.2 | -179 | -2.3 | 112.3 | ||
| 650 | D | 48.3 | Very low | 46.9 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | 71.1 | 66.2 | 174.8 | -51.6 | -13.7 | 0 | 0 | 0 | 116.3 | ||||
| 651 | D | 43.7 | Very low | 46.5 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -150.3 | 48.6 | 173.9 | -119.2 | -15.2 | 0 | 0 | 0 | 112 | ||||
| 652 | D | 52.9 | Low | 46.4 | Very low | 165 Ų | 165 | 146.7 Ų | 146.7 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | trans | -167.2 | 133.6 | 168.2 | -84.8 | -45.3 | 0 | 0 | 0 | 104.6 | ||||
| 653 | E | 50.7 | Low | 46.6 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | cis | -133.8 | 137.6 | 15.5 | -56 | 169.9 | 142.5 | 0 | 0 | 110.7 | ||||
| 654 | Q | 46.5 | Very low | 46 | Very low | 190 Ų | 190 | 144.3 Ų | 144.3 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -126.7 | 96.1 | 158.4 | -77.8 | -170.6 | 2.3 | 0 | 0 | 108.4 | ||||
| 655 | L | 47.9 | Very low | 45.5 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | trans | -94.6 | 122.5 | 178 | -70.9 | 176.3 | 0 | 0 | 0 | 110.8 | ||||
| 656 | I | 45.4 | Very low | 45 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -97.4 | 129.6 | 177 | -61.2 | 168 | 0 | 0 | 0 | 108 | ||||
| 657 | I | 43.5 | Very low | 44.6 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -142.5 | 97.3 | 163.3 | -51.9 | 178.6 | 0 | 0 | 0 | 103.7 | ||||
| 658 | D | 47.5 | Very low | 44.3 | Very low | 146 Ų | 146 | 146.5 Ų | 146.5 | 78% | 0.781 | 78% | 0.782 | S | S | * | * | 58.8 | 79 | 87.4 | -86.9 | -32.4 | 0 | 0 | 0 | 113.6 | |||||
| 659 | D | 45 | Very low | 44 | Very low | 166 Ų | 166 | 147 Ų | 147 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -82.3 | 119 | 166.4 | -80.7 | -52.1 | 0 | 0 | 0 | 111 | N661 | D659-N661 PolarHBondContact O-N 3.36Š| ||
| 660 | G | 44.2 | Very low | 43.2 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 105.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 661 | N | 36.4 | Very low | 42.7 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | 17.9 | 116.5 | 143.4 | 178.1 | 91.5 | 0 | 0 | 0 | 119.2 | D659 | D659-N661 PolarHBondContact O-N 3.36Š| ||
| 662 | D | 41.9 | Very low | 42.3 | Very low | 140 Ų | 140 | 142.1 Ų | 142.1 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | 171.6 | 152.3 | 125.6 | -95.1 | -41.8 | 0 | 0 | 0 | 110.4 | |||||
| 663 | S | 42.2 | Very low | 41.6 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 56% | 0.559 | 76% | 0.764 | S | S | * | * | cis | -170.3 | 141.1 | -28.7 | -114.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 664 | T | 37.1 | Very low | 40.9 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 87% | 0.871 | 77% | 0.767 | S | S | * | * | trans | 58.6 | 168.8 | 168.7 | 28.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 665 | A | 40.2 | Very low | 40.2 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | cis | -160.1 | 156.2 | -6.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 666 | E | 42.8 | Very low | 39.8 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | cis | -168 | -172.8 | -2.9 | -82.7 | -108.9 | 80.9 | 0 | 0 | 104.5 | ||||
| 667 | E | 41.2 | Very low | 39.9 | Very low | 161 Ų | 161 | 138 Ų | 138 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | -7.7 | 147.8 | 157.3 | -56.3 | -175.4 | 141.3 | 0 | 0 | 120.4 | ||||
| 668 | D | 37.8 | Very low | 40.1 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | cis | -161 | 169 | 8.7 | -141.3 | -12.3 | 0 | 0 | 0 | 117.8 | ||||
| 669 | Q | 37.3 | Very low | 39.3 | Very low | 156 Ų | 156 | 133.7 Ų | 133.7 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | 7.4 | 110.1 | 156.8 | -75.7 | 161 | 86.8 | 0 | 0 | 122.8 | ||||
| 670 | Q | 34.3 | Very low | 38.7 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | 13.4 | 160.3 | 116.5 | -71.8 | -163.4 | 31.5 | 0 | 0 | 121.9 | |||||
| 671 | P | 39.3 | Very low | 38.3 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | cis | -147.1 | 161.9 | -28.9 | 39.6 | -21.2 | 0 | 0 | 0 | 117.2 | ||||
| 672 | K | 35.3 | Very low | 38.1 | Very low | 190 Ų | 190 | 134 Ų | 134 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | 44.3 | 120.2 | 141.5 | -60.8 | 165.3 | -176.3 | 167.7 | 0 | 120.5 | ||||
| 673 | K | 36.6 | Very low | 37.8 | Very low | 216 Ų | 216 | 135.2 Ų | 135.2 | 94% | 0.939 | 76% | 0.758 | S | S | * | * | -173.2 | 152.5 | 98.5 | -102 | 170.6 | -175.7 | 174.2 | 0 | 113 | |||||
| 674 | A | 36.4 | Very low | 37.4 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -111.9 | 161.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 675 | K | 32.2 | Very low | 37.3 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 92% | 0.922 | 76% | 0.757 | S | S | * | * | trans | -156.9 | 146.5 | 148.4 | -147.5 | 166.9 | -178.9 | 177.6 | 0 | 112.8 | ||||
| 676 | A | 38.5 | Very low | 37.3 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | trans | -126.5 | -160 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 677 | P | 48.9 | Very low | 37.2 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 76% | 0.757 | S | S | * | * | cis | -112.3 | -98.8 | -22.7 | 25.6 | -0.9 | 0 | 0 | 0 | 109.7 | ||||
| 678 | P | 47.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -133.7 | 172.6 | -27.7 | 41.8 | -24.6 | 0 | 0 | 0 | 117.3 | ||||
| 679 | A | 31.3 | Very low | 37.7 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | 83.6 | 148.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 680 | A | 32.2 | Very low | 38.4 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 73.6 | 149.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 681 | T | 35 | Very low | 38.8 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | cis | -162 | 144.8 | 12 | -16.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 682 | H | 32.5 | Very low | 38.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | 64 | 160.9 | 139.9 | -96.9 | -135.8 | 0 | 0 | 0 | 119.7 | ||||
| 683 | E | 34.9 | Very low | 38.9 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | cis | -138.4 | -159.5 | 0.7 | -64.1 | -147.6 | 134.9 | 0 | 0 | 113.9 | ||||
| 684 | S | 33.8 | Very low | 39.1 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -77.8 | 174.5 | 176 | 47.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 685 | S | 35.4 | Very low | 39.4 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | cis | -169.3 | -155.9 | -14.5 | 49.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 686 | T | 40.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -164.6 | 146.9 | 8.3 | -13.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 687 | E | 40.1 | Very low | 40.2 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | trans | 57.4 | 159.4 | 155.9 | -69.8 | 158.9 | 163.2 | 0 | 0 | 118.1 | ||||
| 688 | E | 40.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | cis | -151.7 | 171.8 | -9.2 | -131.5 | -153.3 | 136.9 | 0 | 0 | 106.6 | ||||
| 689 | A | 48.6 | Very low | 39.6 | Very low | 74 Ų | 74 | 130 Ų | 130 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | cis | -154.4 | 167.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 690 | P | 53 | Low | 39.7 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -118.4 | 171.9 | -169.2 | 41.8 | -32.8 | 0 | 0 | 0 | 117.1 | ||||
| 691 | L | 42.8 | Very low | 39.9 | Very low | 170 Ų | 170 | 136.2 Ų | 136.2 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | trans | -128.8 | 153 | 157.8 | -74.3 | 178 | 0 | 0 | 0 | 111.4 | ||||
| 692 | P | 39.2 | Very low | 39.7 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -121.5 | 157.9 | -152.3 | 39.6 | -26.6 | 0 | 0 | 0 | 116.8 | ||||
| 693 | S | 36.7 | Very low | 39.8 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | trans | -85.8 | 132.4 | 167.8 | 172.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 694 | V | 41.7 | Very low | 39.9 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | trans | -152 | 116 | 166.6 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 695 | F | 42.4 | Very low | 39.8 | Very low | 204 Ų | 204 | 139 Ų | 139 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | -173.4 | 141.9 | 112.7 | -106.8 | -70 | 0 | 0 | 0 | 112.6 | |||||
| 696 | D | 38.4 | Very low | 39.7 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -97.4 | 172.1 | -172.1 | -100.5 | -62.6 | 0 | 0 | 0 | 114.2 | ||||
| 697 | L | 49.6 | Very low | 39.4 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -55.6 | 166.6 | 171.6 | -66.7 | 154 | 0 | 0 | 0 | 113.3 | ||||
| 698 | P | 41.7 | Very low | 39.2 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | -133.3 | 151.1 | 108.1 | 14.6 | 5.3 | 0 | 0 | 0 | 114.8 | |||||
| 699 | S | 40.3 | Very low | 39.1 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -82.6 | 149.7 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 700 | F | 33.6 | Very low | 38.5 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | trans | -136.3 | 101.7 | 158.4 | 179.9 | -107.1 | 0 | 0 | 0 | 110.9 | N702 | F700-N702 WeakPolarHBondContact CZ-O 3.43Š| ||
| 701 | M | 37.2 | Very low | 37.8 | Very low | 147 Ų | 147 | 135.1 Ų | 135.1 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 163.7 | 158.4 | -64.4 | 175.4 | 71.7 | 0 | 0 | 109.6 | ||||
| 702 | N | 31.5 | Very low | 37.4 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 69% | 0.69 | 79% | 0.785 | S | S | * | * | trans | 63.6 | 92.5 | 169.6 | -62.3 | -19.3 | 0 | 0 | 0 | 116.8 | F700 | F700-N702 WeakPolarHBondContact CZ-O 3.43Š| ||
| 703 | N | 34.4 | Very low | 37.2 | Very low | 137 Ų | 137 | 138.7 Ų | 138.7 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | -154.2 | 137.6 | 103.4 | -105.2 | -28.1 | 0 | 0 | 0 | 116.4 | |||||
| 704 | M | 36.8 | Very low | 37 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -8.6 | 128.2 | 158.8 | -59.5 | -178.1 | -176.6 | 0 | 0 | 120 | ||||
| 705 | L | 31.8 | Very low | 36.4 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | 41.4 | 89.6 | 110.3 | -153.4 | 83.1 | 0 | 0 | 0 | 117.4 | |||||
| 706 | G | 32.1 | Very low | 36 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | trans | 177.1 | 107.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 707 | Q | 35.5 | Very low | 35.5 | Very low | 206 Ų | 206 | 135.2 Ų | 135.2 | 96% | 0.963 | 78% | 0.777 | S | S | * | * | trans | -2.1 | 146.9 | 154.2 | -51.6 | 175.4 | 7.1 | 0 | 0 | 120.5 | ||||
| 708 | G | 35.7 | Very low | 34.5 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | 131.8 | 78.7 | 137.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 709 | S | 38.1 | Very low | 34 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 38.7 | 127.9 | 135.3 | -52.7 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 710 | S | 36.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 78 | 97.7 | 134.7 | -62.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 711 | A | 36.6 | Very low | 33.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | 79.8 | 119.4 | 109.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 712 | R | 36.5 | Very low | 34.2 | Very low | 218 Ų | 218 | 128.9 Ų | 128.9 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | trans | 76.6 | 130.7 | 137.1 | -92.5 | -169.7 | 170.9 | -156.6 | -0.3 | 121.7 | ||||
| 713 | Q | 33.5 | Very low | 34.5 | Very low | 140 Ų | 140 | 130 Ų | 130 | 65% | 0.654 | 79% | 0.787 | S | S | * | * | trans | 89.6 | 128 | 138.1 | -81.3 | -176.6 | 4.2 | 0 | 0 | 121 | ||||
| 714 | L | 32.2 | Very low | 34.5 | Very low | 137 Ų | 137 | 131.6 Ų | 131.6 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | 70.1 | 113.3 | 150.2 | -59.3 | 167.1 | 0 | 0 | 0 | 116.7 | ||||
| 715 | L | 30 | Very low | 34.2 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | 64.8 | 133.9 | 81.1 | -74 | -173.2 | 0 | 0 | 0 | 113.6 | |||||
| 716 | P | 33 | Very low | 34.4 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | -128.9 | 172.4 | -87.1 | 39.8 | -28.7 | 0 | 0 | 0 | 113.4 | |||||
| 717 | A | 29 | Very low | 34.5 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 64.3 | 154.1 | 172 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 718 | S | 28.9 | Very low | 34.7 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | cis | -155.7 | 151.9 | -21.3 | -104 | 0 | 0 | 0 | 0 | 110 | ||||
| 719 | A | 30.2 | Very low | 34.6 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | 39.7 | 103.2 | 154 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 720 | T | 37.4 | Very low | 34.7 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 56.6 | 131.1 | 128.4 | 61.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 721 | S | 30.7 | Very low | 34.8 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -154.7 | 147.6 | 142.3 | -84.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 722 | P | 46.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | trans | -123.2 | 161.3 | -167.9 | 41.1 | -28.1 | 0 | 0 | 0 | 116.1 | ||||
| 723 | N | 38.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 126 Ų | 126 | 81% | 0.807 | 77% | 0.773 | S | S | * | * | trans | -170.4 | 153.4 | 156.5 | -114.8 | -88.2 | 0 | 0 | 0 | 108.3 | ||||
| 724 | Q | 34.1 | Very low | 34.9 | Very low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | S | Bend | cis | -104.8 | 162.5 | -0.7 | -71.1 | 168.5 | -32.8 | 0 | 0 | 110 | ||
| 725 | E | 31.3 | Very low | 35 | Very low | 147 Ų | 147 | 125.5 Ų | 125.5 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | S | Bend | cis | -149.8 | 148.3 | 14.1 | -144.2 | -178 | 110.8 | 0 | 0 | 111.9 | ||
| 726 | N | 35 | Very low | 35 | Very low | 131 Ų | 131 | 123.4 Ų | 123.4 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 54.4 | 99.1 | 158.7 | -59.4 | -27.7 | 0 | 0 | 0 | 123.5 | ||||
| 727 | A | 35.9 | Very low | 35 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | 80.3 | 130.1 | 126.2 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 728 | H | 37.8 | Very low | 35.1 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | 85.2 | 94.3 | 145 | -102.6 | 82.3 | 0 | 0 | 0 | 124.4 | ||||
| 729 | L | 34.1 | Very low | 35.4 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | 35.2 | 160.2 | 121.7 | -54.5 | 176.4 | 0 | 0 | 0 | 123.2 | |||||
| 730 | P | 41.5 | Very low | 35.6 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | -145.9 | 159.8 | -55 | 41.9 | -23.6 | 0 | 0 | 0 | 117.5 | |||||
| 731 | G | 38.7 | Very low | 35.8 | Very low | 88 Ų | 88 | 131.3 Ų | 131.3 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | 90.5 | 154.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 732 | G | 38.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | 138.6 | 102.3 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 733 | D | 34.3 | Very low | 35.1 | Very low | 138 Ų | 138 | 131.4 Ų | 131.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -87.9 | 158 | -164.2 | -128 | 3.6 | 0 | 0 | 0 | 118.8 | ||||
| 734 | Q | 35.7 | Very low | 34.7 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 70.8 | 137.7 | 140.7 | -76.1 | -179 | 74.3 | 0 | 0 | 127.6 | ||||
| 735 | S | 33.6 | Very low | 34.5 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 104.9 | 124.2 | 134.1 | 72.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 736 | T | 30.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | 16.8 | 145.2 | 146.4 | 49.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 737 | H | 33.5 | Very low | 34.9 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | -167.2 | 171.8 | 67.3 | -87.4 | -82.2 | 0 | 0 | 0 | 115.2 | |||||
| 738 | K | 30.5 | Very low | 35.1 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -73.1 | 152.8 | 173.9 | -75.6 | 178.5 | 171.1 | 178.1 | 0 | 114.1 | ||||
| 739 | S | 34.3 | Very low | 35.2 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 90% | 0.902 | 80% | 0.797 | S | S | * | * | trans | -169 | 157.3 | 139.8 | -83.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 740 | A | 34.4 | Very low | 35.6 | Very low | 93 Ų | 93 | 121 Ų | 121 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -131.4 | -169.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 741 | P | 41.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -136.2 | -152.6 | -3.8 | 29.4 | -2.5 | 0 | 0 | 0 | 112.8 | ||||
| 742 | I | 32.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 120.6 Ų | 120.6 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | 81.2 | 133.3 | 160 | -54.1 | 160.3 | 0 | 0 | 0 | 117.6 | ||||
| 743 | G | 30 | Very low | 36 | Very low | 74 Ų | 74 | 127.7 Ų | 127.7 | 76% | 0.763 | 78% | 0.776 | S | S | * | * | trans | 146.2 | 102.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 744 | G | 30.4 | Very low | 36.8 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 93% | 0.928 | 77% | 0.773 | S | S | * | * | trans | -77.9 | 160.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 745 | G | 31.6 | Very low | 37.4 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -166.7 | 101.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 746 | T | 33.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -66 | 136.8 | 179.2 | 49.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 747 | S | 40.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | 171.2 | 141 | 106.8 | 48.9 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 748 | T | 38.9 | Very low | 37.8 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | 19.2 | 121.9 | 149.4 | 57.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 749 | N | 40.3 | Very low | 38.2 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | -155.4 | 126.7 | 119 | -103.5 | -52.8 | 0 | 0 | 0 | 110.7 | |||||
| 750 | V | 43.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | -93.4 | -16.2 | -157.2 | 177.4 | 0 | 0 | 0 | 0 | 114.1 | G752 | V750-G752 PolarHBondContact O-N 3.47Š| ||
| 751 | L | 37.3 | Very low | 38.6 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -73.4 | -17.2 | -167.5 | -74.3 | 160.3 | 0 | 0 | 0 | 115.7 | ||
| 752 | G | 43.2 | Very low | 39.2 | Very low | 57 Ų | 57 | 129.4 Ų | 129.4 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -68.9 | -34.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V750 I754 | V750-G752 PolarHBondContact O-N 3.47Å; G752-I754 VanDerWaalsContact C-N 3.25Å; G752-I754 PolarHBondContact O-N 2.9Å |
| 753 | R | 45.9 | Very low | 40.7 | Very low | 236 Ų | 236 | 126.2 Ų | 126.2 | 89% | 0.891 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -77.9 | -1.1 | -173.9 | -80.5 | -176.4 | 171.9 | 162.5 | -2.2 | 115.3 | ||
| 754 | I | 50.2 | Low | 42.8 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 67% | 0.667 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -101.2 | -19.6 | -174.2 | -60.5 | 175.3 | 0 | 0 | 0 | 111.8 | G752 | G752-I754 VanDerWaalsContact C-N 3.25Å; G752-I754 PolarHBondContact O-N 2.9Å |
| 755 | L | 48.5 | Very low | 44.5 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -17 | -174.6 | -71.2 | 167.5 | 0 | 0 | 0 | 114.7 | ||
| 756 | F | 39.3 | Very low | 46.3 | Very low | 170 Ų | 170 | 131.6 Ų | 131.6 | 75% | 0.746 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -120.4 | 104.6 | 169.5 | -70.5 | -82 | 0 | 0 | 0 | 109.4 | D758 | F756-D758 VanDerWaalsContact C-N 3.33Å; F756-D758 PolarHBondContact O-N 3.39Å |
| 757 | G | 33.8 | Very low | 48.2 | Very low | 76 Ų | 76 | 127.3 Ų | 127.3 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | trans | -82.9 | 67.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | K759 | G757-K759 PolarHBondContact O-N 3.36Š| ||
| 758 | D | 32.6 | Very low | 49.7 | Very low | 161 Ų | 161 | 124.8 Ų | 124.8 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | trans | -67.7 | 80.9 | 172.4 | -77.4 | -35.8 | 0 | 0 | 0 | 111.2 | F756 | F756-D758 VanDerWaalsContact C-N 3.33Å; F756-D758 PolarHBondContact O-N 3.39Å | ||
| 759 | K | 40.1 | Very low | 51.2 | Low | 197 Ų | 197 | 124.9 Ų | 124.9 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | trans | -109 | 78.3 | 162.2 | -73.4 | -164.8 | 175.5 | -173.9 | 0 | 109.2 | G757 S761 | G757-K759 PolarHBondContact O-N 3.36Å; K759-S761 PolarHBondContact O-N 2.86Å | ||
| 760 | Q | 34.5 | Very low | 52.8 | Low | 195 Ų | 195 | 123.3 Ų | 123.3 | 91% | 0.911 | 66% | 0.656 | S | S | * | * | trans | -56.9 | 109.3 | 163.1 | -166.2 | 173.3 | 15.8 | 0 | 0 | 107.5 | D762 | Q760-D762 PolarHBondContact O-N 3.42Å; Q760-D762 VanDerWaalsContact O-N 3.09Å | ||
| 761 | S | 41.6 | Very low | 54.3 | Low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | trans | -72.2 | 108.1 | -174.9 | 62.9 | 0 | 0 | 0 | 0 | 109.4 | K759 | K759-S761 PolarHBondContact O-N 2.86Š| ||
| 762 | D | 55.7 | Low | 56 | Low | 84 Ų | 84 | 123.7 Ų | 123.7 | 45% | 0.449 | 64% | 0.641 | S | S | . | * | trans | -49.8 | 121.6 | 175 | 166.7 | 30.6 | 0 | 0 | 0 | 110.8 | Q760 E764 A765 R766 | Q760-D762 PolarHBondContact O-N 3.42Å; Q760-D762 VanDerWaalsContact O-N 3.09Å; D762-E764 PolarHBondContact O-N 2.89Å; D762-E764 WeakPolarHBondContact OD1-CB 3.4Å; D762-E764 PolarHBondContact OD1-N 2.96Å; D762-A765 HydrophobicContact CB-CB 4.02Å; D762-A765 PolarHBondContact O-N 2.9Å; D762-A765 VanDerWaalsContact OD2-CB 3.29Å; D762-A765 WeakPolarHBondContact OD2-CB 3.47Å; D762-A765 PolarHBondContact OD2-N 3.47Å; D762-R766 PolarHBondContact O-N 3.29Å; D762-R766 VanDerWaalsContact O-N 3.09Å | ||
| 763 | P | 63.5 | Low | 57.3 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.1 | -26.9 | 178 | 26.9 | -35.3 | 0 | 0 | 0 | 112.4 | R766 A767 | P763-R766 PolarHBondContact O-N 3.18Å; P763-A767 WeakPolarHBondContact O-CB 3.15Å; P763-A767 PolarHBondContact O-N 2.92Å |
| 764 | E | 72.5 | Confident | 58.6 | Low | 152 Ų | 152 | 119.8 Ų | 119.8 | 71% | 0.71 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.2 | -45.5 | 179.1 | -169.7 | 161.2 | -168 | 0 | 0 | 111.5 | D762 R766 A767 A768 | D762-E764 PolarHBondContact O-N 2.89Å; D762-E764 WeakPolarHBondContact OD1-CB 3.4Å; D762-E764 PolarHBondContact OD1-N 2.96Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.38Å; E764-A767 CarbonylContact O-C 3.59Å; E764-A767 PolarHBondContact O-N 3.44Å; E764-A767 VanDerWaalsContact O-N 3.12Å; E764-A768 WeakPolarHBondContact O-CB 3.26Å; E764-A768 PolarHBondContact O-N 3.02Å |
| 765 | A | 66.1 | Low | 59.8 | Low | 58 Ų | 58 | 122.6 Ų | 122.6 | 48% | 0.479 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -56.5 | -39.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D762 A768 F769 | D762-A765 HydrophobicContact CB-CB 4.02Å; D762-A765 PolarHBondContact O-N 2.9Å; D762-A765 VanDerWaalsContact OD2-CB 3.29Å; D762-A765 WeakPolarHBondContact OD2-CB 3.47Å; D762-A765 PolarHBondContact OD2-N 3.47Å; A765-A768 PolarHBondContact O-N 2.89Å; A765-F769 WeakPolarHBondContact O-CB 3.32Å; A765-F769 PolarHBondContact O-N 3.04Å |
| 766 | R | 70.4 | Confident | 60.4 | Low | 148 Ų | 148 | 120 Ų | 120 | 56% | 0.558 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.2 | -40.6 | 174.6 | -175.3 | 171.3 | 172.5 | 139.1 | -2 | 111.9 | D762 P763 E764 F769 Y770 | D762-R766 PolarHBondContact O-N 3.29Å; D762-R766 VanDerWaalsContact O-N 3.09Å; P763-R766 PolarHBondContact O-N 3.18Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.38Å; R766-F769 PolarHBondContact O-N 2.81Å; R766-Y770 HydrophobicContact CG-CD2 4.21Å; R766-Y770 HydrophobicContact CG-CE2 4Å; R766-Y770 VanDerWaalsContact O-CD2 3.25Å; R766-Y770 WeakPolarHBondContact O-CD2 3.24Å; R766-Y770 PolarHBondContact O-N 2.95Å; R766-Y770 VanDerWaalsContact O-N 3.16Å |
| 767 | A | 73.8 | Confident | 61.9 | Low | 49 Ų | 49 | 116.5 Ų | 116.5 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | P763 E764 Y770 R771 | P763-A767 WeakPolarHBondContact O-CB 3.15Å; P763-A767 PolarHBondContact O-N 2.92Å; E764-A767 CarbonylContact O-C 3.59Å; E764-A767 PolarHBondContact O-N 3.44Å; E764-A767 VanDerWaalsContact O-N 3.12Å; A767-Y770 PolarHBondContact O-N 3.27Å; A767-R771 WeakPolarHBondContact O-CG 3.18Å; A767-R771 PolarHBondContact O-N 3.31Å |
| 768 | A | 72 | Confident | 63.1 | Low | 53 Ų | 53 | 122.5 Ų | 122.5 | 44% | 0.438 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.6 | -45 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E764 A765 Y770 R771 D772 | E764-A768 WeakPolarHBondContact O-CB 3.26Å; E764-A768 PolarHBondContact O-N 3.02Å; A765-A768 PolarHBondContact O-N 2.89Å; A768-Y770 PolarHBondContact O-N 3.02Å; A768-R771 WeakPolarHBondContact O-CB 3.36Å; A768-R771 PolarHBondContact O-N 3.13Å; A768-R771 VanDerWaalsContact O-N 3.14Å; A768-D772 PolarHBondContact O-N 2.64Å |
| 769 | F | 71.1 | Confident | 64.1 | Low | 111 Ų | 111 | 121.7 Ų | 121.7 | 49% | 0.487 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.8 | -44 | 175.7 | -175.6 | -108.7 | 0 | 0 | 0 | 112.6 | A765 R766 D772 I773 | A765-F769 WeakPolarHBondContact O-CB 3.32Å; A765-F769 PolarHBondContact O-N 3.04Å; R766-F769 PolarHBondContact O-N 2.81Å; F769-D772 PolarHBondContact O-N 3.15Å; F769-I773 HydrophobicContact CD1-CD1 3.86Å; F769-I773 HydrophobicContact CE1-CD1 3.45Å; F769-I773 VanDerWaalsContact CE1-CD1 3.45Å; F769-I773 HydrophobicContact CE2-CD1 4.16Å; F769-I773 HydrophobicContact CG-CD1 4.38Å; F769-I773 HydrophobicContact CZ-CD1 3.64Å; F769-I773 WeakPolarHBondContact O-CG1 3.09Å; F769-I773 PolarHBondContact O-N 2.97Å; F769-I773 VanDerWaalsContact O-N 3.08Å |
| 770 | Y | 73.5 | Confident | 64.4 | Low | 125 Ų | 125 | 116.9 Ų | 116.9 | 49% | 0.49 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -65.1 | -39.7 | 173.1 | -80.6 | -70.5 | 0 | 0 | 0 | 112.7 | R766 A767 A768 D772 I774 | R766-Y770 HydrophobicContact CG-CD2 4.21Å; R766-Y770 HydrophobicContact CG-CE2 4Å; R766-Y770 VanDerWaalsContact O-CD2 3.25Å; R766-Y770 WeakPolarHBondContact O-CD2 3.24Å; R766-Y770 PolarHBondContact O-N 2.95Å; R766-Y770 VanDerWaalsContact O-N 3.16Å; A767-Y770 PolarHBondContact O-N 3.27Å; A768-Y770 PolarHBondContact O-N 3.02Å; Y770-D772 VanDerWaalsContact C-N 3.33Å; Y770-D772 PolarHBondContact O-N 2.72Å; Y770-I774 WeakPolarHBondContact O-CB 3.45Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 VanDerWaalsContact O-CG1 3.24Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 3.37Å; Y770-I774 VanDerWaalsContact O-N 3.09Å |
| 771 | R | 74.5 | Confident | 65.1 | Low | 179 Ų | 179 | 113 Ų | 113 | 68% | 0.675 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.5 | -37.2 | 175.3 | -79.2 | 178.3 | 170 | 179.6 | -1.7 | 112.6 | A767 A768 R775 | A767-R771 WeakPolarHBondContact O-CG 3.18Å; A767-R771 PolarHBondContact O-N 3.31Å; A768-R771 WeakPolarHBondContact O-CB 3.36Å; A768-R771 PolarHBondContact O-N 3.13Å; A768-R771 VanDerWaalsContact O-N 3.14Å; R771-R775 WeakPolarHBondContact O-CB 3.41Å; R771-R775 VanDerWaalsContact O-CG 3.27Å; R771-R775 WeakPolarHBondContact O-CG 3.18Å; R771-R775 PolarHBondContact O-N 2.89Å |
| 772 | D | 72.7 | Confident | 65.3 | Low | 79 Ų | 79 | 114.9 Ų | 114.9 | 42% | 0.422 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.7 | -38.3 | -179 | -125.4 | 35.5 | 0 | 0 | 0 | 112.4 | A768 F769 Y770 I774 R775 N776 | A768-D772 PolarHBondContact O-N 2.64Å; F769-D772 PolarHBondContact O-N 3.15Å; Y770-D772 VanDerWaalsContact C-N 3.33Å; Y770-D772 PolarHBondContact O-N 2.72Å; D772-I774 VanDerWaalsContact C-N 3.34Å; D772-I774 PolarHBondContact O-N 3.18Å; D772-R775 PolarHBondContact O-N 2.84Å; D772-N776 PolarHBondContact O-N 3.12Å |
| 773 | I | 71.7 | Confident | 64.6 | Low | 71 Ų | 71 | 114.3 Ų | 114.3 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.6 | -42.8 | 171.7 | -71.8 | 172.3 | 0 | 0 | 0 | 111.3 | F769 R775 N776 | F769-I773 HydrophobicContact CD1-CD1 3.86Å; F769-I773 HydrophobicContact CE1-CD1 3.45Å; F769-I773 VanDerWaalsContact CE1-CD1 3.45Å; F769-I773 HydrophobicContact CE2-CD1 4.16Å; F769-I773 HydrophobicContact CG-CD1 4.38Å; F769-I773 HydrophobicContact CZ-CD1 3.64Å; F769-I773 WeakPolarHBondContact O-CG1 3.09Å; F769-I773 PolarHBondContact O-N 2.97Å; F769-I773 VanDerWaalsContact O-N 3.08Å; I773-R775 VanDerWaalsContact C-N 3.32Å; I773-R775 PolarHBondContact O-N 2.69Å; I773-N776 CarbonylContact O-C 3.57Å |
| 774 | I | 73.5 | Confident | 63.4 | Low | 139 Ų | 139 | 117.9 Ų | 117.9 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.5 | -33.1 | 177.3 | -68.3 | 167 | 0 | 0 | 0 | 111.3 | Y770 D772 | Y770-I774 WeakPolarHBondContact O-CB 3.45Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 VanDerWaalsContact O-CG1 3.24Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 3.37Å; Y770-I774 VanDerWaalsContact O-N 3.09Å; D772-I774 VanDerWaalsContact C-N 3.34Å; D772-I774 PolarHBondContact O-N 3.18Å |
| 775 | R | 74.2 | Confident | 61.8 | Low | 189 Ų | 189 | 113.6 Ų | 113.6 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -82.3 | -27.5 | 179.1 | -77.3 | 175.1 | 169.4 | -175.4 | -4 | 114.6 | R771 D772 I773 | R771-R775 WeakPolarHBondContact O-CB 3.41Å; R771-R775 VanDerWaalsContact O-CG 3.27Å; R771-R775 WeakPolarHBondContact O-CG 3.18Å; R771-R775 PolarHBondContact O-N 2.89Å; D772-R775 PolarHBondContact O-N 2.84Å; I773-R775 VanDerWaalsContact C-N 3.32Å; I773-R775 PolarHBondContact O-N 2.69Å |
| 776 | N | 60.9 | Low | 60.5 | Low | 94 Ų | 94 | 118.6 Ų | 118.6 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | trans | -147.6 | 77.2 | -178.5 | -84.1 | -73.8 | 0 | 0 | 0 | 112.1 | D772 I773 F778 K779 | D772-N776 PolarHBondContact O-N 3.12Å; I773-N776 CarbonylContact O-C 3.57Å; N776-F778 PolarHBondContact O-N 3.18Å; N776-K779 HydrophobicContact CB-CB 4.27Å; N776-K779 PolarHBondContact O-N 2.92Å | ||
| 777 | P | 70.6 | Confident | 59.3 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 62% | 0.617 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -3.7 | -178.5 | 26.7 | -36 | 0 | 0 | 0 | 115 | ||
| 778 | F | 59 | Low | 57.3 | Low | 202 Ų | 202 | 123.7 Ų | 123.7 | 89% | 0.886 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.9 | 4.4 | -178.8 | -65.9 | -71.7 | 0 | 0 | 0 | 114.6 | N776 | N776-F778 PolarHBondContact O-N 3.18Š|
| 779 | K | 54.5 | Low | 55.6 | Low | 145 Ų | 145 | 126.2 Ų | 126.2 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | trans | -102 | 100.1 | -174.6 | -157.9 | 164.2 | -173 | 178.7 | 0 | 111.9 | N776 H781 | N776-K779 HydrophobicContact CB-CB 4.27Å; N776-K779 PolarHBondContact O-N 2.92Å; K779-H781 PolarHBondContact O-CD2 2.87Å; K779-H781 PolarHBondContact O-NE2 3.11Å | ||
| 780 | A | 46.6 | Very low | 54 | Low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | trans | -67.8 | 134.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 781 | H | 49 | Very low | 52 | Low | 114 Ų | 114 | 126.6 Ų | 126.6 | 53% | 0.528 | 71% | 0.709 | S | S | . | * | trans | -105.1 | 101.3 | 178 | -55.5 | -81.8 | 0 | 0 | 0 | 110.2 | K779 | K779-H781 PolarHBondContact O-CD2 2.87Å; K779-H781 PolarHBondContact O-NE2 3.11Å | ||
| 782 | S | 45.1 | Very low | 49.9 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 88% | 0.881 | 71% | 0.712 | S | S | * | * | trans | -82.7 | 137.3 | 167.3 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 783 | G | 40.4 | Very low | 47.9 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | trans | -126.4 | 120 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 784 | D | 40.2 | Very low | 46.1 | Very low | 179 Ų | 179 | 131 Ų | 131 | 96% | 0.957 | 75% | 0.751 | S | S | * | * | trans | -165.7 | 157.8 | 161.3 | -91.2 | -43 | 0 | 0 | 0 | 104.3 | ||||
| 785 | G | 37.4 | Very low | 44 | Very low | 61 Ų | 61 | 132 Ų | 132 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | 179.9 | 158.8 | -1.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 786 | D | 38.9 | Very low | 42.2 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -65.5 | 142.2 | -167.4 | -52.8 | -101.8 | 0 | 0 | 0 | 115.6 | ||||
| 787 | V | 44.5 | Very low | 40.7 | Very low | 147 Ų | 147 | 131.6 Ų | 131.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -163.9 | 139.7 | 137.3 | -96.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 788 | D | 33.8 | Very low | 39 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -70.9 | 149.2 | 170.2 | -71.2 | -71.2 | 0 | 0 | 0 | 112.8 | ||||
| 789 | S | 36 | Very low | 37.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 155 | 123 | 121.7 | -71.2 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 790 | S | 35.8 | Very low | 37 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 55.3 | 100.9 | 130.3 | -53 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 791 | N | 32.4 | Very low | 36.6 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | 85.8 | 121.8 | 113.3 | -151.3 | 57.5 | 0 | 0 | 0 | 121 | |||||
| 792 | E | 30.5 | Very low | 36.2 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 55.8 | 110.8 | 146.5 | -73.1 | 176.6 | 145.4 | 0 | 0 | 122.7 | ||||
| 793 | N | 30.5 | Very low | 36.2 | Very low | 143 Ų | 143 | 131.6 Ų | 131.6 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | 56.6 | 99.3 | 117.9 | -176 | 39.5 | 0 | 0 | 0 | 119.1 | |||||
| 794 | S | 35 | Very low | 36.2 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -157.5 | 133.7 | 133 | -87.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 795 | N | 29.7 | Very low | 36.3 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -90.3 | 126.6 | 172.4 | -148.7 | 11.2 | 0 | 0 | 0 | 108.2 | ||||
| 796 | S | 34.8 | Very low | 36.4 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | trans | -159.1 | 150.8 | 171.5 | -86.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 797 | N | 29.3 | Very low | 36.8 | Very low | 154 Ų | 154 | 131.2 Ų | 131.2 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 125.8 | -168.5 | 167.7 | 41.7 | 0 | 0 | 0 | 110.8 | ||||
| 798 | S | 36.1 | Very low | 36.6 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 178.2 | 160.2 | 171.6 | 41.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 799 | H | 33.5 | Very low | 37 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | cis | -168.1 | 160 | -37.4 | -150.4 | -95.9 | 0 | 0 | 0 | 109.4 | ||||
| 800 | S | 36.9 | Very low | 36.9 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 67.7 | 159.8 | 165.9 | 76.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 801 | L | 39.1 | Very low | 37 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 77% | 0.768 | S | S | * | * | cis | -124.8 | 169.9 | 12.6 | -76.9 | 162.5 | 0 | 0 | 0 | 113.6 | ||||
| 802 | T | 40.1 | Very low | 37.3 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -102.8 | 171.5 | -174.6 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 803 | P | 44.5 | Very low | 37.7 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | -144.4 | 144.1 | 83.3 | 33.3 | -13.6 | 0 | 0 | 0 | 117.8 | |||||
| 804 | T | 41.5 | Very low | 38.3 | Very low | 115 Ų | 115 | 127.7 Ų | 127.7 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 8.9 | 145.7 | 142.1 | 38.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 805 | P | 41.5 | Very low | 38.5 | Very low | 127 Ų | 127 | 131.3 Ų | 131.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | -140.7 | 175.3 | 52.9 | 40.9 | -23.1 | 0 | 0 | 0 | 119.5 | |||||
| 806 | T | 40.9 | Very low | 39.1 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | -148.9 | 178.8 | -172 | 25.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 807 | P | 46.1 | Very low | 39.2 | Very low | 105 Ų | 105 | 129.7 Ų | 129.7 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | cis | -143.6 | -163.9 | -34.4 | 38.8 | -18.5 | 0 | 0 | 0 | 114.5 | ||||
| 808 | E | 41.6 | Very low | 39.8 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | trans | 78.8 | 166.4 | 143.6 | -78.5 | -143.7 | 134.4 | 0 | 0 | 120.7 | ||||
| 809 | P | 41.2 | Very low | 40.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | -142.9 | -178.8 | -81.9 | 38.5 | -15.4 | 0 | 0 | 0 | 117.2 | |||||
| 810 | G | 34.7 | Very low | 40.4 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | 95.3 | 169.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 811 | S | 36.1 | Very low | 40.5 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 74% | 0.744 | S | S | * | * | cis | -165.8 | 164.7 | -14.5 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 812 | Q | 39.6 | Very low | 40.7 | Very low | 186 Ų | 186 | 129 Ų | 129 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | trans | 80.8 | 143.4 | 161.5 | -61.8 | 170.2 | 55.9 | 0 | 0 | 120.5 | ||||
| 813 | S | 38.7 | Very low | 41 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 74% | 0.738 | S | S | * | * | trans | -95.1 | -165.9 | 174.3 | -27 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 814 | P | 42.6 | Very low | 41.3 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | cis | -142.6 | -174.7 | 14.1 | 42.7 | -20.9 | 0 | 0 | 0 | 118.6 | ||||
| 815 | K | 40.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 131.4 Ų | 131.4 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | trans | -28.7 | 169.1 | 150.4 | -86.2 | -171.1 | 173.6 | -166.6 | 0 | 117.2 | ||||
| 816 | P | 41.3 | Very low | 41.2 | Very low | 86 Ų | 86 | 132.1 Ų | 132.1 | 56% | 0.558 | 73% | 0.73 | S | S | * | * | cis | -150.3 | -169.2 | 33.1 | 44.4 | -23.6 | 0 | 0 | 0 | 119.3 | ||||
| 817 | E | 37.7 | Very low | 41.3 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.752 | 73% | 0.728 | S | S | * | * | trans | 68.9 | 148.6 | 146.4 | -81.5 | 133.9 | -127.4 | 0 | 0 | 120 | ||||
| 818 | D | 40.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | -175.2 | 171.2 | -17.7 | -117.8 | 23 | 0 | 0 | 0 | 109 | ||||
| 819 | H | 42.8 | Very low | 40.9 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 60% | 0.602 | 73% | 0.732 | S | S | * | * | cis | -161.8 | -165.7 | -10.4 | -158.5 | -111.7 | 0 | 0 | 0 | 109.6 | ||||
| 820 | D | 40.2 | Very low | 40.8 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 68% | 0.679 | 73% | 0.729 | S | S | * | * | trans | 75.4 | 147.8 | 152.3 | -65.4 | -36.7 | 0 | 0 | 0 | 123.4 | ||||
| 821 | Q | 40.1 | Very low | 41.2 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 64% | 0.64 | 73% | 0.732 | S | S | * | * | cis | -165.9 | -175.6 | -43.5 | -123.6 | -173.5 | 109.3 | 0 | 0 | 112 | ||||
| 822 | D | 42.3 | Very low | 41.4 | Very low | 142 Ų | 142 | 133 Ų | 133 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | 76.7 | 140.6 | 171.3 | -65 | -38.4 | 0 | 0 | 0 | 120.5 | ||||
| 823 | M | 46.1 | Very low | 41.3 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | cis | 164.2 | 170.8 | -32.4 | -91.3 | -92.7 | -74.2 | 0 | 0 | 108 | ||||
| 824 | P | 50.7 | Low | 41.6 | Very low | 89 Ų | 89 | 132.4 Ų | 132.4 | 58% | 0.578 | 74% | 0.738 | S | S | * | * | cis | -142 | -166.2 | -41.4 | 42.3 | -24.1 | 0 | 0 | 0 | 116.3 | ||||
| 825 | E | 39.8 | Very low | 41.6 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 73% | 0.734 | S | S | * | * | trans | 77.8 | 119.6 | 161.7 | -65.1 | -172.6 | 108.5 | 0 | 0 | 119.7 | ||||
| 826 | L | 41 | Very low | 41.5 | Very low | 142 Ų | 142 | 129.2 Ų | 129.2 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | cis | 89.2 | 163.3 | 33.1 | -62.7 | 176.9 | 0 | 0 | 0 | 114.1 | V828 | L826-V828 HydrophobicContact CD2-CG2 4.28Š| ||
| 827 | P | 44.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | cis | -121.8 | 147.8 | 2.7 | 6.3 | 21.2 | 0 | 0 | 0 | 116.7 | ||||
| 828 | V | 37.7 | Very low | 41.5 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | 72.1 | 126.2 | 90.5 | -179.6 | 0 | 0 | 0 | 0 | 113.2 | L826 | L826-V828 HydrophobicContact CD2-CG2 4.28Š| |||
| 829 | I | 40.4 | Very low | 41.5 | Very low | 164 Ų | 164 | 127.7 Ų | 127.7 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | -162 | 161.4 | 67.6 | -62 | 164.6 | 0 | 0 | 0 | 107.5 | |||||
| 830 | A | 38.9 | Very low | 41 | Very low | 85 Ų | 85 | 129.5 Ų | 129.5 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | cis | -173.5 | 166.1 | -37.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 831 | P | 44.1 | Very low | 40.7 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 84% | 0.844 | 77% | 0.766 | S | S | * | * | trans | -118.6 | 167.5 | -161.1 | 41.7 | -33.3 | 0 | 0 | 0 | 117.9 | ||||
| 832 | A | 39.2 | Very low | 40.9 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -154.6 | 118.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 833 | L | 38.1 | Very low | 40.6 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | 10.7 | 146.2 | 155.9 | -66.4 | 160.5 | 0 | 0 | 0 | 123.9 | ||||
| 834 | P | 45.4 | Very low | 40.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | trans | -97.8 | 168.1 | 179.9 | 40.4 | -37.1 | 0 | 0 | 0 | 115.2 | ||||
| 835 | P | 43.1 | Very low | 40.4 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -140 | 156.5 | 140.9 | 38.3 | -25.2 | 0 | 0 | 0 | 116 | ||||
| 836 | T | 37.5 | Very low | 41.1 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | trans | 65.1 | 131.4 | 157.7 | 49.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 837 | T | 37.8 | Very low | 41.4 | Very low | 135 Ų | 135 | 138 Ų | 138 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -73.4 | 161.1 | 171.5 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 838 | P | 42.3 | Very low | 41.9 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | -117.4 | 162 | 119 | 34.5 | -34.1 | 0 | 0 | 0 | 114 | |||||
| 839 | S | 38.8 | Very low | 42 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | -40.4 | 137.8 | 178 | 47.7 | 0 | 0 | 0 | 0 | 115.3 | Y841 | S839-Y841 PolarHBondContact O-N 3.34Š| ||
| 840 | L | 32.2 | Very low | 43.2 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 89% | 0.885 | 72% | 0.722 | S | S | * | * | S | Bend | 52.6 | 42.3 | 64 | -61.6 | -178.8 | 0 | 0 | 0 | 114.9 | |||
| 841 | Y | 35.2 | Very low | 44.3 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | -175.3 | 90.2 | 139.6 | -119.3 | -90.9 | 0 | 0 | 0 | 110.5 | S839 | S839-Y841 PolarHBondContact O-N 3.34Š| ||
| 842 | V | 43.5 | Very low | 45.3 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | -130.3 | 99.1 | 161.9 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | R844 | V842-R844 PolarHBondContact O-N 3Š| ||
| 843 | R | 36.8 | Very low | 46.4 | Very low | 213 Ų | 213 | 131.5 Ų | 131.5 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 131.6 | 161.3 | -80.5 | -174.4 | 175.6 | 177.1 | -1.7 | 106.8 | S845 | R843-S845 PolarHBondContact O-N 3.39Š|
| 844 | R | 48.6 | Very low | 47.3 | Very low | 145 Ų | 145 | 128.8 Ų | 128.8 | 55% | 0.547 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 125.7 | 161.6 | -161.7 | 131.9 | -167.4 | -157.6 | -9.7 | 106.8 | V842 D848 D850 | V842-R844 PolarHBondContact O-N 3Å; R844-D848 WeakPolarHBondContact CD-OD2 3.44Å; R844-D848 HydrophobicContact CG-CB 4.06Å; R844-D848 WeakPolarHBondContact CG-OD2 3.29Å; R844-D848 IonicContact CZ-OD2 3.86Å; R844-D848 IonicContact NE-OD2 2.7Å; R844-D848 PolarHBondContact NE-OD2 2.93Å; R844-D848 IonicContact NH2-OD2 2.67Å; R844-D848 PolarHBondContact NH2-OD2 2.93Å; R844-D850 IonicContact CZ-OD2 3.41Å; R844-D850 IonicContact NH1-OD2 2.67Å; R844-D850 PolarHBondContact NH1-OD2 2.89Å; R844-D850 IonicContact NH2-OD2 3.4Å; R844-D850 PolarHBondContact NH2-OD2 2.83Å |
| 845 | S | 43.2 | Very low | 47.9 | Very low | 65 Ų | 65 | 130.3 Ų | 130.3 | 46% | 0.455 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 151.4 | -171.1 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | R843 Y847 D848 | R843-S845 PolarHBondContact O-N 3.39Å; S845-Y847 PolarHBondContact O-N 3.44Å; S845-Y847 PolarHBondContact OG-N 3.04Å; S845-D848 PolarHBondContact O-N 2.76Å |
| 846 | M | 55 | Low | 48.6 | Very low | 166 Ų | 166 | 131.4 Ų | 131.4 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -12.5 | 167.1 | -87.1 | -66.3 | -57.7 | 0 | 0 | 113.3 | ||
| 847 | Y | 47 | Very low | 49.2 | Very low | 202 Ų | 202 | 130.5 Ų | 130.5 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 4.5 | -179.6 | -56 | -71.1 | 0 | 0 | 0 | 113.7 | S845 F849 | S845-Y847 PolarHBondContact O-N 3.44Å; S845-Y847 PolarHBondContact OG-N 3.04Å; Y847-F849 VanDerWaalsContact C-N 3.29Å; Y847-F849 PolarHBondContact O-N 3.03Å; Y847-F849 VanDerWaalsContact O-N 3.14Å |
| 848 | D | 55.2 | Low | 50.1 | Low | 82 Ų | 82 | 125.7 Ų | 125.7 | 44% | 0.439 | 62% | 0.624 | S | S | . | * | trans | -91.2 | 61.3 | -176.3 | -162.4 | 33.9 | 0 | 0 | 0 | 111.4 | R844 S845 D850 | R844-D848 WeakPolarHBondContact CD-OD2 3.44Å; R844-D848 HydrophobicContact CG-CB 4.06Å; R844-D848 WeakPolarHBondContact CG-OD2 3.29Å; R844-D848 IonicContact CZ-OD2 3.86Å; R844-D848 IonicContact NE-OD2 2.7Å; R844-D848 PolarHBondContact NE-OD2 2.93Å; R844-D848 IonicContact NH2-OD2 2.67Å; R844-D848 PolarHBondContact NH2-OD2 2.93Å; S845-D848 PolarHBondContact O-N 2.76Å; D848-D850 PolarHBondContact O-N 3.18Å | ||
| 849 | F | 39.6 | Very low | 51.1 | Low | 145 Ų | 145 | 129 Ų | 129 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -62.3 | 123.1 | -179.8 | -92.5 | -96.6 | 0 | 0 | 0 | 111.5 | Y847 P851 E854 | Y847-F849 VanDerWaalsContact C-N 3.29Å; Y847-F849 PolarHBondContact O-N 3.03Å; Y847-F849 VanDerWaalsContact O-N 3.14Å; F849-P851 WeakPolarHBondContact O-CD 3.3Å; F849-E854 WeakPolarHBondContact CD1-OE2 3.35Å; F849-E854 WeakPolarHBondContact CE1-OE1 3.35Å | ||
| 850 | D | 64.8 | Low | 51.9 | Low | 53 Ų | 53 | 131 Ų | 131 | 28% | 0.283 | 62% | 0.62 | S | S | . | * | trans | -119 | 80.7 | -178 | -161.7 | -20.3 | 0 | 0 | 0 | 107.2 | R844 D848 V852 K853 | R844-D850 IonicContact CZ-OD2 3.41Å; R844-D850 IonicContact NH1-OD2 2.67Å; R844-D850 PolarHBondContact NH1-OD2 2.89Å; R844-D850 IonicContact NH2-OD2 3.4Å; R844-D850 PolarHBondContact NH2-OD2 2.83Å; D848-D850 PolarHBondContact O-N 3.18Å; D850-V852 PolarHBondContact O-N 2.68Å; D850-K853 HydrophobicContact CB-CD 4.32Å; D850-K853 HydrophobicContact CB-CG 4.28Å; D850-K853 WeakPolarHBondContact O-CB 3.38Å; D850-K853 PolarHBondContact O-N 3.36Å; D850-K853 WeakPolarHBondContact OD2-CE 3.39Å | ||
| 851 | P | 62.6 | Low | 53 | Low | 90 Ų | 90 | 128.5 Ų | 128.5 | 58% | 0.584 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.5 | -18.4 | -159.3 | 24.4 | -35.4 | 0 | 0 | 0 | 114.2 | F849 K853 Q855 | F849-P851 WeakPolarHBondContact O-CD 3.3Å; P851-K853 VanDerWaalsContact C-N 3.29Å; P851-Q855 PolarHBondContact O-N 3.11Å |
| 852 | V | 65.7 | Low | 54.1 | Low | 90 Ų | 90 | 123.6 Ų | 123.6 | 55% | 0.545 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.4 | -36.4 | 171.8 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | D850 Q855 E856 | D850-V852 PolarHBondContact O-N 2.68Å; V852-Q855 PolarHBondContact O-N 3.06Å; V852-E856 PolarHBondContact O-N 3.36Å; V852-E856 VanDerWaalsContact O-N 3.09Å |
| 853 | K | 61.8 | Low | 55 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -76.4 | -34.2 | -177.8 | -59.6 | -165.1 | 178.3 | -156.3 | 0 | 113 | D850 P851 Q855 E856 H857 | D850-K853 HydrophobicContact CB-CD 4.32Å; D850-K853 HydrophobicContact CB-CG 4.28Å; D850-K853 WeakPolarHBondContact O-CB 3.38Å; D850-K853 PolarHBondContact O-N 3.36Å; D850-K853 WeakPolarHBondContact OD2-CE 3.39Å; P851-K853 VanDerWaalsContact C-N 3.29Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-E856 PolarHBondContact O-N 2.91Å; K853-H857 WeakPolarHBondContact O-CB 3.36Å; K853-H857 PolarHBondContact O-N 3.32Å |
| 854 | E | 56.6 | Low | 56.1 | Low | 114 Ų | 114 | 115.4 Ų | 115.4 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.6 | -38.1 | 169.2 | -80.8 | 179.9 | 130.9 | 0 | 0 | 111.2 | F849 H857 G858 | F849-E854 WeakPolarHBondContact CD1-OE2 3.35Å; F849-E854 WeakPolarHBondContact CE1-OE1 3.35Å; E854-H857 PolarHBondContact O-N 2.84Å; E854-G858 PolarHBondContact O-N 3.4Å |
| 855 | Q | 58.2 | Low | 56.7 | Low | 148 Ų | 148 | 114.2 Ų | 114.2 | 69% | 0.692 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69.2 | -31.9 | 177.2 | -168.8 | 169.7 | 48.2 | 0 | 0 | 113.2 | P851 V852 K853 R859 | P851-Q855 PolarHBondContact O-N 3.11Å; V852-Q855 PolarHBondContact O-N 3.06Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; Q855-R859 PolarHBondContact O-N 2.93Å |
| 856 | E | 57.6 | Low | 57.7 | Low | 132 Ų | 132 | 116.2 Ų | 116.2 | 62% | 0.617 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -74.1 | -44.8 | 170.9 | -70.3 | -175.7 | 141.6 | 0 | 0 | 112 | V852 K853 R859 Q860 | V852-E856 PolarHBondContact O-N 3.36Å; V852-E856 VanDerWaalsContact O-N 3.09Å; K853-E856 PolarHBondContact O-N 2.91Å; E856-R859 WeakPolarHBondContact O-CB 3.44Å; E856-R859 PolarHBondContact O-N 3.34Å; E856-Q860 PolarHBondContact O-N 2.92Å |
| 857 | H | 51.4 | Low | 58.1 | Low | 119 Ų | 119 | 115.9 Ų | 115.9 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.4 | -47.4 | 178.7 | -123.5 | -86.2 | 0 | 0 | 0 | 111.9 | K853 E854 R859 Q860 E861 | K853-H857 WeakPolarHBondContact O-CB 3.36Å; K853-H857 PolarHBondContact O-N 3.32Å; E854-H857 PolarHBondContact O-N 2.84Å; H857-R859 VanDerWaalsContact C-N 3.26Å; H857-R859 PolarHBondContact O-N 3.45Å; H857-Q860 CarbonylContact O-C 3.54Å; H857-Q860 WeakPolarHBondContact O-CA 3.3Å; H857-Q860 PolarHBondContact O-N 3.48Å; H857-E861 PolarHBondContact O-N 3.5Å |
| 858 | G | 56.4 | Low | 58.8 | Low | 34 Ų | 34 | 110.5 Ų | 110.5 | 35% | 0.351 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.4 | -29.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E854 L862 | E854-G858 PolarHBondContact O-N 3.4Å; G858-L862 VanDerWaalsContact O-CB 3.3Å; G858-L862 WeakPolarHBondContact O-CB 3.38Å; G858-L862 PolarHBondContact O-N 3.23Å |
| 859 | R | 63 | Low | 59 | Low | 192 Ų | 192 | 112.5 Ų | 112.5 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.8 | -36.1 | 169.2 | -104.9 | -179.4 | 159.6 | 172.1 | -5.2 | 112.6 | Q855 E856 H857 L863 | Q855-R859 PolarHBondContact O-N 2.93Å; E856-R859 WeakPolarHBondContact O-CB 3.44Å; E856-R859 PolarHBondContact O-N 3.34Å; H857-R859 VanDerWaalsContact C-N 3.26Å; H857-R859 PolarHBondContact O-N 3.45Å; R859-L863 WeakPolarHBondContact O-CB 3.44Å; R859-L863 WeakPolarHBondContact O-CG 3.33Å; R859-L863 PolarHBondContact O-N 3.18Å |
| 860 | Q | 55.1 | Low | 59.9 | Low | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -80.1 | -31.8 | -178.6 | -159.9 | 160.2 | 37.8 | 0 | 0 | 112.1 | E856 H857 T864 | E856-Q860 PolarHBondContact O-N 2.92Å; H857-Q860 CarbonylContact O-C 3.54Å; H857-Q860 WeakPolarHBondContact O-CA 3.3Å; H857-Q860 PolarHBondContact O-N 3.48Å; Q860-T864 WeakPolarHBondContact O-CB 3.1Å; Q860-T864 PolarHBondContact O-N 2.83Å; Q860-T864 PolarHBondContact O-OG1 3.49Å |
| 861 | E | 55.1 | Low | 59.5 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -52.1 | 167.2 | -75.5 | 178.7 | 131.8 | 0 | 0 | 110.7 | H857 L863 T864 E865 | H857-E861 PolarHBondContact O-N 3.5Å; E861-L863 VanDerWaalsContact C-N 3.33Å; E861-L863 PolarHBondContact O-N 3.23Å; E861-T864 CarbonylContact O-C 3.5Å; E861-T864 WeakPolarHBondContact O-CA 3.44Å; E861-T864 WeakPolarHBondContact O-CB 3.24Å; E861-T864 PolarHBondContact O-N 3Å; E861-E865 WeakPolarHBondContact O-CG 3.49Å; E861-E865 PolarHBondContact O-N 3.31Å |
| 862 | L | 58.9 | Low | 59.1 | Low | 104 Ų | 104 | 118.9 Ų | 118.9 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -59.1 | -40.6 | -179 | -165.9 | 155.1 | 0 | 0 | 0 | 112.6 | G858 T864 E865 E866 | G858-L862 VanDerWaalsContact O-CB 3.3Å; G858-L862 WeakPolarHBondContact O-CB 3.38Å; G858-L862 PolarHBondContact O-N 3.23Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.3Å; L862-E865 PolarHBondContact O-N 3Å; L862-E866 WeakPolarHBondContact O-CB 3.34Å; L862-E866 PolarHBondContact O-N 2.87Å |
| 863 | L | 61.7 | Low | 58.5 | Low | 107 Ų | 107 | 121 Ų | 121 | 56% | 0.56 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.6 | -18.5 | 173.1 | -73.2 | 171.2 | 0 | 0 | 0 | 114.1 | R859 E861 | R859-L863 WeakPolarHBondContact O-CB 3.44Å; R859-L863 WeakPolarHBondContact O-CG 3.33Å; R859-L863 PolarHBondContact O-N 3.18Å; E861-L863 VanDerWaalsContact C-N 3.33Å; E861-L863 PolarHBondContact O-N 3.23Å |
| 864 | T | 61.1 | Low | 58.1 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 44% | 0.436 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -85.9 | -41.7 | 173.1 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | Q860 E861 L862 K867 E868 | Q860-T864 WeakPolarHBondContact O-CB 3.1Å; Q860-T864 PolarHBondContact O-N 2.83Å; Q860-T864 PolarHBondContact O-OG1 3.49Å; E861-T864 CarbonylContact O-C 3.5Å; E861-T864 WeakPolarHBondContact O-CA 3.44Å; E861-T864 WeakPolarHBondContact O-CB 3.24Å; E861-T864 PolarHBondContact O-N 3Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.3Å; T864-K867 PolarHBondContact O-N 3.26Å; T864-E868 WeakPolarHBondContact O-CG 2.94Å; T864-E868 PolarHBondContact O-N 3.27Å |
| 865 | E | 59.7 | Low | 57.8 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.2 | -45.8 | 173.4 | -68.9 | -179.6 | 137 | 0 | 0 | 111.6 | E861 L862 K867 E868 Q869 | E861-E865 WeakPolarHBondContact O-CG 3.49Å; E861-E865 PolarHBondContact O-N 3.31Å; L862-E865 PolarHBondContact O-N 3Å; E865-K867 VanDerWaalsContact C-N 3.31Å; E865-K867 PolarHBondContact O-N 2.77Å; E865-E868 PolarHBondContact O-N 2.87Å; E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 2.81Å |
| 866 | E | 65 | Low | 57.6 | Low | 108 Ų | 108 | 120.4 Ų | 120.4 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.9 | -38.5 | 177.9 | -160.5 | 178.1 | -177.2 | 0 | 0 | 111.8 | L862 Q869 Y870 | L862-E866 WeakPolarHBondContact O-CB 3.34Å; L862-E866 PolarHBondContact O-N 2.87Å; E866-Q869 PolarHBondContact O-N 3.41Å; E866-Y870 PolarHBondContact O-N 2.7Å; E866-Y870 VanDerWaalsContact O-N 3.17Å |
| 867 | K | 64 | Low | 57.6 | Low | 158 Ų | 158 | 123.1 Ų | 123.1 | 69% | 0.687 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68 | -46.1 | 172.4 | -97 | -175.4 | 171 | -176.6 | 0 | 112.9 | T864 E865 Q869 Y870 Q871 | T864-K867 PolarHBondContact O-N 3.26Å; E865-K867 VanDerWaalsContact C-N 3.31Å; E865-K867 PolarHBondContact O-N 2.77Å; K867-Q869 PolarHBondContact O-N 2.67Å; K867-Y870 PolarHBondContact O-N 2.95Å; K867-Q871 WeakPolarHBondContact O-CB 3.44Å; K867-Q871 PolarHBondContact O-N 3.49Å |
| 868 | E | 62.3 | Low | 58 | Low | 90 Ų | 90 | 123 Ų | 123 | 42% | 0.421 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -31.1 | 176.5 | -73.3 | -167 | 167.5 | 0 | 0 | 111.7 | T864 E865 Q871 R872 | T864-E868 WeakPolarHBondContact O-CG 2.94Å; T864-E868 PolarHBondContact O-N 3.27Å; E865-E868 PolarHBondContact O-N 2.87Å; E868-Q871 PolarHBondContact O-N 2.92Å; E868-R872 WeakPolarHBondContact O-CB 3.48Å; E868-R872 WeakPolarHBondContact O-CD 2.96Å; E868-R872 WeakPolarHBondContact O-CG 3.36Å; E868-R872 PolarHBondContact O-N 3.21Å; E868-R872 IonicContact OE2-CZ 2.64Å; E868-R872 IonicContact OE2-NH1 2.68Å; E868-R872 IonicContact OE2-NH2 3.78Å; E868-R872 PolarHBondContact OE2-NH2 3.11Å |
| 869 | Q | 59.4 | Low | 57.8 | Low | 123 Ų | 123 | 125.1 Ų | 125.1 | 58% | 0.575 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -45.7 | 176.5 | -166.5 | 158.1 | -17.2 | 0 | 0 | 111.6 | E865 E866 K867 Q871 R872 D873 | E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 2.81Å; E866-Q869 PolarHBondContact O-N 3.41Å; K867-Q869 PolarHBondContact O-N 2.67Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.05Å; Q869-R872 WeakPolarHBondContact O-CB 3.27Å; Q869-R872 PolarHBondContact O-N 3.09Å; Q869-D873 PolarHBondContact O-N 3.3Å; Q869-D873 VanDerWaalsContact O-N 3.15Å |
| 870 | Y | 58 | Low | 56.9 | Low | 176 Ų | 176 | 123.9 Ų | 123.9 | 69% | 0.69 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.7 | -37.2 | 168.8 | -96.8 | -88 | 0 | 0 | 0 | 113 | E866 K867 R872 D873 T874 | E866-Y870 PolarHBondContact O-N 2.7Å; E866-Y870 VanDerWaalsContact O-N 3.17Å; K867-Y870 PolarHBondContact O-N 2.95Å; Y870-R872 VanDerWaalsContact C-N 3.34Å; Y870-D873 PolarHBondContact O-N 2.82Å; Y870-T874 PolarHBondContact O-N 3.47Å; Y870-T874 PolarHBondContact O-OG1 3.25Å |
| 871 | Q | 56.8 | Low | 57 | Low | 141 Ų | 141 | 125.6 Ų | 125.6 | 66% | 0.659 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -67 | -35.4 | 176.8 | -150.1 | 83.4 | 63.9 | 0 | 0 | 111.9 | K867 E868 Q869 T874 D875 | K867-Q871 WeakPolarHBondContact O-CB 3.44Å; K867-Q871 PolarHBondContact O-N 3.49Å; E868-Q871 PolarHBondContact O-N 2.92Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.05Å; Q871-T874 PolarHBondContact O-N 3.18Å; Q871-D875 PolarHBondContact O-N 3.36Å |
| 872 | R | 53.2 | Low | 57 | Low | 106 Ų | 106 | 125.7 Ų | 125.7 | 40% | 0.4 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69 | -33.3 | 176.7 | -77.3 | 161.5 | -172.9 | 136.3 | 1.1 | 113.1 | E868 Q869 Y870 T874 P879 | E868-R872 WeakPolarHBondContact O-CB 3.48Å; E868-R872 WeakPolarHBondContact O-CD 2.96Å; E868-R872 WeakPolarHBondContact O-CG 3.36Å; E868-R872 PolarHBondContact O-N 3.21Å; E868-R872 IonicContact OE2-CZ 2.64Å; E868-R872 IonicContact OE2-NH1 2.68Å; E868-R872 IonicContact OE2-NH2 3.78Å; E868-R872 PolarHBondContact OE2-NH2 3.11Å; Q869-R872 WeakPolarHBondContact O-CB 3.27Å; Q869-R872 PolarHBondContact O-N 3.09Å; Y870-R872 VanDerWaalsContact C-N 3.34Å; R872-T874 PolarHBondContact O-N 3.31Å; R872-P879 HydrophobicContact CB-CG 4.13Å; R872-P879 HydrophobicContact CG-CB 4.33Å; R872-P879 HydrophobicContact CG-CG 4.33Å |
| 873 | D | 52.3 | Low | 56.7 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76 | -11.6 | 173.3 | -73.2 | -18.4 | 0 | 0 | 0 | 112.9 | Q869 Y870 | Q869-D873 PolarHBondContact O-N 3.3Å; Q869-D873 VanDerWaalsContact O-N 3.15Å; Y870-D873 PolarHBondContact O-N 2.82Å |
| 874 | T | 54.8 | Low | 56.7 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -97.2 | -20.4 | -179.3 | -50.1 | 0 | 0 | 0 | 0 | 113.4 | Y870 Q871 R872 | Y870-T874 PolarHBondContact O-N 3.47Å; Y870-T874 PolarHBondContact O-OG1 3.25Å; Q871-T874 PolarHBondContact O-N 3.18Å; R872-T874 PolarHBondContact O-N 3.31Å |
| 875 | D | 51 | Low | 56.4 | Low | 69 Ų | 69 | 136 Ų | 136 | 37% | 0.369 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -96.9 | 125.1 | 168.6 | -172.3 | 2.1 | 0 | 0 | 0 | 110.2 | Q871 R877 | Q871-D875 PolarHBondContact O-N 3.36Å; D875-R877 PolarHBondContact O-N 2.7Å; D875-R877 IonicContact OD1-CZ 2.65Å; D875-R877 PolarHBondContact OD1-N 3.14Å; D875-R877 IonicContact OD1-NH1 3.58Å; D875-R877 PolarHBondContact OD1-NH1 2.79Å; D875-R877 WeakPolarHBondContact OD2-CD 3.45Å; D875-R877 IonicContact OD2-CZ 2.85Å; D875-R877 IonicContact OD2-NE 3.42Å; D875-R877 IonicContact OD2-NH1 2.71Å; D875-R877 PolarHBondContact OD2-NH1 3.27Å |
| 876 | M | 52.6 | Low | 56.3 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 90% | 0.897 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -64.3 | 5.9 | 176.8 | -68.1 | -71.2 | -74 | 0 | 0 | 114 | L878 | M876-L878 VanDerWaalsContact C-N 3.32Å; M876-L878 PolarHBondContact O-N 3.44Å |
| 877 | R | 58.5 | Low | 56.3 | Low | 189 Ų | 189 | 141.6 Ų | 141.6 | 71% | 0.713 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -84.8 | 71.8 | 167.1 | -63.7 | -179.2 | -173 | 78 | 8.2 | 110.7 | D875 | D875-R877 PolarHBondContact O-N 2.7Å; D875-R877 IonicContact OD1-CZ 2.65Å; D875-R877 PolarHBondContact OD1-N 3.14Å; D875-R877 IonicContact OD1-NH1 3.58Å; D875-R877 PolarHBondContact OD1-NH1 2.79Å; D875-R877 WeakPolarHBondContact OD2-CD 3.45Å; D875-R877 IonicContact OD2-CZ 2.85Å; D875-R877 IonicContact OD2-NE 3.42Å; D875-R877 IonicContact OD2-NH1 2.71Å; D875-R877 PolarHBondContact OD2-NH1 3.27Å |
| 878 | L | 59 | Low | 56.2 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 61% | 0.607 | 67% | 0.669 | S | S | * | * | trans | -35.6 | 121.3 | 175.3 | -69.9 | 160.1 | 0 | 0 | 0 | 112.1 | M876 F880 | M876-L878 VanDerWaalsContact C-N 3.32Å; M876-L878 PolarHBondContact O-N 3.44Å; L878-F880 HydrophobicContact CB-CD2 3.78Å; L878-F880 HydrophobicContact CB-CE2 3.55Å; L878-F880 HydrophobicContact CB-CG 4.45Å; L878-F880 HydrophobicContact CB-CZ 4.03Å; L878-F880 HydrophobicContact CD1-CE2 3.59Å; L878-F880 HydrophobicContact CD1-CZ 3.86Å; L878-F880 HydrophobicContact CG-CE2 4.13Å; L878-F880 HydrophobicContact CG-CZ 4.36Å; L878-F880 PolarHBondContact O-N 2.98Å | ||
| 879 | P | 51.5 | Low | 55.9 | Low | 80 Ų | 80 | 139 Ų | 139 | 52% | 0.519 | 68% | 0.682 | S | S | . | * | trans | -78.8 | 57.9 | -175.5 | 35.9 | -40.1 | 0 | 0 | 0 | 111.2 | R872 E881 | R872-P879 HydrophobicContact CB-CG 4.13Å; R872-P879 HydrophobicContact CG-CB 4.33Å; R872-P879 HydrophobicContact CG-CG 4.33Å; P879-E881 VanDerWaalsContact C-N 3.34Å; P879-E881 PolarHBondContact O-N 2.71Å | ||
| 880 | F | 44.5 | Very low | 55.9 | Low | 165 Ų | 165 | 136.5 Ų | 136.5 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | trans | -68.1 | 94.5 | 169.5 | -62.9 | -54.3 | 0 | 0 | 0 | 109.3 | L878 | L878-F880 HydrophobicContact CB-CD2 3.78Å; L878-F880 HydrophobicContact CB-CE2 3.55Å; L878-F880 HydrophobicContact CB-CG 4.45Å; L878-F880 HydrophobicContact CB-CZ 4.03Å; L878-F880 HydrophobicContact CD1-CE2 3.59Å; L878-F880 HydrophobicContact CD1-CZ 3.86Å; L878-F880 HydrophobicContact CG-CE2 4.13Å; L878-F880 HydrophobicContact CG-CZ 4.36Å; L878-F880 PolarHBondContact O-N 2.98Å | ||
| 881 | E | 58.2 | Low | 56.1 | Low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 67% | 0.674 | S | S | * | * | trans | -45.8 | 133.8 | 136.1 | -77.5 | -147.8 | 131.8 | 0 | 0 | 107.1 | P879 M883 | P879-E881 VanDerWaalsContact C-N 3.34Å; P879-E881 PolarHBondContact O-N 2.71Å; E881-M883 VanDerWaalsContact C-N 3.28Å; E881-M883 PolarHBondContact O-N 3.05Å | ||
| 882 | P | 53.8 | Low | 56.2 | Low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | trans | -65.1 | 95.3 | 179.8 | 26.6 | -33.3 | 0 | 0 | 0 | 108 | K884 | P882-K884 PolarHBondContact O-N 3.34Š| ||
| 883 | M | 54.3 | Low | 56.1 | Low | 138 Ų | 138 | 132.6 Ų | 132.6 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | trans | -51.6 | 114.8 | -171.5 | -168.4 | 175 | 79.4 | 0 | 0 | 107.7 | E881 H885 | E881-M883 VanDerWaalsContact C-N 3.28Å; E881-M883 PolarHBondContact O-N 3.05Å; M883-H885 PolarHBondContact O-N 3.13Å; M883-H885 PolarHBondContact O-ND1 2.95Å | ||
| 884 | K | 59.8 | Low | 56.3 | Low | 177 Ų | 177 | 130.7 Ų | 130.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | trans | -47.7 | 117.7 | 179 | -68.8 | 172.4 | -175.6 | 164.8 | 0 | 105.5 | P882 Y886 | P882-K884 PolarHBondContact O-N 3.34Å; K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 WeakPolarHBondContact O-CD2 3.37Å; K884-Y886 PolarHBondContact O-N 3.38Å | ||
| 885 | H | 56.6 | Low | 56.6 | Low | 184 Ų | 184 | 127.4 Ų | 127.4 | 85% | 0.852 | 66% | 0.661 | S | S | * | * | trans | -64.8 | 96.9 | -172.1 | -76.4 | 25.3 | 0 | 0 | 0 | 107.6 | M883 M887 | M883-H885 PolarHBondContact O-N 3.13Å; M883-H885 PolarHBondContact O-ND1 2.95Å; H885-M887 PolarHBondContact O-N 3.29Å | ||
| 886 | Y | 56.1 | Low | 57.3 | Low | 194 Ų | 194 | 131.2 Ų | 131.2 | 76% | 0.761 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 127.7 | 170.4 | -77.3 | -91.9 | 0 | 0 | 0 | 106.1 | K884 | K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 WeakPolarHBondContact O-CD2 3.37Å; K884-Y886 PolarHBondContact O-N 3.38Å |
| 887 | M | 65.9 | Low | 57.7 | Low | 151 Ų | 151 | 131.4 Ų | 131.4 | 74% | 0.744 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126.9 | 175.6 | -163.1 | 177.3 | 78.9 | 0 | 0 | 106.9 | H885 A889 | H885-M887 PolarHBondContact O-N 3.29Å; M887-A889 PolarHBondContact O-N 3.33Å |
| 888 | P | 60.8 | Low | 58.1 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -57 | 120.5 | -173.8 | 22.4 | -33 | 0 | 0 | 0 | 108.1 | T890 | P888-T890 PolarHBondContact O-N 3.46Š|
| 889 | A | 57.1 | Low | 58.3 | Low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | trans | -57.5 | 110.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | M887 | M887-A889 PolarHBondContact O-N 3.33Š| ||
| 890 | T | 60.1 | Low | 59.4 | Low | 72 Ų | 72 | 125.9 Ų | 125.9 | 44% | 0.442 | 66% | 0.662 | S | S | . | * | trans | -69 | 151.6 | 176.9 | 63 | 0 | 0 | 0 | 0 | 107.3 | P888 I892 D893 | P888-T890 PolarHBondContact O-N 3.46Å; T890-I892 PolarHBondContact O-N 2.93Å; T890-D893 PolarHBondContact N-OD2 2.95Å; T890-D893 PolarHBondContact O-N 3.05Å; T890-D893 PolarHBondContact OG1-OD2 3.19Å | ||
| 891 | E | 61.9 | Low | 61 | Low | 138 Ų | 138 | 124 Ų | 124 | 65% | 0.645 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 4.4 | -174 | -59.5 | -175.5 | 133 | 0 | 0 | 114.4 | C343 | C343-E891 WeakPolarHBondContact CA-OE2 3.41Å; C343-E891 WeakPolarHBondContact CB-OE1 3.49Å; C343-E891 PolarHBondContact SG-OE1 2.9Å |
| 892 | I | 58.4 | Low | 61.8 | Low | 122 Ų | 122 | 121.6 Ų | 121.6 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -33.9 | 172.8 | -48.8 | 178.8 | 0 | 0 | 0 | 111.1 | T890 A894 A895 S898 | T890-I892 PolarHBondContact O-N 2.93Å; I892-A894 PolarHBondContact O-N 3.25Å; I892-A894 VanDerWaalsContact O-N 3.12Å; I892-A895 VanDerWaalsContact O-CB 3.29Å; I892-A895 WeakPolarHBondContact O-CB 3.49Å; I892-A895 PolarHBondContact O-N 3.08Å; I892-S898 WeakPolarHBondContact O-CB 3.49Å |
| 893 | D | 51.9 | Low | 63 | Low | 80 Ų | 80 | 127.4 Ų | 127.4 | 43% | 0.428 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64 | -23.8 | -172 | -65.4 | -49.9 | 0 | 0 | 0 | 113.1 | T890 S898 | T890-D893 PolarHBondContact N-OD2 2.95Å; T890-D893 PolarHBondContact O-N 3.05Å; T890-D893 PolarHBondContact OG1-OD2 3.19Å; D893-S898 WeakPolarHBondContact O-CB 3.11Å; D893-S898 PolarHBondContact O-OG 2.78Å |
| 894 | A | 55.3 | Low | 64.1 | Low | 96 Ų | 96 | 130.6 Ų | 130.6 | 79% | 0.793 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 1.4 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | I892 | I892-A894 PolarHBondContact O-N 3.25Å; I892-A894 VanDerWaalsContact O-N 3.12Å |
| 895 | A | 61.9 | Low | 65.2 | Low | 40 Ų | 40 | 130 Ų | 130 | 33% | 0.331 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -69.7 | 144.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I892 F897 S898 | I892-A895 VanDerWaalsContact O-CB 3.29Å; I892-A895 WeakPolarHBondContact O-CB 3.49Å; I892-A895 PolarHBondContact O-N 3.08Å; A895-F897 PolarHBondContact O-N 3.09Å; A895-S898 WeakPolarHBondContact O-CB 3.43Å; A895-S898 PolarHBondContact O-N 3.38Å; A895-S898 PolarHBondContact O-OG 3.24Å |
| 896 | I | 64.6 | Low | 66.3 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 1 | 174.2 | 29.7 | 170.2 | 0 | 0 | 0 | 114.9 | ||
| 897 | F | 61 | Low | 67.6 | Low | 185 Ų | 185 | 126.2 Ų | 126.2 | 81% | 0.811 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 5.3 | 177.7 | -52 | -77.7 | 0 | 0 | 0 | 113.1 | A895 | A895-F897 PolarHBondContact O-N 3.09Š|
| 898 | S | 68.1 | Low | 68.6 | Low | 50 Ų | 50 | 127.8 Ų | 127.8 | 35% | 0.35 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -76.5 | -28.9 | -177.1 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | I892 D893 A895 | I892-S898 WeakPolarHBondContact O-CB 3.49Å; D893-S898 WeakPolarHBondContact O-CB 3.11Å; D893-S898 PolarHBondContact O-OG 2.78Å; A895-S898 WeakPolarHBondContact O-CB 3.43Å; A895-S898 PolarHBondContact O-N 3.38Å; A895-S898 PolarHBondContact O-OG 3.24Å |
| 899 | H | 63.4 | Low | 69.6 | Low | 94 Ų | 94 | 128.1 Ų | 128.1 | 44% | 0.435 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -131.4 | 149.8 | -173.3 | 60.4 | -77.6 | 0 | 0 | 0 | 109.4 | ||
| 900 | T | 74.6 | Confident | 71 | Confident | 125 Ų | 125 | 130.5 Ų | 130.5 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -64.8 | 139.8 | 167.2 | 45.1 | 0 | 0 | 0 | 0 | 109.1 | I902 | T900-I902 PolarHBondContact O-N 3.17Š|
| 901 | P | 77.3 | Confident | 71.9 | Confident | 126 Ų | 126 | 134.2 Ų | 134.2 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -53.6 | 109.8 | -170.4 | -31.1 | 36.6 | 0 | 0 | 0 | 114 | R903 | P901-R903 PolarHBondContact O-N 3.37Š| ||
| 902 | I | 74.9 | Confident | 73 | Confident | 121 Ų | 121 | 136.3 Ų | 136.3 | 62% | 0.621 | 70% | 0.698 | S | S | * | * | trans | -73.8 | 126.6 | 179.3 | -67.7 | 164 | 0 | 0 | 0 | 108.8 | T900 W904 | T900-I902 PolarHBondContact O-N 3.17Å; I902-W904 PolarHBondContact O-N 3.06Å; I902-W904 VanDerWaalsContact O-N 3.09Å | ||
| 903 | R | 79.9 | Confident | 74 | Confident | 242 Ų | 242 | 139.3 Ų | 139.3 | 91% | 0.913 | 71% | 0.71 | S | S | * | * | trans | -69.1 | 103.4 | 169.5 | -79.4 | -175.4 | 169.1 | -173 | -3 | 109.8 | P901 | P901-R903 PolarHBondContact O-N 3.37Š| ||
| 904 | W | 77.5 | Confident | 75.4 | Confident | 205 Ų | 205 | 139 Ų | 139 | 78% | 0.777 | 71% | 0.714 | S | S | * | * | trans | -82.8 | 155.3 | 167.3 | 53.9 | -85.9 | 0 | 0 | 0 | 111.2 | I902 L906 | I902-W904 PolarHBondContact O-N 3.06Å; I902-W904 VanDerWaalsContact O-N 3.09Å; W904-L906 HydrophobicContact CZ3-CB 4.2Å | ||
| 905 | Q | 82 | Confident | 76.2 | Confident | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | trans | -125.7 | 134.2 | 168.2 | -71.2 | -176.5 | -38.8 | 0 | 0 | 107.9 | ||||
| 906 | L | 80.1 | Confident | 76.9 | Confident | 148 Ų | 148 | 144 Ų | 144 | 78% | 0.775 | 72% | 0.72 | S | S | * | * | trans | -84.4 | 119 | 177.5 | -167.8 | 73.2 | 0 | 0 | 0 | 109.3 | W904 | W904-L906 HydrophobicContact CZ3-CB 4.2Š| ||
| 907 | H | 83.6 | Confident | 77.6 | Confident | 150 Ų | 150 | 139.3 Ų | 139.3 | 69% | 0.694 | 70% | 0.704 | S | S | * | * | trans | -106.2 | 113.3 | 164.9 | -74.7 | -78.5 | 0 | 0 | 0 | 108.7 | ||||
| 908 | E | 86.2 | Confident | 78.3 | Confident | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 70% | 0.703 | S | S | * | * | trans | -74.4 | 122.8 | 170.4 | -173.5 | 171.2 | -171.1 | 0 | 0 | 108.8 | ||||
| 909 | V | 82.1 | Confident | 78.6 | Confident | 115 Ų | 115 | 140.5 Ų | 140.5 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | trans | -122.9 | 107.6 | 178.7 | -179.8 | 0 | 0 | 0 | 0 | 107.7 | I911 | V909-I911 PolarHBondContact O-N 2.89Š| ||
| 910 | T | 86.8 | Confident | 79.1 | Confident | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | trans | -72.2 | 106.1 | 177.5 | -45.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 911 | I | 78.9 | Confident | 79.2 | Confident | 150 Ų | 150 | 139 Ų | 139 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 124.5 | 173.6 | -56.7 | 175.5 | 0 | 0 | 0 | 108.4 | V909 | V909-I911 PolarHBondContact O-N 2.89Š|
| 912 | E | 83.7 | Confident | 78.9 | Confident | 182 Ų | 182 | 136.3 Ų | 136.3 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -74 | 144.1 | 177.8 | -169.9 | 171.8 | -169.5 | 0 | 0 | 111.8 | S914 | E912-S914 PolarHBondContact O-N 3.35Š|
| 913 | E | 80.9 | Confident | 78.6 | Confident | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 123.5 | -179.9 | -67.7 | -168.8 | 170 | 0 | 0 | 111.8 | S915 | E913-S915 PolarHBondContact O-N 2.96Š|
| 914 | S | 79.5 | Confident | 78 | Confident | 75 Ų | 75 | 125.7 Ų | 125.7 | 52% | 0.524 | 65% | 0.646 | S | S | . | * | trans | -65.2 | 107.3 | -178.1 | 59.9 | 0 | 0 | 0 | 0 | 112.4 | E912 Y916 | E912-S914 PolarHBondContact O-N 3.35Å; S914-Y916 WeakPolarHBondContact O-CD2 3.44Å; S914-Y916 WeakPolarHBondContact O-CE2 3.41Å; S914-Y916 PolarHBondContact O-N 3.32Å; S914-Y916 PolarHBondContact OG-OH 3.4Å | ||
| 915 | S | 72.7 | Confident | 77.3 | Confident | 99 Ų | 99 | 124.2 Ų | 124.2 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -74.2 | 96.4 | -174.6 | -174.4 | 0 | 0 | 0 | 0 | 113.7 | E913 A917 | E913-S915 PolarHBondContact O-N 2.96Å; S915-A917 PolarHBondContact O-N 3.16Å | ||
| 916 | Y | 77.4 | Confident | 76.3 | Confident | 140 Ų | 140 | 121.7 Ų | 121.7 | 55% | 0.549 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | 21.2 | 173.4 | -52.6 | -72.3 | 0 | 0 | 0 | 114.7 | S914 I919 R920 | S914-Y916 WeakPolarHBondContact O-CD2 3.44Å; S914-Y916 WeakPolarHBondContact O-CE2 3.41Å; S914-Y916 PolarHBondContact O-N 3.32Å; S914-Y916 PolarHBondContact OG-OH 3.4Å; Y916-I919 HydrophobicContact CD1-CD1 4.2Å; Y916-R920 WeakPolarHBondContact O-CG 3.34Å; Y916-R920 PolarHBondContact O-N 3.47Å; Y916-R920 PolarHBondContact O-NE 3.1Å |
| 917 | A | 78.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 122.2 Ų | 122.2 | 43% | 0.43 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.1 | -48.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S915 I919 R920 A921 | S915-A917 PolarHBondContact O-N 3.16Å; A917-I919 PolarHBondContact O-N 2.93Å; A917-R920 PolarHBondContact O-N 3.18Å; A917-A921 PolarHBondContact O-N 3.02Å; A917-A921 VanDerWaalsContact O-N 3.07Å |
| 918 | Q | 75.4 | Confident | 74.2 | Confident | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | -176.6 | -163.3 | 168.8 | 4.6 | 0 | 0 | 112.5 | A921 S922 | Q918-A921 PolarHBondContact O-N 3.17Å; Q918-S922 PolarHBondContact O-N 2.99Å; Q918-S922 PolarHBondContact O-OG 3.06Å |
| 919 | I | 74.4 | Confident | 73 | Confident | 92 Ų | 92 | 123.6 Ų | 123.6 | 47% | 0.472 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -69.6 | -36.6 | 175.9 | -62.8 | 165.7 | 0 | 0 | 0 | 111.2 | Y916 A917 S922 A923 L940 | Y916-I919 HydrophobicContact CD1-CD1 4.2Å; A917-I919 PolarHBondContact O-N 2.93Å; I919-S922 PolarHBondContact O-OG 3.17Å; I919-S922 VanDerWaalsContact O-OG 3.14Å; I919-A923 VanDerWaalsContact O-CB 3.25Å; I919-A923 WeakPolarHBondContact O-CB 3.35Å; I919-A923 PolarHBondContact O-N 3.19Å; I919-L940 HydrophobicContact CG2-CD2 3.73Å |
| 920 | R | 75.3 | Confident | 72 | Confident | 126 Ų | 126 | 124.3 Ų | 124.3 | 48% | 0.475 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.6 | -34.9 | 173.4 | -73.4 | 178.4 | -73.9 | -173.2 | -0.7 | 112.2 | Y916 A917 L924 L940 | Y916-R920 WeakPolarHBondContact O-CG 3.34Å; Y916-R920 PolarHBondContact O-N 3.47Å; Y916-R920 PolarHBondContact O-NE 3.1Å; A917-R920 PolarHBondContact O-N 3.18Å; R920-L924 PolarHBondContact O-N 2.95Å; R920-L940 WeakPolarHBondContact CG-O 3.18Å |
| 921 | A | 74.8 | Confident | 71 | Confident | 60 Ų | 60 | 119.1 Ų | 119.1 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A917 Q918 L924 | A917-A921 PolarHBondContact O-N 3.02Å; A917-A921 VanDerWaalsContact O-N 3.07Å; Q918-A921 PolarHBondContact O-N 3.17Å; A921-L924 PolarHBondContact O-N 3.39Å |
| 922 | S | 72.9 | Confident | 70.4 | Confident | 70 Ų | 70 | 119.3 Ų | 119.3 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.8 | -35.6 | 177.3 | 62.5 | 0 | 0 | 0 | 0 | 112.6 | Q918 I919 L924 H925 K926 | Q918-S922 PolarHBondContact O-N 2.99Å; Q918-S922 PolarHBondContact O-OG 3.06Å; I919-S922 PolarHBondContact O-OG 3.17Å; I919-S922 VanDerWaalsContact O-OG 3.14Å; S922-L924 VanDerWaalsContact C-N 3.31Å; S922-L924 PolarHBondContact O-N 3.04Å; S922-H925 PolarHBondContact O-N 3.07Å; S922-H925 VanDerWaalsContact O-N 3.11Å; S922-K926 PolarHBondContact O-N 3.33Å |
| 923 | A | 66.6 | Low | 69.9 | Low | 10 Ų | 10 | 114.3 Ų | 114.3 | 8% | 0.083 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -65.8 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I919 H925 L931 L940 L942 | I919-A923 VanDerWaalsContact O-CB 3.25Å; I919-A923 WeakPolarHBondContact O-CB 3.35Å; I919-A923 PolarHBondContact O-N 3.19Å; A923-H925 PolarHBondContact O-N 3.26Å; A923-L931 HydrophobicContact CB-CD1 3.95Å; A923-L931 WeakPolarHBondContact O-CD1 3.34Å; A923-L940 HydrophobicContact CB-CD1 3.88Å; A923-L940 HydrophobicContact CB-CD2 4.3Å; A923-L940 HydrophobicContact CB-CG 4.47Å; A923-L942 HydrophobicContact CB-CD1 4.21Å |
| 924 | L | 68 | Low | 69.7 | Low | 131 Ų | 131 | 108.8 Ų | 108.8 | 69% | 0.686 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.6 | -20.7 | 172.4 | -96.2 | 168.6 | 0 | 0 | 0 | 113.4 | R920 A921 S922 L942 | R920-L924 PolarHBondContact O-N 2.95Å; A921-L924 PolarHBondContact O-N 3.39Å; S922-L924 VanDerWaalsContact C-N 3.31Å; S922-L924 PolarHBondContact O-N 3.04Å; L924-L942 HydrophobicContact CD2-CD2 3.89Å; L924-L942 HydrophobicContact CG-CD2 3.92Å |
| 925 | H | 62.5 | Low | 69.5 | Low | 174 Ų | 174 | 113.9 Ų | 113.9 | 81% | 0.806 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -103.9 | -12.6 | -171 | -129.3 | -63.1 | 0 | 0 | 0 | 114.6 | S922 A923 | S922-H925 PolarHBondContact O-N 3.07Å; S922-H925 VanDerWaalsContact O-N 3.11Å; A923-H925 PolarHBondContact O-N 3.26Å |
| 926 | K | 62.1 | Low | 69.7 | Low | 111 Ų | 111 | 113.4 Ų | 113.4 | 48% | 0.483 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -79.4 | 139.8 | 172.9 | -81.4 | -169.9 | 153.3 | -149.1 | 0 | 111.2 | S922 E930 L931 | S922-K926 PolarHBondContact O-N 3.33Å; K926-E930 WeakPolarHBondContact CD-OE2 3.32Å; K926-E930 WeakPolarHBondContact CE-OE2 3.36Å; K926-E930 IonicContact NZ-OE1 3.5Å; K926-E930 IonicContact NZ-OE2 3.34Å; K926-E930 PolarHBondContact NZ-OE2 3.26Å; K926-L931 HydrophobicContact CB-CD1 4.37Å |
| 927 | E | 58.8 | Low | 69.7 | Low | 159 Ų | 159 | 107.5 Ų | 107.5 | 74% | 0.743 | 52% | 0.515 | S | S | * | . | trans | -59.2 | 150.5 | -178.5 | -71.7 | -160.9 | 150.4 | 0 | 0 | 112.5 | R929 E930 | E927-R929 PolarHBondContact O-N 3.16Å; E927-E930 PolarHBondContact O-N 3.09Å | ||
| 928 | Q | 59.3 | Low | 69.7 | Low | 145 Ų | 145 | 113.6 Ų | 113.6 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 0.7 | -173.6 | -156.3 | 175.5 | 41.2 | 0 | 0 | 116.1 | T945 | Q928-T945 HydrophobicContact CG-CG2 4.34Š|
| 929 | R | 61.4 | Low | 69.8 | Low | 218 Ų | 218 | 111.5 Ų | 111.5 | 82% | 0.823 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -34.9 | -169.9 | -157.6 | 173.8 | -170.9 | 175.9 | -1.1 | 113.5 | E927 | E927-R929 PolarHBondContact O-N 3.16Š|
| 930 | E | 61.2 | Low | 69.8 | Low | 130 Ų | 130 | 108.1 Ų | 108.1 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -45.2 | 174.8 | -66.2 | -179.9 | -155.7 | 0 | 0 | 110.8 | K926 E927 R932 | K926-E930 WeakPolarHBondContact CD-OE2 3.32Å; K926-E930 WeakPolarHBondContact CE-OE2 3.36Å; K926-E930 IonicContact NZ-OE1 3.5Å; K926-E930 IonicContact NZ-OE2 3.34Å; K926-E930 PolarHBondContact NZ-OE2 3.26Å; E927-E930 PolarHBondContact O-N 3.09Å; E930-R932 PolarHBondContact O-N 2.95Å |
| 931 | L | 65.7 | Low | 69.7 | Low | 24 Ų | 24 | 105.4 Ų | 105.4 | 13% | 0.126 | 51% | 0.513 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 60.9 | 179 | -70.6 | 164.5 | 0 | 0 | 0 | 111.4 | A923 K926 M936 R937 L940 L942 | A923-L931 HydrophobicContact CB-CD1 3.95Å; A923-L931 WeakPolarHBondContact O-CD1 3.34Å; K926-L931 HydrophobicContact CB-CD1 4.37Å; L931-M936 HydrophobicContact CD2-CB 4.47Å; L931-R937 VanDerWaalsContact O-CZ 3.23Å; L931-R937 PolarHBondContact O-NE 3.04Å; L931-R937 PolarHBondContact O-NH2 3.11Å; L931-L940 HydrophobicContact CD2-CD1 3.72Å; L931-L942 HydrophobicContact CD1-CD1 3.95Å |
| 932 | R | 67.2 | Low | 69.5 | Low | 155 Ų | 155 | 104 Ų | 104 | 59% | 0.585 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -23.9 | 177.5 | -157.9 | 173.8 | -176.1 | -173.2 | 0.8 | 114.3 | E930 P934 D947 | E930-R932 PolarHBondContact O-N 2.95Å; R932-P934 WeakPolarHBondContact O-CD 3.45Å; R932-D947 IonicContact CZ-OD1 2.83Å; R932-D947 IonicContact NE-OD1 2.77Å; R932-D947 IonicContact NH2-OD1 3.75Å; R932-D947 PolarHBondContact NH2-OD1 3.01Å |
| 933 | D | 72.9 | Confident | 69.5 | Low | 77 Ų | 77 | 105.9 Ų | 105.9 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | trans | -66 | 122 | 177 | 174.8 | 16.8 | 0 | 0 | 0 | 112 | R935 M936 R937 | D933-R935 PolarHBondContact O-N 3.04Å; D933-R935 WeakPolarHBondContact OD1-CB 3.39Å; D933-R935 PolarHBondContact OD1-N 2.9Å; D933-R935 WeakPolarHBondContact OD2-CB 3.21Å; D933-M936 HydrophobicContact CB-CB 4.17Å; D933-M936 HydrophobicContact CB-CG 4.07Å; D933-M936 PolarHBondContact O-N 3.29Å; D933-M936 WeakPolarHBondContact OD2-CG 3.26Å; D933-M936 PolarHBondContact OD2-N 3.01Å; D933-R937 PolarHBondContact O-N 3.23Å; D933-R937 VanDerWaalsContact O-N 3.1Å | ||
| 934 | P | 77.4 | Confident | 69.3 | Low | 68 Ų | 68 | 111.5 Ų | 111.5 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.1 | -30.4 | 173.4 | -24.9 | 35.2 | 0 | 0 | 0 | 114.2 | R932 R938 | R932-P934 WeakPolarHBondContact O-CD 3.45Å; P934-R938 WeakPolarHBondContact O-CB 3.13Å; P934-R938 PolarHBondContact O-N 3.29Å |
| 935 | R | 74.4 | Confident | 69.1 | Low | 183 Ų | 183 | 107.4 Ų | 107.4 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.7 | -46.6 | 178 | -174.8 | -175.7 | -65.2 | -167.6 | -0.1 | 111.1 | D933 R937 R938 I939 | D933-R935 PolarHBondContact O-N 3.04Å; D933-R935 WeakPolarHBondContact OD1-CB 3.39Å; D933-R935 PolarHBondContact OD1-N 2.9Å; D933-R935 WeakPolarHBondContact OD2-CB 3.21Å; R935-R937 VanDerWaalsContact C-N 3.33Å; R935-R937 PolarHBondContact O-N 2.98Å; R935-R938 PolarHBondContact O-N 3.41Å; R935-I939 HydrophobicContact CG-CD1 4.07Å; R935-I939 WeakPolarHBondContact O-CG1 3.32Å; R935-I939 PolarHBondContact O-N 3.3Å |
| 936 | M | 77.2 | Confident | 69.2 | Low | 89 Ų | 89 | 105 Ų | 105 | 44% | 0.438 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.5 | -44 | 173.3 | -69.9 | -61.4 | -74.9 | 0 | 0 | 111.9 | L931 D933 R938 I939 L940 | L931-M936 HydrophobicContact CD2-CB 4.47Å; D933-M936 HydrophobicContact CB-CB 4.17Å; D933-M936 HydrophobicContact CB-CG 4.07Å; D933-M936 PolarHBondContact O-N 3.29Å; D933-M936 WeakPolarHBondContact OD2-CG 3.26Å; D933-M936 PolarHBondContact OD2-N 3.01Å; M936-R938 VanDerWaalsContact C-N 3.33Å; M936-R938 PolarHBondContact O-N 3.27Å; M936-I939 PolarHBondContact O-N 3.49Å; M936-L940 HydrophobicContact CE-CD1 4.43Å; M936-L940 WeakPolarHBondContact O-CB 3.33Å; M936-L940 WeakPolarHBondContact O-CD1 3.22Å; M936-L940 VanDerWaalsContact O-CG 3.28Å; M936-L940 WeakPolarHBondContact O-CG 3.35Å; M936-L940 PolarHBondContact O-N 3.16Å |
| 937 | R | 77.4 | Confident | 68.6 | Low | 16 Ų | 16 | 105.3 Ų | 105.3 | 6% | 0.06 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 175 | -70.1 | 178.9 | -178.4 | 175.5 | -8.3 | 112.6 | L931 D933 R935 L940 G941 L942 T945 | L931-R937 VanDerWaalsContact O-CZ 3.23Å; L931-R937 PolarHBondContact O-NE 3.04Å; L931-R937 PolarHBondContact O-NH2 3.11Å; D933-R937 PolarHBondContact O-N 3.23Å; D933-R937 VanDerWaalsContact O-N 3.1Å; R935-R937 VanDerWaalsContact C-N 3.33Å; R935-R937 PolarHBondContact O-N 2.98Å; R937-L940 CarbonylContact O-C 3.1Å; R937-L940 PolarHBondContact O-N 3.28Å; R937-G941 PolarHBondContact O-N 2.97Å; R937-L942 HydrophobicContact CB-CB 4.13Å; R937-L942 HydrophobicContact CG-CB 4.18Å; R937-L942 PolarHBondContact O-N 3.19Å; R937-T945 VanDerWaalsContact NH1-N 3.15Å; R937-T945 PolarHBondContact NH1-OG1 2.79Å; R937-T945 PolarHBondContact NH2-OG1 3.37Å |
| 938 | R | 79.1 | Confident | 68 | Low | 179 Ų | 179 | 104.9 Ų | 104.9 | 68% | 0.675 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 178.4 | -167.3 | 171.2 | -60.6 | 153.4 | 7.5 | 113.2 | P934 R935 M936 E944 | P934-R938 WeakPolarHBondContact O-CB 3.13Å; P934-R938 PolarHBondContact O-N 3.29Å; R935-R938 PolarHBondContact O-N 3.41Å; M936-R938 VanDerWaalsContact C-N 3.33Å; M936-R938 PolarHBondContact O-N 3.27Å; R938-E944 IonicContact NH2-OE1 3.97Å; R938-E944 PolarHBondContact NH2-OE1 2.79Å; R938-E944 VanDerWaalsContact NH2-OE1 3.08Å |
| 939 | I | 77.4 | Confident | 67.2 | Low | 124 Ų | 124 | 103.8 Ų | 103.8 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 174.3 | -67.5 | 165.8 | 0 | 0 | 0 | 110.9 | R935 M936 | R935-I939 HydrophobicContact CG-CD1 4.07Å; R935-I939 WeakPolarHBondContact O-CG1 3.32Å; R935-I939 PolarHBondContact O-N 3.3Å; M936-I939 PolarHBondContact O-N 3.49Å |
| 940 | L | 73.4 | Confident | 66.3 | Low | 22 Ų | 22 | 96.2 Ų | 96.2 | 12% | 0.115 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -88.8 | -5 | -176.8 | -64.4 | 166 | 0 | 0 | 0 | 114.2 | I919 R920 A923 L931 M936 R937 L942 | I919-L940 HydrophobicContact CG2-CD2 3.73Å; R920-L940 WeakPolarHBondContact CG-O 3.18Å; A923-L940 HydrophobicContact CB-CD1 3.88Å; A923-L940 HydrophobicContact CB-CD2 4.3Å; A923-L940 HydrophobicContact CB-CG 4.47Å; L931-L940 HydrophobicContact CD2-CD1 3.72Å; M936-L940 HydrophobicContact CE-CD1 4.43Å; M936-L940 WeakPolarHBondContact O-CB 3.33Å; M936-L940 WeakPolarHBondContact O-CD1 3.22Å; M936-L940 VanDerWaalsContact O-CG 3.28Å; M936-L940 WeakPolarHBondContact O-CG 3.35Å; M936-L940 PolarHBondContact O-N 3.16Å; R937-L940 CarbonylContact O-C 3.1Å; R937-L940 PolarHBondContact O-N 3.28Å; L940-L942 HydrophobicContact CB-CD1 4.21Å; L940-L942 HydrophobicContact CB-CG 4.16Å |
| 941 | G | 73 | Confident | 65.5 | Low | 68 Ų | 68 | 95.6 Ų | 95.6 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 22.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R937 | R937-G941 PolarHBondContact O-N 2.97Š|
| 942 | L | 71.2 | Confident | 64.2 | Low | 32 Ų | 32 | 102.9 Ų | 102.9 | 17% | 0.168 | 57% | 0.566 | C | S | . | * | P | Polyproline II helix | trans | -87.8 | 145.1 | -178.8 | -64.7 | 174.1 | 0 | 0 | 0 | 111.8 | A923 L924 L931 R937 L940 | A923-L942 HydrophobicContact CB-CD1 4.21Å; L924-L942 HydrophobicContact CD2-CD2 3.89Å; L924-L942 HydrophobicContact CG-CD2 3.92Å; L931-L942 HydrophobicContact CD1-CD1 3.95Å; R937-L942 HydrophobicContact CB-CB 4.13Å; R937-L942 HydrophobicContact CG-CB 4.18Å; R937-L942 PolarHBondContact O-N 3.19Å; L940-L942 HydrophobicContact CB-CD1 4.21Å; L940-L942 HydrophobicContact CB-CG 4.16Å |
| 943 | P | 72.7 | Confident | 62.8 | Low | 108 Ų | 108 | 99.2 Ų | 99.2 | 70% | 0.701 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -68 | 145.6 | 179.8 | 27.9 | -34.8 | 0 | 0 | 0 | 112.9 | T945 | P943-T945 PolarHBondContact O-N 2.95Š|
| 944 | E | 63.6 | Low | 61.3 | Low | 128 Ų | 128 | 101.6 Ų | 101.6 | 60% | 0.598 | 60% | 0.599 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 123.1 | 176.1 | -68.4 | 179.7 | 164.8 | 0 | 0 | 110.7 | R938 | R938-E944 IonicContact NH2-OE1 3.97Å; R938-E944 PolarHBondContact NH2-OE1 2.79Å; R938-E944 VanDerWaalsContact NH2-OE1 3.08Å |
| 945 | T | 63 | Low | 60 | Low | 45 Ų | 45 | 105.1 Ų | 105.1 | 28% | 0.276 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -83.9 | 129.7 | 175 | 64.2 | 0 | 0 | 0 | 0 | 110.7 | Q928 R937 P943 D947 | Q928-T945 HydrophobicContact CG-CG2 4.34Å; R937-T945 VanDerWaalsContact NH1-N 3.15Å; R937-T945 PolarHBondContact NH1-OG1 2.79Å; R937-T945 PolarHBondContact NH2-OG1 3.37Å; P943-T945 PolarHBondContact O-N 2.95Å; T945-D947 PolarHBondContact O-N 2.71Å |
| 946 | P | 65.7 | Low | 58.2 | Low | 125 Ų | 125 | 101.8 Ų | 101.8 | 81% | 0.812 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 125.9 | 174.7 | 28.5 | -33.7 | 0 | 0 | 0 | 111 | ||
| 947 | D | 49.1 | Very low | 56.4 | Low | 117 Ų | 117 | 104.5 Ų | 104.5 | 63% | 0.626 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -70 | 129.3 | 173.9 | -81 | -67.2 | 0 | 0 | 0 | 111.2 | R932 T945 | R932-D947 IonicContact CZ-OD1 2.83Å; R932-D947 IonicContact NE-OD1 2.77Å; R932-D947 IonicContact NH2-OD1 3.75Å; R932-D947 PolarHBondContact NH2-OD1 3.01Å; T945-D947 PolarHBondContact O-N 2.71Å |
| 948 | N | 46.2 | Very low | 54.6 | Low | 150 Ų | 150 | 112.2 Ų | 112.2 | 80% | 0.802 | 68% | 0.675 | S | S | * | * | trans | -132.9 | 106.5 | 176.4 | -180 | 9.2 | 0 | 0 | 0 | 110.3 | ||||
| 949 | S | 42.2 | Very low | 52.5 | Low | 121 Ų | 121 | 107 Ų | 107 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | trans | -132.4 | 50.6 | -177.7 | 52.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 950 | G | 43.4 | Very low | 50.8 | Low | 59 Ų | 59 | 107.2 Ų | 107.2 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | trans | -93.7 | 134.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 951 | P | 43.1 | Very low | 49.1 | Very low | 117 Ų | 117 | 110.9 Ų | 110.9 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -87.5 | 133.2 | -168.3 | 32 | -35.1 | 0 | 0 | 0 | 116 | ||||
| 952 | L | 38.5 | Very low | 47.5 | Very low | 177 Ų | 177 | 112.1 Ų | 112.1 | 93% | 0.927 | 71% | 0.711 | S | S | * | * | trans | 57.6 | 103 | 146.6 | -56 | 174.7 | 0 | 0 | 0 | 119.1 | ||||
| 953 | G | 38.4 | Very low | 45.9 | Very low | 79 Ų | 79 | 119.4 Ų | 119.4 | 81% | 0.814 | 74% | 0.742 | S | S | * | * | trans | -160.2 | 111.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 954 | S | 40.8 | Very low | 44.1 | Very low | 126 Ų | 126 | 119.4 Ų | 119.4 | 88% | 0.881 | 75% | 0.745 | S | S | * | * | trans | -83.5 | 124.6 | -171.4 | -51.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 955 | V | 49.4 | Very low | 42.7 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | -157.9 | 140.1 | 140.4 | -101.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 956 | P | 37 | Very low | 41.5 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -110.4 | -176.1 | 179.7 | 42 | -35.4 | 0 | 0 | 0 | 113.9 | ||||
| 957 | I | 39.9 | Very low | 39.9 | Very low | 146 Ų | 146 | 123.6 Ų | 123.6 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 93.9 | 132.7 | 158.2 | -65.1 | 165.6 | 0 | 0 | 0 | 118 | ||||
| 958 | M | 39.3 | Very low | 39.4 | Very low | 179 Ų | 179 | 125 Ų | 125 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | 74.2 | 114.2 | 164.6 | -78.1 | 155.3 | 135.9 | 0 | 0 | 120.7 | ||||
| 959 | G | 36.1 | Very low | 38.8 | Very low | 70 Ų | 70 | 122 Ų | 122 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | -96.8 | -134.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 960 | P | 41.7 | Very low | 38.3 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 83% | 0.831 | 77% | 0.772 | S | S | * | * | cis | -135.2 | 159.2 | -14.7 | 41 | -25.7 | 0 | 0 | 0 | 114.8 | ||||
| 961 | S | 37.5 | Very low | 37.8 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -178.7 | 117.9 | 158.3 | 55 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 962 | S | 37.7 | Very low | 37.3 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | 97.6 | 160.3 | 79.3 | -64.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 963 | F | 37.8 | Very low | 37.3 | Very low | 186 Ų | 186 | 126.5 Ų | 126.5 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | trans | 69.3 | 99.5 | -174.8 | -32.7 | -62.5 | 0 | 0 | 0 | 111.6 | ||||
| 964 | S | 36.5 | Very low | 37.1 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | cis | 58.2 | 95.5 | 39.3 | -43.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 965 | V | 34 | Very low | 36.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | 102.4 | 160.9 | 77.6 | 152.1 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 966 | D | 36.3 | Very low | 36.3 | Very low | 131 Ų | 131 | 128.1 Ų | 128.1 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | trans | 80.2 | 94.5 | 176.8 | -61.7 | -39.8 | 0 | 0 | 0 | 119.6 | ||||
| 967 | N | 33.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | 89 | 139.4 | 110.9 | -74.2 | -37.2 | 0 | 0 | 0 | 123.5 | |||||
| 968 | I | 38.4 | Very low | 36.2 | Very low | 147 Ų | 147 | 126.9 Ų | 126.9 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | 56 | 87.9 | 143.3 | -58.7 | 163.3 | 0 | 0 | 0 | 114.8 | ||||
| 969 | A | 32.6 | Very low | 36.1 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | 76.2 | 143.1 | 72.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 970 | R | 31.9 | Very low | 36.2 | Very low | 246 Ų | 246 | 129.7 Ų | 129.7 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | trans | 72 | 144.3 | -173.7 | -58.8 | 172.4 | 176.8 | 153.8 | -1.1 | 113 | ||||
| 971 | C | 34.2 | Very low | 36.1 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | cis | -143.5 | 134.8 | 2.7 | -112.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 972 | A | 32.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 90.6 | 159.8 | 82.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 973 | T | 37 | Very low | 36.2 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 64.6 | 131.5 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 974 | T | 34.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | cis | 109.7 | 103.9 | 14.8 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 975 | I | 34.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 86% | 0.862 | 76% | 0.762 | S | S | * | * | trans | -147.9 | 122 | 160.1 | -50.8 | 178.8 | 0 | 0 | 0 | 105 | ||||
| 976 | A | 39.5 | Very low | 36.4 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | cis | 103.1 | 131.8 | 24.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 977 | S | 35.3 | Very low | 36.7 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | trans | -67.7 | 149.6 | 169.7 | -58.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 978 | P | 39.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -83.8 | 124.9 | 173.1 | 32.6 | -30.4 | 0 | 0 | 0 | 110.8 | ||||
| 979 | D | 37.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 130.1 Ų | 130.1 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | trans | -153.8 | 131.4 | 147.7 | -102 | -42.2 | 0 | 0 | 0 | 112.3 | ||||
| 980 | L | 39 | Very low | 37.5 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 42.5 | 152.6 | 158.1 | -112.1 | 66.2 | 0 | 0 | 0 | 125.7 | ||||
| 981 | E | 38.3 | Very low | 37.8 | Very low | 151 Ų | 151 | 124.5 Ų | 124.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 74.2 | 93.1 | 153.1 | -61.5 | -85.4 | 77 | 0 | 0 | 120.6 | ||||
| 982 | T | 37 | Very low | 38.2 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | 54.4 | 135.1 | 138.5 | 69.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 983 | A | 39.7 | Very low | 38.9 | Very low | 84 Ų | 84 | 126.6 Ų | 126.6 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -164 | 138.8 | 41.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 984 | V | 38.8 | Very low | 39.4 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | 73.5 | 117.6 | 126.5 | 171.7 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 985 | R | 39.3 | Very low | 39.8 | Very low | 207 Ų | 207 | 124.8 Ų | 124.8 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | 90.7 | 112.1 | 165.7 | -60.5 | -55.6 | 155.5 | 168.8 | -4.6 | 117.7 | ||||
| 986 | D | 35.5 | Very low | 40.2 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | 89.5 | 130.1 | 71.8 | -101.7 | -40.1 | 0 | 0 | 0 | 111.5 | |||||
| 987 | S | 42.8 | Very low | 40.4 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 59% | 0.587 | 75% | 0.75 | S | S | * | * | cis | -153.6 | 134 | 3.7 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 988 | T | 41.3 | Very low | 40.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | 59.4 | 152.5 | 138 | 58.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 989 | P | 41.3 | Very low | 40.6 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | trans | -120.1 | 173.7 | -170 | 43.8 | -32.9 | 0 | 0 | 0 | 117.1 | ||||
| 990 | S | 39.4 | Very low | 40.9 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -161.4 | 131.9 | 153.6 | -177.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 991 | S | 37.1 | Very low | 40.8 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | -18.4 | 175 | 138.9 | -38.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 992 | P | 42.4 | Very low | 40.9 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | -138.4 | -158.4 | -50.9 | 45.2 | -25.9 | 0 | 0 | 0 | 111.2 | |||||
| 993 | P | 48.5 | Very low | 41 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | trans | -92 | 176.4 | -173 | 39.8 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 994 | P | 47.5 | Very low | 40.9 | Very low | 112 Ų | 112 | 123.2 Ų | 123.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | -161.7 | 174.5 | 112.9 | 40.7 | -21.3 | 0 | 0 | 0 | 119.6 | |||||
| 995 | S | 41.8 | Very low | 41.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | trans | 78.3 | 156.7 | 158.3 | -30 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 996 | V | 43.5 | Very low | 41.7 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | cis | -153.2 | 172.6 | 18.5 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 997 | V | 43.3 | Very low | 42.2 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | cis | -168.4 | 151.5 | -19 | 141.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 998 | N | 40.3 | Very low | 41.8 | Very low | 140 Ų | 140 | 119.2 Ų | 119.2 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | trans | 65.4 | 138.6 | 167.5 | -74.2 | -7.4 | 0 | 0 | 0 | 119.7 | ||||
| 999 | L | 38.1 | Very low | 41.7 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | cis | 75.4 | 154.3 | 21.3 | -63.1 | 164.5 | 0 | 0 | 0 | 116.2 | ||||
| 1000 | P | 44.2 | Very low | 41.4 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | cis | -124.4 | -154.8 | 1.4 | 45.5 | -29 | 0 | 0 | 0 | 111.4 | ||||
| 1001 | S | 37.2 | Very low | 41.4 | Very low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | cis | -168.6 | 159.3 | -4.5 | -137.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1002 | M | 39.5 | Very low | 41.4 | Very low | 156 Ų | 156 | 124.3 Ų | 124.3 | 77% | 0.768 | 74% | 0.74 | S | S | * | * | trans | 64.4 | 158.8 | 151.4 | -62 | -54.5 | 92.6 | 0 | 0 | 120 | ||||
| 1003 | S | 39.4 | Very low | 41.5 | Very low | 88 Ų | 88 | 124 Ų | 124 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | cis | -161.9 | 135.9 | -16.6 | -113.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1004 | V | 38.9 | Very low | 41.1 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | 78 | 140 | 92 | 173.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1005 | P | 43.6 | Very low | 40.4 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | trans | -121 | -129.7 | -142.7 | 40.6 | -21 | 0 | 0 | 0 | 116.7 | ||||
| 1006 | P | 51.2 | Low | 40.1 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -115.1 | 166.9 | -133.8 | 42.6 | -27.5 | 0 | 0 | 0 | 117.4 | ||||
| 1007 | P | 46.1 | Very low | 39.6 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -127 | 141.1 | 143.2 | 28.7 | -12.7 | 0 | 0 | 0 | 111.7 | ||||
| 1008 | S | 33.3 | Very low | 39.3 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | 90.5 | 147 | 46.2 | -166.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1009 | M | 39.1 | Very low | 38.8 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 70% | 0.7 | 75% | 0.754 | S | S | * | * | trans | 73.4 | 153.7 | 176.1 | -57.7 | -70.3 | 93.5 | 0 | 0 | 118 | ||||
| 1010 | R | 34.8 | Very low | 39 | Very low | 208 Ų | 208 | 134.4 Ų | 134.4 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | -171.5 | 159.7 | -38.3 | -140.9 | -172.4 | -164.7 | 174.1 | 2 | 110.2 | ||||
| 1011 | V | 39.7 | Very low | 38.7 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | trans | 76 | 134.2 | 158.5 | -179.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1012 | P | 38.1 | Very low | 39 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | -114.3 | -158.2 | 168.7 | 43.6 | -33 | 0 | 0 | 0 | 111.8 | ||||
| 1013 | P | 42.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | -106.9 | -173.1 | -53.3 | 39.1 | -25.2 | 0 | 0 | 0 | 110.9 | |||||
| 1014 | P | 39.6 | Very low | 39.1 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | -153.7 | 148.8 | 97.3 | 38.4 | -20.1 | 0 | 0 | 0 | 117.9 | |||||
| 1015 | N | 34 | Very low | 39.1 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 36.2 | 147.2 | 135.3 | -148.2 | 12.7 | 0 | 0 | 0 | 124.3 | ||||
| 1016 | I | 36.1 | Very low | 38.7 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 78.7 | 97.6 | 162.4 | -42.3 | -172.7 | 0 | 0 | 0 | 119.6 | ||||
| 1017 | Q | 31.4 | Very low | 38.4 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | 37 | 162 | 128.9 | -53.7 | -173.8 | 9.1 | 0 | 0 | 124.2 | |||||
| 1018 | V | 38.6 | Very low | 38.4 | Very low | 142 Ų | 142 | 149 Ų | 149 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | 101.4 | 151.6 | 169.2 | -172.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1019 | E | 30.1 | Very low | 39 | Very low | 180 Ų | 180 | 155.5 Ų | 155.5 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -96.1 | -170.1 | -157 | -43.9 | 176.8 | 119.3 | 0 | 0 | 116.1 | ||||
| 1020 | K | 40.5 | Very low | 39.2 | Very low | 193 Ų | 193 | 153.9 Ų | 153.9 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 87.8 | 157.4 | 153.7 | -156.5 | 162.5 | 178.1 | 176.7 | 0 | 115.7 | ||||
| 1021 | P | 39.6 | Very low | 40 | Very low | 120 Ų | 120 | 149.4 Ų | 149.4 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -124.7 | -173 | -10.9 | 18.6 | 7.4 | 0 | 0 | 0 | 116.3 | ||||
| 1022 | T | 42.4 | Very low | 40.3 | Very low | 135 Ų | 135 | 154.5 Ų | 154.5 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -93.8 | 163.3 | -176.7 | 54.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1023 | V | 41.4 | Very low | 40.7 | Very low | 139 Ų | 139 | 160.7 Ų | 160.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 114.5 | 156.8 | -179.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1024 | R | 39.4 | Very low | 40.6 | Very low | 240 Ų | 240 | 160.1 Ų | 160.1 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | 46.7 | 162.2 | 157.3 | -77 | -177.6 | 160.3 | 122.4 | -2.5 | 121.9 | ||||
| 1025 | T | 39 | Very low | 40.9 | Very low | 138 Ų | 138 | 160 Ų | 160 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -138.6 | 146.9 | -155 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1026 | D | 36 | Very low | 41.2 | Very low | 110 Ų | 110 | 160.6 Ų | 160.6 | 59% | 0.588 | 81% | 0.805 | S | S | * | * | trans | -108.8 | 128.5 | 159.1 | -175.1 | -45.3 | 0 | 0 | 0 | 109.8 | R1028 | D1026-R1028 VanDerWaalsContact C-N 3.27Å; D1026-R1028 PolarHBondContact O-N 3.32Å; D1026-R1028 PolarHBondContact OD1-N 3.08Å | ||
| 1027 | P | 44.4 | Very low | 41.5 | Very low | 130 Ų | 130 | 163.3 Ų | 163.3 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 10.2 | -173 | -21 | 34.5 | 0 | 0 | 0 | 118.6 | ||
| 1028 | R | 45.9 | Very low | 41.9 | Very low | 224 Ų | 224 | 159.4 Ų | 159.4 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 13.9 | -171.3 | -67.1 | -166.4 | 175.7 | 98.3 | -2.2 | 117.4 | D1026 | D1026-R1028 VanDerWaalsContact C-N 3.27Å; D1026-R1028 PolarHBondContact O-N 3.32Å; D1026-R1028 PolarHBondContact OD1-N 3.08Å |
| 1029 | R | 45.9 | Very low | 41.9 | Very low | 235 Ų | 235 | 157.8 Ų | 157.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -89 | 132.1 | -175 | -130.4 | 173.2 | -173.5 | -139 | 3.1 | 113.2 | P1031 | R1029-P1031 WeakPolarHBondContact O-CD 3.19Š| ||
| 1030 | D | 42.6 | Very low | 42.1 | Very low | 108 Ų | 108 | 155 Ų | 155 | 58% | 0.578 | 80% | 0.802 | S | S | * | * | trans | -66.5 | 120.1 | -176.7 | -165.8 | -33 | 0 | 0 | 0 | 111.7 | R1032 | D1030-R1032 PolarHBondContact O-N 3.1Å; D1030-R1032 VanDerWaalsContact O-N 3.1Å | ||
| 1031 | P | 53.3 | Low | 42 | Very low | 114 Ų | 114 | 155.8 Ų | 155.8 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | G | 310 helix | trans | -67.9 | -10.4 | -168.6 | -24.4 | 35.1 | 0 | 0 | 0 | 116.8 | R1029 R1033 | R1029-P1031 WeakPolarHBondContact O-CD 3.19Å; P1031-R1033 PolarHBondContact O-N 3.3Å |
| 1032 | R | 44.3 | Very low | 41.7 | Very low | 231 Ų | 231 | 153.7 Ų | 153.7 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | G | 310 helix | trans | -91.5 | 8.4 | -163 | -68.4 | -175.2 | 172.6 | -167.8 | -4.2 | 116.7 | D1030 | D1030-R1032 PolarHBondContact O-N 3.1Å; D1030-R1032 VanDerWaalsContact O-N 3.1Å |
| 1033 | R | 48.4 | Very low | 41.4 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -102.9 | 5.3 | 179.6 | -142.4 | 176.1 | -168.5 | -114.8 | 6.8 | 115.1 | P1031 V1035 | P1031-R1033 PolarHBondContact O-N 3.3Å; R1033-V1035 VanDerWaalsContact C-N 3.31Å; R1033-V1035 PolarHBondContact O-N 3.27Å; R1033-V1035 VanDerWaalsContact O-N 3.12Å |
| 1034 | A | 39.5 | Very low | 41.1 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -82 | 75.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1035 | V | 45.8 | Very low | 41 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 130.3 | -177.1 | 118.6 | 0 | 0 | 0 | 0 | 111.1 | R1033 | R1033-V1035 VanDerWaalsContact C-N 3.31Å; R1033-V1035 PolarHBondContact O-N 3.27Å; R1033-V1035 VanDerWaalsContact O-N 3.12Å | ||
| 1036 | L | 40.5 | Very low | 40.8 | Very low | 160 Ų | 160 | 142.7 Ų | 142.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | 46.7 | 82.8 | 156.1 | -58.6 | 169.7 | 0 | 0 | 0 | 117.9 | ||||
| 1037 | Q | 42.1 | Very low | 40.6 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -140.1 | 138.7 | 148.7 | -69.2 | -165.8 | 0.5 | 0 | 0 | 111.3 | ||||
| 1038 | A | 40 | Very low | 40 | Very low | 99 Ų | 99 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 70.1 | 152 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1039 | P | 38.7 | Very low | 39.7 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | trans | -138.8 | 169.9 | -132.8 | 41.7 | -23.5 | 0 | 0 | 0 | 118.9 | ||||
| 1040 | T | 35.4 | Very low | 39.3 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | 56.5 | 107.4 | 152.2 | 52.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1041 | K | 37.4 | Very low | 39.2 | Very low | 210 Ų | 210 | 134.6 Ų | 134.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | 164 | 146 | 113.8 | -89.9 | 168.8 | -177.7 | 178.7 | 0 | 111.9 | |||||
| 1042 | G | 33.4 | Very low | 38.5 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 107 | 93.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1043 | A | 35.8 | Very low | 38.7 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | trans | 46.9 | 108.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1044 | S | 35.3 | Very low | 39 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | 77.5 | 120.4 | 114.8 | -52.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1045 | T | 36.8 | Very low | 40 | Very low | 137 Ų | 137 | 116 Ų | 116 | 84% | 0.84 | 74% | 0.737 | S | S | * | * | trans | 107.2 | 124.9 | 135.1 | -56.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1046 | A | 35.2 | Very low | 41.3 | Very low | 81 Ų | 81 | 110.7 Ų | 110.7 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | trans | 74.7 | 99.7 | 156.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1047 | N | 32.3 | Very low | 43.1 | Very low | 151 Ų | 151 | 106 Ų | 106 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | 48.2 | 110.7 | 128.7 | -59.2 | -0.4 | 0 | 0 | 0 | 121.7 | |||||
| 1048 | T | 31.2 | Very low | 45.2 | Very low | 139 Ų | 139 | 103.4 Ų | 103.4 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | 176.2 | 120.3 | 105.3 | 27.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1049 | T | 39.7 | Very low | 47.3 | Very low | 150 Ų | 150 | 99.2 Ų | 99.2 | 92% | 0.92 | 64% | 0.636 | S | S | * | * | trans | -152.6 | 150.8 | 168.4 | -9.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 1050 | A | 37.4 | Very low | 49.6 | Very low | 87 Ų | 87 | 94.5 Ų | 94.5 | 72% | 0.719 | 61% | 0.605 | S | S | * | * | trans | -64.9 | 163.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1051 | P | 40.1 | Very low | 52.1 | Low | 110 Ų | 110 | 92 Ų | 92 | 71% | 0.714 | 59% | 0.592 | S | S | * | * | trans | -72.7 | 155 | -165.5 | 27.4 | -36.8 | 0 | 0 | 0 | 117.1 | A1053 | P1051-A1053 PolarHBondContact O-N 2.96Š| ||
| 1052 | N | 38.7 | Very low | 54.6 | Low | 119 Ų | 119 | 86.5 Ų | 86.5 | 64% | 0.636 | 57% | 0.57 | S | S | * | * | trans | -74.8 | 99.7 | -178.3 | -82.2 | -35.5 | 0 | 0 | 0 | 114 | ||||
| 1053 | A | 48.2 | Very low | 57.1 | Low | 98 Ų | 98 | 82.9 Ų | 82.9 | 81% | 0.81 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -94.5 | -9.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P1051 | P1051-A1053 PolarHBondContact O-N 2.96Š|
| 1054 | S | 55.8 | Low | 59.7 | Low | 72 Ų | 72 | 84.4 Ų | 84.4 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -100.9 | 17.3 | -174.5 | -162.2 | 0 | 0 | 0 | 0 | 113.9 | S1057 | S1054-S1057 PolarHBondContact O-OG 2.76Š|
| 1055 | G | 60.5 | Low | 62.2 | Low | 8 Ų | 8 | 82.1 Ų | 82.1 | 8% | 0.082 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -62 | -86.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S1057 K1058 Q1059 | G1055-S1057 PolarHBondContact O-N 2.91Å; G1055-K1058 VanDerWaalsContact O-CB 3.31Å; G1055-K1058 WeakPolarHBondContact O-CB 3.41Å; G1055-K1058 PolarHBondContact O-N 3.12Å; G1055-Q1059 PolarHBondContact O-OE1 3.06Å |
| 1056 | G | 71.9 | Confident | 64.6 | Low | 4 Ų | 4 | 76.8 Ų | 76.8 | 4% | 0.041 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -48.5 | -24.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | K1058 I1060 H1099 | G1056-K1058 VanDerWaalsContact C-N 3.25Å; G1056-K1058 PolarHBondContact O-N 3.27Å; G1056-I1060 VanDerWaalsContact O-CB 3.28Å; G1056-I1060 WeakPolarHBondContact O-CB 3.4Å; G1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; G1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; G1056-I1060 PolarHBondContact O-N 3.26Å; G1056-I1060 VanDerWaalsContact O-N 3.07Å; G1056-H1099 VanDerWaalsContact CA-ND1 3.31Å; G1056-H1099 WeakPolarHBondContact CA-ND1 3.19Å; G1056-H1099 PolarHBondContact N-CD2 3.35Å; G1056-H1099 VanDerWaalsContact N-CD2 3.33Å; G1056-H1099 PolarHBondContact N-ND1 2.83Å |
| 1057 | S | 78.9 | Confident | 67.1 | Low | 63 Ų | 63 | 73.2 Ų | 73.2 | 44% | 0.441 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.2 | -30.4 | 169.6 | 49.2 | 0 | 0 | 0 | 0 | 114 | S1054 G1055 S1061 | S1054-S1057 PolarHBondContact O-OG 2.76Å; G1055-S1057 PolarHBondContact O-N 2.91Å; S1057-S1061 WeakPolarHBondContact O-CB 3.45Å; S1057-S1061 PolarHBondContact O-N 3.3Å; S1057-S1061 PolarHBondContact O-OG 2.83Å |
| 1058 | K | 85.5 | Confident | 69.6 | Low | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.6 | -60.1 | 175.9 | -66.9 | 178.6 | 177.1 | -177.9 | 0 | 110.5 | G1055 G1056 I1060 S1061 E1062 | G1055-K1058 VanDerWaalsContact O-CB 3.31Å; G1055-K1058 WeakPolarHBondContact O-CB 3.41Å; G1055-K1058 PolarHBondContact O-N 3.12Å; G1056-K1058 VanDerWaalsContact C-N 3.25Å; G1056-K1058 PolarHBondContact O-N 3.27Å; K1058-I1060 VanDerWaalsContact C-N 3.26Å; K1058-I1060 PolarHBondContact O-N 2.82Å; K1058-S1061 CarbonylContact O-C 3.12Å; K1058-S1061 WeakPolarHBondContact O-CA 3.2Å; K1058-S1061 WeakPolarHBondContact O-CB 3.32Å; K1058-S1061 PolarHBondContact O-N 2.91Å; K1058-E1062 WeakPolarHBondContact O-CB 3.35Å; K1058-E1062 PolarHBondContact O-N 2.92Å |
| 1059 | Q | 84.5 | Confident | 72.2 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.056 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -58.3 | -37.6 | -178.4 | -65 | 95 | -23 | 0 | 0 | 112.2 | G1055 S1061 E1062 I1063 H1099 G1135 V1137 | G1055-Q1059 PolarHBondContact O-OE1 3.06Å; Q1059-S1061 VanDerWaalsContact C-N 3.34Å; Q1059-S1061 PolarHBondContact O-N 2.96Å; Q1059-E1062 PolarHBondContact O-N 2.83Å; Q1059-I1063 VanDerWaalsContact O-CG1 3.32Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; Q1059-I1063 PolarHBondContact O-N 3.25Å; Q1059-H1099 PolarHBondContact NE2-CE1 3.04Å; Q1059-H1099 VanDerWaalsContact NE2-CE1 3.27Å; Q1059-H1099 PolarHBondContact NE2-NE2 2.8Å; Q1059-H1099 VanDerWaalsContact NE2-NE2 3.12Å; Q1059-G1135 WeakPolarHBondContact CG-O 3.48Å; Q1059-G1135 PolarHBondContact NE2-O 3.4Å; Q1059-V1137 HydrophobicContact CB-CG2 3.75Å; Q1059-V1137 HydrophobicContact CG-CG2 4.06Å |
| 1060 | I | 87.8 | Confident | 74.3 | Confident | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.041 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.1 | -32.9 | 174.9 | -66.9 | 170.4 | 0 | 0 | 0 | 111.9 | G1056 K1058 R1064 F1092 L1095 K1096 | G1056-I1060 VanDerWaalsContact O-CB 3.28Å; G1056-I1060 WeakPolarHBondContact O-CB 3.4Å; G1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; G1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; G1056-I1060 PolarHBondContact O-N 3.26Å; G1056-I1060 VanDerWaalsContact O-N 3.07Å; K1058-I1060 VanDerWaalsContact C-N 3.26Å; K1058-I1060 PolarHBondContact O-N 2.82Å; I1060-R1064 WeakPolarHBondContact O-CB 3.47Å; I1060-R1064 VanDerWaalsContact O-CD 3.25Å; I1060-R1064 WeakPolarHBondContact O-CD 3.45Å; I1060-R1064 WeakPolarHBondContact O-CG 3.47Å; I1060-R1064 PolarHBondContact O-N 2.79Å; I1060-F1092 HydrophobicContact CB-CD1 4.22Å; I1060-F1092 HydrophobicContact CD1-CB 4.12Å; I1060-F1092 WeakPolarHBondContact CD1-O 3.38Å; I1060-F1092 HydrophobicContact CG1-CB 4.33Å; I1060-F1092 HydrophobicContact CG1-CD1 3.81Å; I1060-F1092 HydrophobicContact CG1-CG 4.31Å; I1060-F1092 HydrophobicContact CG2-CB 4.41Å; I1060-F1092 HydrophobicContact CG2-CD1 3.81Å; I1060-F1092 HydrophobicContact CG2-CD2 4.35Å; I1060-F1092 HydrophobicContact CG2-CE1 4.11Å; I1060-F1092 HydrophobicContact CG2-CG 3.94Å; I1060-L1095 HydrophobicContact CD1-CB 4.17Å; I1060-L1095 HydrophobicContact CG1-CB 4.18Å; I1060-L1095 HydrophobicContact CG1-CD1 4.21Å; I1060-K1096 HydrophobicContact CD1-CD 4.46Å; I1060-K1096 HydrophobicContact CD1-CG 3.7Å |
| 1061 | S | 87.6 | Confident | 76.6 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 49% | 0.49 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.8 | -34.2 | 173.4 | -59.3 | 0 | 0 | 0 | 0 | 112 | S1057 K1058 Q1059 R1064 S1065 | S1057-S1061 WeakPolarHBondContact O-CB 3.45Å; S1057-S1061 PolarHBondContact O-N 3.3Å; S1057-S1061 PolarHBondContact O-OG 2.83Å; K1058-S1061 CarbonylContact O-C 3.12Å; K1058-S1061 WeakPolarHBondContact O-CA 3.2Å; K1058-S1061 WeakPolarHBondContact O-CB 3.32Å; K1058-S1061 PolarHBondContact O-N 2.91Å; Q1059-S1061 VanDerWaalsContact C-N 3.34Å; Q1059-S1061 PolarHBondContact O-N 2.96Å; S1061-R1064 PolarHBondContact O-N 3.45Å; S1061-S1065 WeakPolarHBondContact O-CB 3.48Å; S1061-S1065 PolarHBondContact O-N 3.05Å |
| 1062 | E | 88.9 | Confident | 78.9 | Confident | 93 Ų | 93 | 64.1 Ų | 64.1 | 44% | 0.435 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.3 | -51.4 | 177.2 | -174.7 | 156.6 | -137.6 | 0 | 0 | 111.5 | K1058 Q1059 R1064 S1065 L1066 | K1058-E1062 WeakPolarHBondContact O-CB 3.35Å; K1058-E1062 PolarHBondContact O-N 2.92Å; Q1059-E1062 PolarHBondContact O-N 2.83Å; E1062-R1064 PolarHBondContact O-N 3.2Å; E1062-S1065 WeakPolarHBondContact O-CA 3.04Å; E1062-S1065 WeakPolarHBondContact O-CB 3.3Å; E1062-S1065 PolarHBondContact O-N 3.37Å; E1062-L1066 HydrophobicContact CG-CD1 4.43Å; E1062-L1066 WeakPolarHBondContact O-CG 3.46Å; E1062-L1066 PolarHBondContact O-N 3.31Å |
| 1063 | I | 87.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -55.7 | -40.8 | 172.8 | -63.9 | 163.2 | 0 | 0 | 0 | 110.8 | Q1059 L1066 L1067 L1088 F1092 L1095 I1129 V1137 | Q1059-I1063 VanDerWaalsContact O-CG1 3.32Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; Q1059-I1063 PolarHBondContact O-N 3.25Å; I1063-L1066 PolarHBondContact O-N 3.14Å; I1063-L1067 WeakPolarHBondContact O-CB 3.36Å; I1063-L1067 PolarHBondContact O-N 3.15Å; I1063-L1088 HydrophobicContact CG2-CD1 4.43Å; I1063-L1088 HydrophobicContact CG2-CD2 4.22Å; I1063-F1092 HydrophobicContact CB-CE1 3.93Å; I1063-F1092 HydrophobicContact CB-CZ 4.47Å; I1063-F1092 HydrophobicContact CD1-CE1 4.06Å; I1063-F1092 HydrophobicContact CG2-CE1 3.73Å; I1063-F1092 HydrophobicContact CG2-CZ 4.01Å; I1063-L1095 HydrophobicContact CD1-CD1 3.63Å; I1063-I1129 HydrophobicContact CG1-CD1 4.25Å; I1063-I1129 HydrophobicContact CG2-CD1 4.2Å; I1063-V1137 HydrophobicContact CD1-CG2 3.71Å; I1063-V1137 HydrophobicContact CG1-CG1 4.07Å; I1063-V1137 HydrophobicContact CG1-CG2 3.74Å |
| 1064 | R | 89.2 | Confident | 83.2 | Confident | 125 Ų | 125 | 59 Ų | 59 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | 176.4 | -73.8 | 168.8 | -177.6 | -171.5 | -4.6 | 113 | I1060 S1061 E1062 Q1068 F1092 | I1060-R1064 WeakPolarHBondContact O-CB 3.47Å; I1060-R1064 VanDerWaalsContact O-CD 3.25Å; I1060-R1064 WeakPolarHBondContact O-CD 3.45Å; I1060-R1064 WeakPolarHBondContact O-CG 3.47Å; I1060-R1064 PolarHBondContact O-N 2.79Å; S1061-R1064 PolarHBondContact O-N 3.45Å; E1062-R1064 PolarHBondContact O-N 3.2Å; R1064-Q1068 WeakPolarHBondContact O-CB 3.49Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; R1064-Q1068 PolarHBondContact O-N 3.12Å; R1064-F1092 HydrophobicContact CG-CE2 4.28Å; R1064-F1092 HydrophobicContact CG-CZ 3.9Å |
| 1065 | S | 88.2 | Confident | 84.7 | Confident | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.5 | -50.4 | 174.5 | -170.1 | 0 | 0 | 0 | 0 | 110.5 | S1061 E1062 L1067 Q1068 V1069 | S1061-S1065 WeakPolarHBondContact O-CB 3.48Å; S1061-S1065 PolarHBondContact O-N 3.05Å; E1062-S1065 WeakPolarHBondContact O-CA 3.04Å; E1062-S1065 WeakPolarHBondContact O-CB 3.3Å; E1062-S1065 PolarHBondContact O-N 3.37Å; S1065-L1067 VanDerWaalsContact C-N 3.34Å; S1065-L1067 PolarHBondContact O-N 2.95Å; S1065-Q1068 PolarHBondContact O-N 2.97Å; S1065-Q1068 VanDerWaalsContact O-N 3.15Å; S1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; S1065-V1069 PolarHBondContact O-N 3.42Å |
| 1066 | L | 87.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 62.7 Ų | 62.7 | 13% | 0.131 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 178.4 | -63.2 | -179.6 | 0 | 0 | 0 | 112.2 | E1062 I1063 V1069 S1070 I1129 Q1139 | E1062-L1066 HydrophobicContact CG-CD1 4.43Å; E1062-L1066 WeakPolarHBondContact O-CG 3.46Å; E1062-L1066 PolarHBondContact O-N 3.31Å; I1063-L1066 PolarHBondContact O-N 3.14Å; L1066-V1069 PolarHBondContact O-N 3.19Å; L1066-S1070 WeakPolarHBondContact O-CB 3.34Å; L1066-S1070 PolarHBondContact O-N 2.89Å; L1066-I1129 HydrophobicContact CD1-CG2 3.48Å; L1066-I1129 VanDerWaalsContact CD1-CG2 3.48Å; L1066-Q1139 HydrophobicContact CD1-CB 4.49Å; L1066-Q1139 HydrophobicContact CD1-CG 4.28Å |
| 1067 | L | 88.2 | Confident | 86.7 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.037 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 171.8 | -170.4 | 72.7 | 0 | 0 | 0 | 111.6 | I1063 S1065 S1070 Y1073 V1084 N1085 L1088 L1127 | I1063-L1067 WeakPolarHBondContact O-CB 3.36Å; I1063-L1067 PolarHBondContact O-N 3.15Å; S1065-L1067 VanDerWaalsContact C-N 3.34Å; S1065-L1067 PolarHBondContact O-N 2.95Å; L1067-S1070 PolarHBondContact O-N 3.3Å; L1067-S1070 PolarHBondContact O-OG 2.89Å; L1067-Y1073 HydrophobicContact CD1-CD1 4.27Å; L1067-Y1073 HydrophobicContact CD1-CD2 3.4Å; L1067-Y1073 HydrophobicContact CD1-CE2 3.87Å; L1067-Y1073 HydrophobicContact CD1-CG 3.62Å; L1067-Y1073 HydrophobicContact CD2-CD2 4.32Å; L1067-Y1073 HydrophobicContact CD2-CE1 4.29Å; L1067-Y1073 HydrophobicContact CD2-CE2 3.96Å; L1067-Y1073 HydrophobicContact CG-CD1 3.86Å; L1067-Y1073 HydrophobicContact CG-CD2 3.8Å; L1067-Y1073 HydrophobicContact CG-CE1 4.02Å; L1067-Y1073 HydrophobicContact CG-CE2 3.94Å; L1067-Y1073 HydrophobicContact CG-CG 3.74Å; L1067-Y1073 WeakPolarHBondContact O-CB 3.44Å; L1067-Y1073 WeakPolarHBondContact O-CD1 3.43Å; L1067-V1084 HydrophobicContact CD1-CG1 3.96Å; L1067-N1085 WeakPolarHBondContact CD2-OD1 3.46Å; L1067-L1088 HydrophobicContact CD1-CD1 3.86Å; L1067-L1088 HydrophobicContact CD2-CD1 3.95Å; L1067-L1088 HydrophobicContact CG-CD1 4.49Å; L1067-L1127 HydrophobicContact CD1-CD1 3.95Å; L1067-L1127 HydrophobicContact CD1-CD2 4.13Å |
| 1068 | Q | 84.1 | Confident | 87.2 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 65% | 0.654 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.7 | -32.3 | 178.8 | -73.5 | 177.4 | -2.8 | 0 | 0 | 113.6 | R1064 S1065 N1074 | R1064-Q1068 WeakPolarHBondContact O-CB 3.49Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; R1064-Q1068 PolarHBondContact O-N 3.12Å; S1065-Q1068 PolarHBondContact O-N 2.97Å; S1065-Q1068 VanDerWaalsContact O-N 3.15Å; Q1068-N1074 PolarHBondContact O-ND2 3.48Å |
| 1069 | V | 86.5 | Confident | 87.3 | Confident | 104 Ų | 104 | 65.5 Ų | 65.5 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -76.2 | -31.8 | 176.1 | 170.6 | 0 | 0 | 0 | 0 | 111.8 | S1065 L1066 N1071 | S1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; S1065-V1069 PolarHBondContact O-N 3.42Å; L1066-V1069 PolarHBondContact O-N 3.19Å; V1069-N1071 PolarHBondContact O-N 2.91Å |
| 1070 | S | 84.5 | Confident | 87.5 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | trans | -64.7 | 126.1 | -172.4 | 73.7 | 0 | 0 | 0 | 0 | 113.4 | L1066 L1067 W1072 Y1073 N1074 L1127 | L1066-S1070 WeakPolarHBondContact O-CB 3.34Å; L1066-S1070 PolarHBondContact O-N 2.89Å; L1067-S1070 PolarHBondContact O-N 3.3Å; L1067-S1070 PolarHBondContact O-OG 2.89Å; S1070-W1072 PolarHBondContact O-N 2.65Å; S1070-Y1073 PolarHBondContact O-N 3.33Å; S1070-Y1073 WeakPolarHBondContact OG-CB 3.4Å; S1070-Y1073 PolarHBondContact OG-N 2.99Å; S1070-N1074 PolarHBondContact O-N 3.45Å; S1070-N1074 VanDerWaalsContact O-N 3.13Å; S1070-N1074 PolarHBondContact O-ND2 3.16Å; S1070-L1127 VanDerWaalsContact OG-CD2 3.27Å; S1070-L1127 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 1071 | N | 85.8 | Confident | 87.6 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.4 | -32.4 | 174.2 | -75.8 | -54.4 | 0 | 0 | 0 | 111.9 | V1069 N1075 | V1069-N1071 PolarHBondContact O-N 2.91Å; N1071-N1075 WeakPolarHBondContact O-CB 3.46Å; N1071-N1075 PolarHBondContact O-N 3.43Å; N1071-N1075 VanDerWaalsContact O-N 3.13Å; N1071-N1075 PolarHBondContact O-ND2 3.32Å |
| 1072 | W | 88.1 | Confident | 87.7 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 20% | 0.197 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -55.3 | 175.9 | 171 | 73.8 | 0 | 0 | 0 | 111.7 | S1070 N1074 N1075 L1076 V1084 I1123 K1126 L1127 L1172 | S1070-W1072 PolarHBondContact O-N 2.65Å; W1072-N1074 VanDerWaalsContact C-N 3.32Å; W1072-N1074 PolarHBondContact O-N 3.43Å; W1072-N1075 PolarHBondContact O-N 3.09Å; W1072-L1076 HydrophobicContact CD2-CD1 4.36Å; W1072-L1076 HydrophobicContact CE3-CD1 4.48Å; W1072-L1076 HydrophobicContact CH2-CD1 3.92Å; W1072-L1076 HydrophobicContact CZ2-CD1 3.77Å; W1072-L1076 HydrophobicContact CZ2-CD2 4.37Å; W1072-L1076 HydrophobicContact CZ2-CG 4.48Å; W1072-L1076 HydrophobicContact CZ3-CD1 4.27Å; W1072-L1076 PolarHBondContact O-N 3.27Å; W1072-V1084 HydrophobicContact CH2-CG1 4.43Å; W1072-V1084 HydrophobicContact CH2-CG2 3.81Å; W1072-V1084 HydrophobicContact CZ3-CG1 4.45Å; W1072-I1123 HydrophobicContact CH2-CB 4.44Å; W1072-I1123 HydrophobicContact CH2-CG1 4.01Å; W1072-K1126 HydrophobicContact CD2-CB 3.48Å; W1072-K1126 VanDerWaalsContact CD2-CB 3.48Å; W1072-K1126 HydrophobicContact CD2-CG 4.04Å; W1072-K1126 HydrophobicContact CE3-CB 3.64Å; W1072-K1126 HydrophobicContact CG-CB 3.92Å; W1072-K1126 HydrophobicContact CG-CD 4.31Å; W1072-K1126 HydrophobicContact CG-CG 4.31Å; W1072-K1126 HydrophobicContact CH2-CB 4.23Å; W1072-K1126 HydrophobicContact CZ2-CB 4.11Å; W1072-K1126 HydrophobicContact CZ2-CG 4.16Å; W1072-K1126 HydrophobicContact CZ3-CB 4.01Å; W1072-L1127 HydrophobicContact CE3-CD2 4.25Å; W1072-L1127 HydrophobicContact CE3-CG 4.49Å; W1072-L1127 HydrophobicContact CZ3-CD2 4.44Å; W1072-L1127 HydrophobicContact CZ3-CG 4.35Å; W1072-L1172 HydrophobicContact CZ2-CD1 4.04Å |
| 1073 | Y | 90.5 | Very high | 87.7 | Confident | 31 Ų | 31 | 68 Ų | 68 | 12% | 0.122 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 179.8 | 178 | -100.9 | 0 | 0 | 0 | 111.3 | L1067 S1070 N1075 L1076 K1081 V1084 N1085 | L1067-Y1073 HydrophobicContact CD1-CD1 4.27Å; L1067-Y1073 HydrophobicContact CD1-CD2 3.4Å; L1067-Y1073 HydrophobicContact CD1-CE2 3.87Å; L1067-Y1073 HydrophobicContact CD1-CG 3.62Å; L1067-Y1073 HydrophobicContact CD2-CD2 4.32Å; L1067-Y1073 HydrophobicContact CD2-CE1 4.29Å; L1067-Y1073 HydrophobicContact CD2-CE2 3.96Å; L1067-Y1073 HydrophobicContact CG-CD1 3.86Å; L1067-Y1073 HydrophobicContact CG-CD2 3.8Å; L1067-Y1073 HydrophobicContact CG-CE1 4.02Å; L1067-Y1073 HydrophobicContact CG-CE2 3.94Å; L1067-Y1073 HydrophobicContact CG-CG 3.74Å; L1067-Y1073 WeakPolarHBondContact O-CB 3.44Å; L1067-Y1073 WeakPolarHBondContact O-CD1 3.43Å; S1070-Y1073 PolarHBondContact O-N 3.33Å; S1070-Y1073 WeakPolarHBondContact OG-CB 3.4Å; S1070-Y1073 PolarHBondContact OG-N 2.99Å; Y1073-N1075 VanDerWaalsContact C-N 3.27Å; Y1073-N1075 PolarHBondContact O-N 3.47Å; Y1073-L1076 HydrophobicContact CD2-CD1 4.23Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.41Å; Y1073-L1076 PolarHBondContact O-N 2.97Å; Y1073-L1076 VanDerWaalsContact O-N 3.1Å; Y1073-K1081 HydrophobicContact CD2-CG 4.22Å; Y1073-K1081 HydrophobicContact CE1-CG 4.46Å; Y1073-K1081 HydrophobicContact CE2-CB 3.93Å; Y1073-K1081 HydrophobicContact CE2-CG 3.77Å; Y1073-K1081 WeakPolarHBondContact O-CE 3.4Å; Y1073-V1084 HydrophobicContact CD2-CG1 4.11Å; Y1073-V1084 HydrophobicContact CE2-CB 4.4Å; Y1073-V1084 HydrophobicContact CE2-CG1 4.22Å; Y1073-N1085 PolarHBondContact OH-ND2 3.23Å; Y1073-N1085 PolarHBondContact OH-OD1 2.84Å |
| 1074 | N | 87.1 | Confident | 88 | Confident | 78 Ų | 78 | 68.5 Ų | 68.5 | 42% | 0.417 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 179.3 | -77.4 | -52.3 | 0 | 0 | 0 | 113.4 | Q1068 S1070 W1072 K1081 | Q1068-N1074 PolarHBondContact O-ND2 3.48Å; S1070-N1074 PolarHBondContact O-N 3.45Å; S1070-N1074 VanDerWaalsContact O-N 3.13Å; S1070-N1074 PolarHBondContact O-ND2 3.16Å; W1072-N1074 VanDerWaalsContact C-N 3.32Å; W1072-N1074 PolarHBondContact O-N 3.43Å; N1074-K1081 PolarHBondContact O-NZ 3.41Å |
| 1075 | N | 87.3 | Confident | 88 | Confident | 136 Ų | 136 | 65.5 Ų | 65.5 | 73% | 0.727 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -82.8 | -7.8 | 176.5 | -74.4 | -64 | 0 | 0 | 0 | 114.9 | N1071 W1072 Y1073 | N1071-N1075 WeakPolarHBondContact O-CB 3.46Å; N1071-N1075 PolarHBondContact O-N 3.43Å; N1071-N1075 VanDerWaalsContact O-N 3.13Å; N1071-N1075 PolarHBondContact O-ND2 3.32Å; W1072-N1075 PolarHBondContact O-N 3.09Å; Y1073-N1075 VanDerWaalsContact C-N 3.27Å; Y1073-N1075 PolarHBondContact O-N 3.47Å |
| 1076 | L | 84.5 | Confident | 88.1 | Confident | 22 Ų | 22 | 65.7 Ų | 65.7 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -67.9 | 144.4 | 175.6 | -72.2 | 176 | 0 | 0 | 0 | 112.3 | W1072 Y1073 N1080 K1081 V1084 | W1072-L1076 HydrophobicContact CD2-CD1 4.36Å; W1072-L1076 HydrophobicContact CE3-CD1 4.48Å; W1072-L1076 HydrophobicContact CH2-CD1 3.92Å; W1072-L1076 HydrophobicContact CZ2-CD1 3.77Å; W1072-L1076 HydrophobicContact CZ2-CD2 4.37Å; W1072-L1076 HydrophobicContact CZ2-CG 4.48Å; W1072-L1076 HydrophobicContact CZ3-CD1 4.27Å; W1072-L1076 PolarHBondContact O-N 3.27Å; Y1073-L1076 HydrophobicContact CD2-CD1 4.23Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.41Å; Y1073-L1076 PolarHBondContact O-N 2.97Å; Y1073-L1076 VanDerWaalsContact O-N 3.1Å; L1076-N1080 HydrophobicContact CB-CB 4.12Å; L1076-N1080 HydrophobicContact CD1-CB 4.38Å; L1076-N1080 HydrophobicContact CD2-CB 4.03Å; L1076-N1080 HydrophobicContact CG-CB 4.41Å; L1076-K1081 HydrophobicContact CB-CG 3.8Å; L1076-K1081 WeakPolarHBondContact O-CD 3.27Å; L1076-K1081 WeakPolarHBondContact O-CE 3.24Å; L1076-K1081 PolarHBondContact O-NZ 3.35Å; L1076-V1084 HydrophobicContact CD1-CG2 3.91Å |
| 1077 | G | 88.8 | Confident | 88.2 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 44% | 0.443 | 35% | 0.353 | S | S | . | . | trans | -62.8 | 159.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1079 N1080 K1081 | G1077-N1079 PolarHBondContact O-N 3.09Å; G1077-N1080 PolarHBondContact O-N 3.43Å; G1077-N1080 VanDerWaalsContact O-N 3.12Å; G1077-K1081 PolarHBondContact O-N 3.11Å | ||
| 1078 | T | 89.1 | Confident | 88.3 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 64% | 0.638 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -55.7 | -45.1 | -176.1 | 45.6 | 0 | 0 | 0 | 0 | 113.1 | N1080 K1081 I1082 | T1078-N1080 VanDerWaalsContact C-N 3.35Å; T1078-N1080 PolarHBondContact O-N 3.2Å; T1078-K1081 PolarHBondContact O-N 3.36Å; T1078-I1082 VanDerWaalsContact O-CG1 3.3Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; T1078-I1082 PolarHBondContact O-N 3.21Å |
| 1079 | N | 88.4 | Confident | 88.6 | Confident | 116 Ų | 116 | 60.9 Ų | 60.9 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.4 | -45.4 | 176.6 | -65 | -20.2 | 0 | 0 | 0 | 111.8 | G1077 I1082 M1083 | G1077-N1079 PolarHBondContact O-N 3.09Å; N1079-I1082 PolarHBondContact O-N 3.3Å; N1079-M1083 WeakPolarHBondContact O-CB 3.43Å; N1079-M1083 PolarHBondContact O-N 3.03Å |
| 1080 | N | 88.1 | Confident | 88.7 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68 | -38 | 178.3 | -59 | 50.4 | 0 | 0 | 0 | 111.4 | L1076 G1077 T1078 M1083 V1084 | L1076-N1080 HydrophobicContact CB-CB 4.12Å; L1076-N1080 HydrophobicContact CD1-CB 4.38Å; L1076-N1080 HydrophobicContact CD2-CB 4.03Å; L1076-N1080 HydrophobicContact CG-CB 4.41Å; G1077-N1080 PolarHBondContact O-N 3.43Å; G1077-N1080 VanDerWaalsContact O-N 3.12Å; T1078-N1080 VanDerWaalsContact C-N 3.35Å; T1078-N1080 PolarHBondContact O-N 3.2Å; N1080-M1083 PolarHBondContact O-N 3.14Å; N1080-V1084 VanDerWaalsContact O-CG2 3.31Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.45Å; N1080-V1084 PolarHBondContact O-N 2.88Å |
| 1081 | K | 91.3 | Very high | 88.9 | Confident | 56 Ų | 56 | 58.8 Ų | 58.8 | 24% | 0.243 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.2 | -73.9 | 173.2 | 170.4 | 145.7 | 0 | 111.9 | Y1073 N1074 L1076 G1077 T1078 V1084 N1085 | Y1073-K1081 HydrophobicContact CD2-CG 4.22Å; Y1073-K1081 HydrophobicContact CE1-CG 4.46Å; Y1073-K1081 HydrophobicContact CE2-CB 3.93Å; Y1073-K1081 HydrophobicContact CE2-CG 3.77Å; Y1073-K1081 WeakPolarHBondContact O-CE 3.4Å; N1074-K1081 PolarHBondContact O-NZ 3.41Å; L1076-K1081 HydrophobicContact CB-CG 3.8Å; L1076-K1081 WeakPolarHBondContact O-CD 3.27Å; L1076-K1081 WeakPolarHBondContact O-CE 3.24Å; L1076-K1081 PolarHBondContact O-NZ 3.35Å; G1077-K1081 PolarHBondContact O-N 3.11Å; T1078-K1081 PolarHBondContact O-N 3.36Å; K1081-V1084 PolarHBondContact O-N 3.33Å; K1081-N1085 WeakPolarHBondContact O-CB 3.39Å; K1081-N1085 VanDerWaalsContact O-CG 3.25Å; K1081-N1085 PolarHBondContact O-N 3.34Å; K1081-N1085 PolarHBondContact O-ND2 2.94Å |
| 1082 | I | 89.4 | Confident | 89.2 | Confident | 106 Ų | 106 | 53.7 Ų | 53.7 | 54% | 0.544 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -46.7 | 175 | -68.6 | 162.7 | 0 | 0 | 0 | 110.2 | T1078 N1079 N1085 Q1086 | T1078-I1082 VanDerWaalsContact O-CG1 3.3Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; T1078-I1082 PolarHBondContact O-N 3.21Å; N1079-I1082 PolarHBondContact O-N 3.3Å; I1082-N1085 PolarHBondContact O-N 3.05Å; I1082-Q1086 WeakPolarHBondContact O-CB 3.43Å; I1082-Q1086 PolarHBondContact O-N 2.78Å |
| 1083 | M | 89 | Confident | 89.1 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.5 | -175.3 | -177 | -64.4 | 0 | 0 | 112.8 | N1079 N1080 N1085 Q1086 Q1087 L1175 | N1079-M1083 WeakPolarHBondContact O-CB 3.43Å; N1079-M1083 PolarHBondContact O-N 3.03Å; N1080-M1083 PolarHBondContact O-N 3.14Å; M1083-N1085 VanDerWaalsContact C-N 3.35Å; M1083-N1085 PolarHBondContact O-N 3Å; M1083-Q1086 PolarHBondContact O-N 3.41Å; M1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; M1083-Q1087 PolarHBondContact O-N 3.22Å; M1083-L1175 HydrophobicContact CE-CB 3.96Å; M1083-L1175 HydrophobicContact CE-CD2 3.93Å; M1083-L1175 HydrophobicContact CE-CG 4.4Å; M1083-L1175 HydrophobicContact SD-CB 4.13Å; M1083-L1175 HydrophobicContact SD-CD1 3.87Å; M1083-L1175 HydrophobicContact SD-CD2 3.78Å; M1083-L1175 HydrophobicContact SD-CG 4.12Å |
| 1084 | V | 92.1 | Very high | 88.8 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -43.4 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | L1067 W1072 Y1073 L1076 N1080 K1081 Q1086 Q1087 L1088 I1123 | L1067-V1084 HydrophobicContact CD1-CG1 3.96Å; W1072-V1084 HydrophobicContact CH2-CG1 4.43Å; W1072-V1084 HydrophobicContact CH2-CG2 3.81Å; W1072-V1084 HydrophobicContact CZ3-CG1 4.45Å; Y1073-V1084 HydrophobicContact CD2-CG1 4.11Å; Y1073-V1084 HydrophobicContact CE2-CB 4.4Å; Y1073-V1084 HydrophobicContact CE2-CG1 4.22Å; L1076-V1084 HydrophobicContact CD1-CG2 3.91Å; N1080-V1084 VanDerWaalsContact O-CG2 3.31Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.45Å; N1080-V1084 PolarHBondContact O-N 2.88Å; K1081-V1084 PolarHBondContact O-N 3.33Å; V1084-Q1086 VanDerWaalsContact C-N 3.32Å; V1084-Q1086 PolarHBondContact O-N 3.11Å; V1084-Q1087 PolarHBondContact O-N 3.05Å; V1084-L1088 HydrophobicContact CG1-CD1 3.89Å; V1084-L1088 HydrophobicContact CG1-CG 4.43Å; V1084-L1088 WeakPolarHBondContact O-CB 3.34Å; V1084-L1088 VanDerWaalsContact O-CG 3.32Å; V1084-L1088 WeakPolarHBondContact O-CG 3.38Å; V1084-L1088 PolarHBondContact O-N 3.49Å; V1084-I1123 HydrophobicContact CB-CD1 4.34Å; V1084-I1123 HydrophobicContact CG1-CD1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG2 4.15Å; V1084-I1123 HydrophobicContact CG2-CD1 4.14Å; V1084-I1123 HydrophobicContact CG2-CG1 4.03Å |
| 1085 | N | 90.7 | Very high | 88.8 | Confident | 62 Ų | 62 | 52 Ų | 52 | 33% | 0.332 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 174.8 | -71.3 | -34.1 | 0 | 0 | 0 | 112.8 | L1067 Y1073 K1081 I1082 M1083 A1089 | L1067-N1085 WeakPolarHBondContact CD2-OD1 3.46Å; Y1073-N1085 PolarHBondContact OH-ND2 3.23Å; Y1073-N1085 PolarHBondContact OH-OD1 2.84Å; K1081-N1085 WeakPolarHBondContact O-CB 3.39Å; K1081-N1085 VanDerWaalsContact O-CG 3.25Å; K1081-N1085 PolarHBondContact O-N 3.34Å; K1081-N1085 PolarHBondContact O-ND2 2.94Å; I1082-N1085 PolarHBondContact O-N 3.05Å; M1083-N1085 VanDerWaalsContact C-N 3.35Å; M1083-N1085 PolarHBondContact O-N 3Å; N1085-A1089 WeakPolarHBondContact O-CB 3.37Å; N1085-A1089 PolarHBondContact O-N 3.46Å |
| 1086 | Q | 90.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 178.3 | -171.4 | 174.2 | 47.4 | 0 | 0 | 112.2 | I1082 M1083 V1084 A1089 | I1082-Q1086 WeakPolarHBondContact O-CB 3.43Å; I1082-Q1086 PolarHBondContact O-N 2.78Å; M1083-Q1086 PolarHBondContact O-N 3.41Å; V1084-Q1086 VanDerWaalsContact C-N 3.32Å; V1084-Q1086 PolarHBondContact O-N 3.11Å; Q1086-A1089 WeakPolarHBondContact O-CB 3.44Å; Q1086-A1089 PolarHBondContact O-N 3.09Å |
| 1087 | Q | 89.5 | Confident | 88.7 | Confident | 26 Ų | 26 | 55.5 Ų | 55.5 | 12% | 0.121 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 172.8 | -65.9 | -67.2 | -28.1 | 0 | 0 | 111.1 | M1083 V1084 A1089 L1090 N1117 T1119 L1120 I1123 | M1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; M1083-Q1087 PolarHBondContact O-N 3.22Å; V1084-Q1087 PolarHBondContact O-N 3.05Å; Q1087-A1089 PolarHBondContact O-N 3.27Å; Q1087-L1090 WeakPolarHBondContact O-CB 3.49Å; Q1087-L1090 PolarHBondContact O-N 3.08Å; Q1087-N1117 PolarHBondContact OE1-ND2 2.91Å; Q1087-T1119 HydrophobicContact CG-CG2 4.01Å; Q1087-L1120 HydrophobicContact CB-CD2 3.86Å; Q1087-I1123 HydrophobicContact CB-CD1 3.74Å; Q1087-I1123 HydrophobicContact CG-CD1 4.29Å |
| 1088 | L | 90.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.8 | -25.7 | 175 | -71.6 | 174.9 | 0 | 0 | 0 | 113.1 | I1063 L1067 V1084 L1090 V1091 F1092 I1123 F1124 | I1063-L1088 HydrophobicContact CG2-CD1 4.43Å; I1063-L1088 HydrophobicContact CG2-CD2 4.22Å; L1067-L1088 HydrophobicContact CD1-CD1 3.86Å; L1067-L1088 HydrophobicContact CD2-CD1 3.95Å; L1067-L1088 HydrophobicContact CG-CD1 4.49Å; V1084-L1088 HydrophobicContact CG1-CD1 3.89Å; V1084-L1088 HydrophobicContact CG1-CG 4.43Å; V1084-L1088 WeakPolarHBondContact O-CB 3.34Å; V1084-L1088 VanDerWaalsContact O-CG 3.32Å; V1084-L1088 WeakPolarHBondContact O-CG 3.38Å; V1084-L1088 PolarHBondContact O-N 3.49Å; L1088-L1090 VanDerWaalsContact C-N 3.28Å; L1088-L1090 PolarHBondContact O-N 3.19Å; L1088-V1091 WeakPolarHBondContact O-CB 3.21Å; L1088-V1091 PolarHBondContact O-N 3.07Å; L1088-F1092 HydrophobicContact CB-CE1 4.47Å; L1088-F1092 HydrophobicContact CB-CE2 4.07Å; L1088-F1092 HydrophobicContact CB-CZ 3.99Å; L1088-F1092 WeakPolarHBondContact O-CD1 3.35Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.28Å; L1088-F1092 WeakPolarHBondContact O-CG 3.07Å; L1088-F1092 PolarHBondContact O-N 3.14Å; L1088-I1123 HydrophobicContact CD1-CG2 4.33Å; L1088-I1123 HydrophobicContact CD2-CG2 4.01Å; L1088-I1123 HydrophobicContact CG-CG2 4.23Å; L1088-F1124 HydrophobicContact CD2-CE2 3.93Å |
| 1089 | A | 89.9 | Confident | 87.9 | Confident | 46 Ų | 46 | 51 Ų | 51 | 38% | 0.38 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.6 | -35.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1085 Q1086 Q1087 F1092 T1093 | N1085-A1089 WeakPolarHBondContact O-CB 3.37Å; N1085-A1089 PolarHBondContact O-N 3.46Å; Q1086-A1089 WeakPolarHBondContact O-CB 3.44Å; Q1086-A1089 PolarHBondContact O-N 3.09Å; Q1087-A1089 PolarHBondContact O-N 3.27Å; A1089-F1092 PolarHBondContact O-N 2.96Å; A1089-T1093 PolarHBondContact O-N 3.44Å; A1089-T1093 PolarHBondContact O-OG1 2.98Å |
| 1090 | L | 88.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 174.1 | -59.6 | 174.7 | 0 | 0 | 0 | 111 | Q1087 L1088 F1092 T1093 E1094 | Q1087-L1090 WeakPolarHBondContact O-CB 3.49Å; Q1087-L1090 PolarHBondContact O-N 3.08Å; L1088-L1090 VanDerWaalsContact C-N 3.28Å; L1088-L1090 PolarHBondContact O-N 3.19Å; L1090-F1092 VanDerWaalsContact C-N 3.29Å; L1090-F1092 PolarHBondContact O-N 3.03Å; L1090-T1093 WeakPolarHBondContact CA-OG1 3.25Å; L1090-T1093 PolarHBondContact O-N 3.44Å; L1090-T1093 PolarHBondContact O-OG1 3.46Å; L1090-E1094 PolarHBondContact O-N 2.99Å; L1090-E1094 VanDerWaalsContact O-N 3.11Å |
| 1091 | V | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 173.3 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | L1088 T1093 E1094 L1095 F1113 I1114 L1120 F1124 | L1088-V1091 WeakPolarHBondContact O-CB 3.21Å; L1088-V1091 PolarHBondContact O-N 3.07Å; V1091-T1093 VanDerWaalsContact C-N 3.27Å; V1091-T1093 PolarHBondContact O-N 3.38Å; V1091-E1094 PolarHBondContact O-N 2.9Å; V1091-L1095 HydrophobicContact CG1-CD1 3.84Å; V1091-L1095 HydrophobicContact CG1-CG 4.21Å; V1091-L1095 WeakPolarHBondContact O-CB 3.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.36Å; V1091-L1095 PolarHBondContact O-N 2.8Å; V1091-F1113 HydrophobicContact CG2-CE2 4.02Å; V1091-F1113 HydrophobicContact CG2-CZ 4.49Å; V1091-I1114 HydrophobicContact CG1-CD1 4.39Å; V1091-L1120 HydrophobicContact CG2-CD1 3.98Å; V1091-L1120 HydrophobicContact CG2-CD2 3.68Å; V1091-F1124 HydrophobicContact CG1-CZ 4.07Å; V1091-F1124 HydrophobicContact CG2-CE2 4.16Å; V1091-F1124 HydrophobicContact CG2-CZ 4.13Å |
| 1092 | F | 91.2 | Very high | 85.4 | Confident | 22 Ų | 22 | 56 Ų | 56 | 10% | 0.096 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -23.5 | 177.1 | -60.3 | -23.6 | 0 | 0 | 0 | 113.4 | I1060 I1063 R1064 L1088 A1089 L1090 K1096 | I1060-F1092 HydrophobicContact CB-CD1 4.22Å; I1060-F1092 HydrophobicContact CD1-CB 4.12Å; I1060-F1092 WeakPolarHBondContact CD1-O 3.38Å; I1060-F1092 HydrophobicContact CG1-CB 4.33Å; I1060-F1092 HydrophobicContact CG1-CD1 3.81Å; I1060-F1092 HydrophobicContact CG1-CG 4.31Å; I1060-F1092 HydrophobicContact CG2-CB 4.41Å; I1060-F1092 HydrophobicContact CG2-CD1 3.81Å; I1060-F1092 HydrophobicContact CG2-CD2 4.35Å; I1060-F1092 HydrophobicContact CG2-CE1 4.11Å; I1060-F1092 HydrophobicContact CG2-CG 3.94Å; I1063-F1092 HydrophobicContact CB-CE1 3.93Å; I1063-F1092 HydrophobicContact CB-CZ 4.47Å; I1063-F1092 HydrophobicContact CD1-CE1 4.06Å; I1063-F1092 HydrophobicContact CG2-CE1 3.73Å; I1063-F1092 HydrophobicContact CG2-CZ 4.01Å; R1064-F1092 HydrophobicContact CG-CE2 4.28Å; R1064-F1092 HydrophobicContact CG-CZ 3.9Å; L1088-F1092 HydrophobicContact CB-CE1 4.47Å; L1088-F1092 HydrophobicContact CB-CE2 4.07Å; L1088-F1092 HydrophobicContact CB-CZ 3.99Å; L1088-F1092 WeakPolarHBondContact O-CD1 3.35Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.28Å; L1088-F1092 WeakPolarHBondContact O-CG 3.07Å; L1088-F1092 PolarHBondContact O-N 3.14Å; A1089-F1092 PolarHBondContact O-N 2.96Å; L1090-F1092 VanDerWaalsContact C-N 3.29Å; L1090-F1092 PolarHBondContact O-N 3.03Å; F1092-K1096 WeakPolarHBondContact O-CB 3.44Å; F1092-K1096 VanDerWaalsContact O-CG 3.27Å; F1092-K1096 WeakPolarHBondContact O-CG 3.5Å; F1092-K1096 PolarHBondContact O-N 3.24Å |
| 1093 | T | 87 | Confident | 84.1 | Confident | 66 Ų | 66 | 55.5 Ų | 55.5 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -77.4 | -42.2 | 171.2 | 47 | 0 | 0 | 0 | 0 | 112.4 | A1089 L1090 V1091 K1096 K1097 | A1089-T1093 PolarHBondContact O-N 3.44Å; A1089-T1093 PolarHBondContact O-OG1 2.98Å; L1090-T1093 WeakPolarHBondContact CA-OG1 3.25Å; L1090-T1093 PolarHBondContact O-N 3.44Å; L1090-T1093 PolarHBondContact O-OG1 3.46Å; V1091-T1093 VanDerWaalsContact C-N 3.27Å; V1091-T1093 PolarHBondContact O-N 3.38Å; T1093-K1096 WeakPolarHBondContact O-CB 3.24Å; T1093-K1096 PolarHBondContact O-N 2.91Å; T1093-K1097 WeakPolarHBondContact O-CG 3.43Å; T1093-K1097 PolarHBondContact O-N 2.94Å |
| 1094 | E | 84.5 | Confident | 82.8 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 29% | 0.285 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | 177.6 | -62.7 | -47.3 | 131.9 | 0 | 0 | 112.4 | L1090 V1091 K1096 K1097 F1098 F1109 F1113 | L1090-E1094 PolarHBondContact O-N 2.99Å; L1090-E1094 VanDerWaalsContact O-N 3.11Å; V1091-E1094 PolarHBondContact O-N 2.9Å; E1094-K1096 PolarHBondContact O-N 2.73Å; E1094-K1097 PolarHBondContact O-N 3.12Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.29Å; E1094-K1097 WeakPolarHBondContact OE1-CE 3.47Å; E1094-K1097 IonicContact OE1-NZ 2.65Å; E1094-K1097 PolarHBondContact OE1-NZ 2.87Å; E1094-K1097 WeakPolarHBondContact OE2-CD 3.19Å; E1094-K1097 IonicContact OE2-NZ 3.53Å; E1094-F1098 WeakPolarHBondContact O-CB 3.36Å; E1094-F1098 PolarHBondContact O-N 3.45Å; E1094-F1109 HydrophobicContact CB-CE2 3.97Å; E1094-F1109 HydrophobicContact CB-CZ 4.39Å; E1094-F1113 HydrophobicContact CB-CE1 3.71Å; E1094-F1113 HydrophobicContact CB-CZ 3.72Å; E1094-F1113 HydrophobicContact CG-CD1 4.24Å; E1094-F1113 HydrophobicContact CG-CE1 3.62Å; E1094-F1113 HydrophobicContact CG-CE2 4.4Å; E1094-F1113 HydrophobicContact CG-CZ 3.71Å |
| 1095 | L | 86.2 | Confident | 81.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.2 | -28.7 | 172.7 | -75.7 | 175.3 | 0 | 0 | 0 | 112.7 | I1060 I1063 V1091 H1099 F1109 V1131 | I1060-L1095 HydrophobicContact CD1-CB 4.17Å; I1060-L1095 HydrophobicContact CG1-CB 4.18Å; I1060-L1095 HydrophobicContact CG1-CD1 4.21Å; I1063-L1095 HydrophobicContact CD1-CD1 3.63Å; V1091-L1095 HydrophobicContact CG1-CD1 3.84Å; V1091-L1095 HydrophobicContact CG1-CG 4.21Å; V1091-L1095 WeakPolarHBondContact O-CB 3.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.36Å; V1091-L1095 PolarHBondContact O-N 2.8Å; L1095-H1099 WeakPolarHBondContact O-CB 3.25Å; L1095-H1099 PolarHBondContact O-N 2.97Å; L1095-H1099 PolarHBondContact O-ND1 3.12Å; L1095-F1109 HydrophobicContact CD2-CD2 4.19Å; L1095-F1109 HydrophobicContact CD2-CE2 3.74Å; L1095-F1109 HydrophobicContact CD2-CZ 4.15Å; L1095-F1109 HydrophobicContact CG-CE2 4.08Å; L1095-F1109 HydrophobicContact CG-CZ 4.36Å; L1095-V1131 HydrophobicContact CD2-CG1 4.07Å |
| 1096 | K | 86 | Confident | 79.9 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 51% | 0.509 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -75.2 | -44.5 | 170.9 | -82.9 | 177.5 | -179.8 | -176.5 | 0 | 112.7 | I1060 F1092 T1093 E1094 Q1100 | I1060-K1096 HydrophobicContact CD1-CD 4.46Å; I1060-K1096 HydrophobicContact CD1-CG 3.7Å; F1092-K1096 WeakPolarHBondContact O-CB 3.44Å; F1092-K1096 VanDerWaalsContact O-CG 3.27Å; F1092-K1096 WeakPolarHBondContact O-CG 3.5Å; F1092-K1096 PolarHBondContact O-N 3.24Å; T1093-K1096 WeakPolarHBondContact O-CB 3.24Å; T1093-K1096 PolarHBondContact O-N 2.91Å; E1094-K1096 PolarHBondContact O-N 2.73Å; K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 VanDerWaalsContact O-CG 3.29Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.41Å; K1096-Q1100 PolarHBondContact O-N 3.22Å; K1096-Q1100 PolarHBondContact O-NE2 2.94Å |
| 1097 | K | 84.3 | Confident | 78.7 | Confident | 114 Ų | 114 | 65.3 Ų | 65.3 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 178.7 | -75.1 | 163.7 | 170.8 | -178.4 | 0 | 110.5 | T1093 E1094 H1099 Q1100 L1101 | T1093-K1097 WeakPolarHBondContact O-CG 3.43Å; T1093-K1097 PolarHBondContact O-N 2.94Å; E1094-K1097 PolarHBondContact O-N 3.12Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.29Å; E1094-K1097 WeakPolarHBondContact OE1-CE 3.47Å; E1094-K1097 IonicContact OE1-NZ 2.65Å; E1094-K1097 PolarHBondContact OE1-NZ 2.87Å; E1094-K1097 WeakPolarHBondContact OE2-CD 3.19Å; E1094-K1097 IonicContact OE2-NZ 3.53Å; K1097-H1099 VanDerWaalsContact C-N 3.34Å; K1097-H1099 PolarHBondContact O-N 3.33Å; K1097-Q1100 PolarHBondContact O-N 3.46Å; K1097-L1101 PolarHBondContact O-N 2.89Å |
| 1098 | F | 81.1 | Confident | 77.9 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 8% | 0.083 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -53.2 | -47.1 | 179.2 | -179.7 | -98.4 | 0 | 0 | 0 | 113 | E1094 Q1100 L1101 K1107 I1108 F1109 N1134 | E1094-F1098 WeakPolarHBondContact O-CB 3.36Å; E1094-F1098 PolarHBondContact O-N 3.45Å; F1098-Q1100 VanDerWaalsContact C-N 3.32Å; F1098-Q1100 PolarHBondContact O-N 2.83Å; F1098-L1101 PolarHBondContact O-N 3.04Å; F1098-K1107 HydrophobicContact CE2-CB 3.74Å; F1098-K1107 HydrophobicContact CE2-CG 4.37Å; F1098-K1107 HydrophobicContact CZ-CB 3.72Å; F1098-K1107 HydrophobicContact CZ-CG 4.46Å; F1098-I1108 VanDerWaalsContact CE2-C 3.43Å; F1098-F1109 HydrophobicContact CB-CD2 4.05Å; F1098-F1109 HydrophobicContact CD1-CD2 4.49Å; F1098-F1109 HydrophobicContact CD2-CB 3.95Å; F1098-F1109 HydrophobicContact CD2-CD2 4.26Å; F1098-F1109 HydrophobicContact CE2-CB 3.85Å; F1098-F1109 VanDerWaalsContact CE2-N 3.27Å; F1098-F1109 HydrophobicContact CG-CB 4.34Å; F1098-F1109 HydrophobicContact CG-CD2 4.01Å; F1098-F1109 HydrophobicContact CZ-CB 4.13Å; F1098-N1134 WeakPolarHBondContact CE1-O 3.44Å |
| 1099 | H | 80.3 | Confident | 77.4 | Confident | 34 Ų | 34 | 70.6 Ų | 70.6 | 16% | 0.157 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -76.7 | -10.2 | 178.5 | -75.6 | 103 | 0 | 0 | 0 | 115.2 | G1056 Q1059 L1095 K1097 | G1056-H1099 VanDerWaalsContact CA-ND1 3.31Å; G1056-H1099 WeakPolarHBondContact CA-ND1 3.19Å; G1056-H1099 PolarHBondContact N-CD2 3.35Å; G1056-H1099 VanDerWaalsContact N-CD2 3.33Å; G1056-H1099 PolarHBondContact N-ND1 2.83Å; Q1059-H1099 PolarHBondContact NE2-CE1 3.04Å; Q1059-H1099 VanDerWaalsContact NE2-CE1 3.27Å; Q1059-H1099 PolarHBondContact NE2-NE2 2.8Å; Q1059-H1099 VanDerWaalsContact NE2-NE2 3.12Å; L1095-H1099 WeakPolarHBondContact O-CB 3.25Å; L1095-H1099 PolarHBondContact O-N 2.97Å; L1095-H1099 PolarHBondContact O-ND1 3.12Å; K1097-H1099 VanDerWaalsContact C-N 3.34Å; K1097-H1099 PolarHBondContact O-N 3.33Å |
| 1100 | Q | 78.4 | Confident | 76.9 | Confident | 147 Ų | 147 | 72.9 Ų | 72.9 | 69% | 0.687 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -90.4 | -17 | 173.6 | -78.4 | 171.8 | 105.9 | 0 | 0 | 113.2 | K1096 K1097 F1098 | K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 VanDerWaalsContact O-CG 3.29Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.41Å; K1096-Q1100 PolarHBondContact O-N 3.22Å; K1096-Q1100 PolarHBondContact O-NE2 2.94Å; K1097-Q1100 PolarHBondContact O-N 3.46Å; F1098-Q1100 VanDerWaalsContact C-N 3.32Å; F1098-Q1100 PolarHBondContact O-N 2.83Å |
| 1101 | L | 69.7 | Low | 76.7 | Confident | 95 Ų | 95 | 71 Ų | 71 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -63 | 142 | 173.9 | -67.5 | 171.1 | 0 | 0 | 0 | 110.5 | K1097 F1098 K1107 | K1097-L1101 PolarHBondContact O-N 2.89Å; F1098-L1101 PolarHBondContact O-N 3.04Å; L1101-K1107 WeakPolarHBondContact O-CE 3.45Å; L1101-K1107 PolarHBondContact O-NZ 3.27Å |
| 1102 | P | 66.4 | Low | 76.3 | Confident | 82 Ų | 82 | 73.3 Ų | 73.3 | 53% | 0.532 | 39% | 0.391 | S | S | . | . | trans | -62.1 | 156 | 174.2 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | D1104 K1107 | P1102-D1104 PolarHBondContact O-N 2.99Å; P1102-K1107 WeakPolarHBondContact O-CE 3.29Å | ||
| 1103 | N | 62.9 | Low | 76 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 51% | 0.513 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.7 | -175.9 | -76.1 | -6.8 | 0 | 0 | 0 | 114 | A1105 K1107 | N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.35Å; N1103-K1107 PolarHBondContact OD1-NZ 3.2Å |
| 1104 | D | 61 | Low | 75.9 | Confident | 154 Ų | 154 | 72.1 Ų | 72.1 | 82% | 0.824 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 12.7 | -170 | -41.9 | -71.6 | 0 | 0 | 0 | 113.2 | P1102 | P1102-D1104 PolarHBondContact O-N 2.99Š|
| 1105 | A | 60.4 | Low | 75.9 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -120.1 | 151.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | N1103 K1107 | N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.35Å; A1105-K1107 PolarHBondContact O-N 3.07Å |
| 1106 | P | 61.2 | Low | 75.9 | Confident | 111 Ų | 111 | 79 Ų | 79 | 72% | 0.721 | 42% | 0.423 | S | S | * | . | trans | -65.5 | 103.3 | 177.4 | 26.9 | -34.1 | 0 | 0 | 0 | 110.6 | I1108 | P1106-I1108 PolarHBondContact O-N 3.45Š| ||
| 1107 | K | 65.2 | Low | 75.8 | Confident | 56 Ų | 56 | 75.4 Ų | 75.4 | 24% | 0.243 | 41% | 0.409 | C | S | . | . | trans | -85.2 | 93.4 | -179.5 | -75.4 | -175.6 | 176.2 | -175.4 | 0 | 110.7 | F1098 L1101 P1102 N1103 A1105 | F1098-K1107 HydrophobicContact CE2-CB 3.74Å; F1098-K1107 HydrophobicContact CE2-CG 4.37Å; F1098-K1107 HydrophobicContact CZ-CB 3.72Å; F1098-K1107 HydrophobicContact CZ-CG 4.46Å; L1101-K1107 WeakPolarHBondContact O-CE 3.45Å; L1101-K1107 PolarHBondContact O-NZ 3.27Å; P1102-K1107 WeakPolarHBondContact O-CE 3.29Å; N1103-K1107 PolarHBondContact OD1-NZ 3.2Å; A1105-K1107 PolarHBondContact O-N 3.07Å | ||
| 1108 | I | 73.2 | Confident | 76 | Confident | 131 Ų | 131 | 74.2 Ų | 74.2 | 67% | 0.672 | 41% | 0.411 | S | S | * | . | trans | -110.1 | 123.7 | 163.8 | -58.4 | 175.1 | 0 | 0 | 0 | 107.2 | F1098 P1106 D1133 | F1098-I1108 VanDerWaalsContact CE2-C 3.43Å; P1106-I1108 PolarHBondContact O-N 3.45Å; I1108-D1133 HydrophobicContact CG2-CB 4.47Å | ||
| 1109 | F | 79.2 | Confident | 76.4 | Confident | 5 Ų | 5 | 74.8 Ų | 74.8 | 2% | 0.022 | 42% | 0.416 | C | S | . | . | trans | -74.9 | 130.6 | 173.3 | 177.1 | -95.3 | 0 | 0 | 0 | 108.6 | E1094 L1095 F1098 V1111 F1113 I1114 V1131 D1133 | E1094-F1109 HydrophobicContact CB-CE2 3.97Å; E1094-F1109 HydrophobicContact CB-CZ 4.39Å; L1095-F1109 HydrophobicContact CD2-CD2 4.19Å; L1095-F1109 HydrophobicContact CD2-CE2 3.74Å; L1095-F1109 HydrophobicContact CD2-CZ 4.15Å; L1095-F1109 HydrophobicContact CG-CE2 4.08Å; L1095-F1109 HydrophobicContact CG-CZ 4.36Å; F1098-F1109 HydrophobicContact CB-CD2 4.05Å; F1098-F1109 HydrophobicContact CD1-CD2 4.49Å; F1098-F1109 HydrophobicContact CD2-CB 3.95Å; F1098-F1109 HydrophobicContact CD2-CD2 4.26Å; F1098-F1109 HydrophobicContact CE2-CB 3.85Å; F1098-F1109 VanDerWaalsContact CE2-N 3.27Å; F1098-F1109 HydrophobicContact CG-CB 4.34Å; F1098-F1109 HydrophobicContact CG-CD2 4.01Å; F1098-F1109 HydrophobicContact CZ-CB 4.13Å; F1109-V1111 VanDerWaalsContact C-N 3.34Å; F1109-V1111 HydrophobicContact CD1-CG2 3.84Å; F1109-V1111 HydrophobicContact CE1-CG2 4.43Å; F1109-V1111 PolarHBondContact O-N 3.04Å; F1109-F1113 HydrophobicContact CE1-CE1 4.09Å; F1109-F1113 HydrophobicContact CE1-CZ 4.44Å; F1109-F1113 HydrophobicContact CE2-CE1 4.31Å; F1109-F1113 AromaticContact CZ-CE1 3.62Å; F1109-F1113 HydrophobicContact CZ-CE1 3.62Å; F1109-F1113 AromaticContact CZ-CZ 3.77Å; F1109-F1113 HydrophobicContact CZ-CZ 3.77Å; F1109-I1114 HydrophobicContact CE1-CD1 3.73Å; F1109-I1114 HydrophobicContact CZ-CD1 4.09Å; F1109-V1131 HydrophobicContact CD1-CG1 3.57Å; F1109-V1131 HydrophobicContact CE1-CB 4.24Å; F1109-V1131 HydrophobicContact CE1-CG1 3.51Å; F1109-V1131 HydrophobicContact CG-CG1 4.18Å; F1109-V1131 HydrophobicContact CZ-CG1 4.07Å; F1109-D1133 PolarHBondContact N-O 3.47Å | ||
| 1110 | D | 80.1 | Confident | 76.7 | Confident | 95 Ų | 95 | 73.2 Ų | 73.2 | 51% | 0.508 | 41% | 0.409 | S | S | . | . | trans | -75.6 | 86.2 | -178.7 | -175.8 | 8.3 | 0 | 0 | 0 | 110.9 | S1112 F1113 | D1110-S1112 VanDerWaalsContact CG-OG 3.3Å; D1110-S1112 PolarHBondContact O-N 3.45Å; D1110-S1112 VanDerWaalsContact O-N 3.14Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-S1112 PolarHBondContact OD1-N 3.21Å; D1110-S1112 PolarHBondContact OD1-OG 3.29Å; D1110-S1112 PolarHBondContact OD2-OG 2.83Å; D1110-F1113 WeakPolarHBondContact O-CD1 3.34Å; D1110-F1113 VanDerWaalsContact O-CE1 3.25Å; D1110-F1113 WeakPolarHBondContact O-CE1 3.33Å | ||
| 1111 | V | 83.1 | Confident | 77.1 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -16.2 | 175.8 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | F1109 F1113 I1114 V1115 | F1109-V1111 VanDerWaalsContact C-N 3.34Å; F1109-V1111 HydrophobicContact CD1-CG2 3.84Å; F1109-V1111 HydrophobicContact CE1-CG2 4.43Å; F1109-V1111 PolarHBondContact O-N 3.04Å; V1111-F1113 PolarHBondContact O-N 2.77Å; V1111-I1114 WeakPolarHBondContact O-CB 3.27Å; V1111-I1114 PolarHBondContact O-N 2.83Å; V1111-I1114 VanDerWaalsContact O-N 3.09Å; V1111-V1115 HydrophobicContact CG1-CG2 3.87Å; V1111-V1115 PolarHBondContact O-N 2.95Å |
| 1112 | S | 81.5 | Confident | 77.8 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.5 | -35 | -173.8 | 81.3 | 0 | 0 | 0 | 0 | 113.4 | D1110 I1114 V1115 N1116 | D1110-S1112 VanDerWaalsContact CG-OG 3.3Å; D1110-S1112 PolarHBondContact O-N 3.45Å; D1110-S1112 VanDerWaalsContact O-N 3.14Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-S1112 PolarHBondContact OD1-N 3.21Å; D1110-S1112 PolarHBondContact OD1-OG 3.29Å; D1110-S1112 PolarHBondContact OD2-OG 2.83Å; S1112-I1114 VanDerWaalsContact C-N 3.26Å; S1112-I1114 PolarHBondContact O-N 2.8Å; S1112-V1115 PolarHBondContact O-N 2.95Å; S1112-N1116 WeakPolarHBondContact O-CB 3.34Å; S1112-N1116 PolarHBondContact O-N 2.86Å; S1112-N1116 PolarHBondContact O-ND2 3.35Å; S1112-N1116 VanDerWaalsContact O-ND2 3.08Å |
| 1113 | F | 85.4 | Confident | 78.9 | Confident | 51 Ų | 51 | 65.8 Ų | 65.8 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.9 | -24.6 | 177.9 | 81.6 | -94.6 | 0 | 0 | 0 | 113 | V1091 E1094 F1109 D1110 V1111 N1117 L1120 | V1091-F1113 HydrophobicContact CG2-CE2 4.02Å; V1091-F1113 HydrophobicContact CG2-CZ 4.49Å; E1094-F1113 HydrophobicContact CB-CE1 3.71Å; E1094-F1113 HydrophobicContact CB-CZ 3.72Å; E1094-F1113 HydrophobicContact CG-CD1 4.24Å; E1094-F1113 HydrophobicContact CG-CE1 3.62Å; E1094-F1113 HydrophobicContact CG-CE2 4.4Å; E1094-F1113 HydrophobicContact CG-CZ 3.71Å; F1109-F1113 HydrophobicContact CE1-CE1 4.09Å; F1109-F1113 HydrophobicContact CE1-CZ 4.44Å; F1109-F1113 HydrophobicContact CE2-CE1 4.31Å; F1109-F1113 AromaticContact CZ-CE1 3.62Å; F1109-F1113 HydrophobicContact CZ-CE1 3.62Å; F1109-F1113 AromaticContact CZ-CZ 3.77Å; F1109-F1113 HydrophobicContact CZ-CZ 3.77Å; D1110-F1113 WeakPolarHBondContact O-CD1 3.34Å; D1110-F1113 VanDerWaalsContact O-CE1 3.25Å; D1110-F1113 WeakPolarHBondContact O-CE1 3.33Å; V1111-F1113 PolarHBondContact O-N 2.77Å; F1113-N1117 WeakPolarHBondContact O-CB 3.36Å; F1113-L1120 HydrophobicContact CD2-CD1 4.16Å; F1113-L1120 HydrophobicContact CE2-CD1 4.21Å |
| 1114 | I | 84.2 | Confident | 80.1 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -76.8 | -44.6 | 173.3 | -55.8 | -175.7 | 0 | 0 | 0 | 109.5 | V1091 F1109 V1111 S1112 N1117 L1120 F1124 V1131 | V1091-I1114 HydrophobicContact CG1-CD1 4.39Å; F1109-I1114 HydrophobicContact CE1-CD1 3.73Å; F1109-I1114 HydrophobicContact CZ-CD1 4.09Å; V1111-I1114 WeakPolarHBondContact O-CB 3.27Å; V1111-I1114 PolarHBondContact O-N 2.83Å; V1111-I1114 VanDerWaalsContact O-N 3.09Å; S1112-I1114 VanDerWaalsContact C-N 3.26Å; S1112-I1114 PolarHBondContact O-N 2.8Å; I1114-N1117 PolarHBondContact O-N 2.73Å; I1114-L1120 HydrophobicContact CG1-CD1 4.49Å; I1114-L1120 HydrophobicContact CG2-CB 4.17Å; I1114-F1124 HydrophobicContact CD1-CE1 3.97Å; I1114-F1124 HydrophobicContact CD1-CZ 3.9Å; I1114-F1124 HydrophobicContact CG2-CD1 4.16Å; I1114-F1124 HydrophobicContact CG2-CD2 4.46Å; I1114-F1124 HydrophobicContact CG2-CE1 4.02Å; I1114-F1124 HydrophobicContact CG2-CE2 4.34Å; I1114-F1124 HydrophobicContact CG2-CG 4.38Å; I1114-F1124 HydrophobicContact CG2-CZ 4.12Å; I1114-V1131 HydrophobicContact CD1-CB 4.35Å |
| 1115 | V | 83.7 | Confident | 81.4 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 47% | 0.473 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.6 | -37.7 | 179.4 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | V1111 S1112 N1117 Q1121 | V1111-V1115 HydrophobicContact CG1-CG2 3.87Å; V1111-V1115 PolarHBondContact O-N 2.95Å; S1112-V1115 PolarHBondContact O-N 2.95Å; V1115-N1117 VanDerWaalsContact C-N 3.26Å; V1115-N1117 PolarHBondContact O-N 2.72Å; V1115-Q1121 PolarHBondContact O-NE2 3.38Å |
| 1116 | N | 85.9 | Confident | 82.6 | Confident | 129 Ų | 129 | 59.5 Ų | 59.5 | 69% | 0.69 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -15.2 | 180 | -69.3 | -28 | 0 | 0 | 0 | 113.4 | S1112 | S1112-N1116 WeakPolarHBondContact O-CB 3.34Å; S1112-N1116 PolarHBondContact O-N 2.86Å; S1112-N1116 PolarHBondContact O-ND2 3.35Å; S1112-N1116 VanDerWaalsContact O-ND2 3.08Å |
| 1117 | N | 85.3 | Confident | 83.7 | Confident | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | trans | -103.9 | 104 | -178.9 | -179.3 | -21 | 0 | 0 | 0 | 110.7 | Q1087 F1113 I1114 V1115 T1119 L1120 Q1121 | Q1087-N1117 PolarHBondContact OE1-ND2 2.91Å; F1113-N1117 WeakPolarHBondContact O-CB 3.36Å; I1114-N1117 PolarHBondContact O-N 2.73Å; V1115-N1117 VanDerWaalsContact C-N 3.26Å; V1115-N1117 PolarHBondContact O-N 2.72Å; N1117-T1119 PolarHBondContact O-N 2.65Å; N1117-T1119 VanDerWaalsContact O-N 3.11Å; N1117-T1119 WeakPolarHBondContact OD1-CA 3.43Å; N1117-T1119 WeakPolarHBondContact OD1-CB 3.22Å; N1117-T1119 PolarHBondContact OD1-N 2.89Å; N1117-L1120 HydrophobicContact CB-CB 4.04Å; N1117-L1120 HydrophobicContact CB-CD1 4Å; N1117-L1120 HydrophobicContact CB-CG 4.13Å; N1117-L1120 PolarHBondContact O-N 3Å; N1117-L1120 PolarHBondContact OD1-N 3.37Å; N1117-L1120 VanDerWaalsContact OD1-N 3.15Å; N1117-Q1121 PolarHBondContact O-N 3.24Å | ||
| 1118 | T | 88.9 | Confident | 84.6 | Confident | 90 Ų | 90 | 55.8 Ų | 55.8 | 55% | 0.552 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -56.1 | -28.3 | 179.2 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | Q1122 | T1118-Q1122 WeakPolarHBondContact O-CB 3.43Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.46Å; T1118-Q1122 PolarHBondContact O-N 3.46Å; T1118-Q1122 VanDerWaalsContact O-N 3.13Å |
| 1119 | T | 87.9 | Confident | 85.2 | Confident | 30 Ų | 30 | 49.9 Ų | 49.9 | 18% | 0.184 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -76.2 | -38.9 | 176.6 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | Q1087 N1117 Q1122 I1123 | Q1087-T1119 HydrophobicContact CG-CG2 4.01Å; N1117-T1119 PolarHBondContact O-N 2.65Å; N1117-T1119 VanDerWaalsContact O-N 3.11Å; N1117-T1119 WeakPolarHBondContact OD1-CA 3.43Å; N1117-T1119 WeakPolarHBondContact OD1-CB 3.22Å; N1117-T1119 PolarHBondContact OD1-N 2.89Å; T1119-Q1122 PolarHBondContact O-N 3.04Å; T1119-I1123 HydrophobicContact CG2-CD1 4.06Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.48Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.13Å; T1119-I1123 PolarHBondContact O-N 3.45Å |
| 1120 | L | 88.2 | Confident | 85.4 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -45 | 172.7 | -74.2 | 177.1 | 0 | 0 | 0 | 111.6 | Q1087 V1091 F1113 I1114 N1117 Q1122 I1123 F1124 | Q1087-L1120 HydrophobicContact CB-CD2 3.86Å; V1091-L1120 HydrophobicContact CG2-CD1 3.98Å; V1091-L1120 HydrophobicContact CG2-CD2 3.68Å; F1113-L1120 HydrophobicContact CD2-CD1 4.16Å; F1113-L1120 HydrophobicContact CE2-CD1 4.21Å; I1114-L1120 HydrophobicContact CG1-CD1 4.49Å; I1114-L1120 HydrophobicContact CG2-CB 4.17Å; N1117-L1120 HydrophobicContact CB-CB 4.04Å; N1117-L1120 HydrophobicContact CB-CD1 4Å; N1117-L1120 HydrophobicContact CB-CG 4.13Å; N1117-L1120 PolarHBondContact O-N 3Å; N1117-L1120 PolarHBondContact OD1-N 3.37Å; N1117-L1120 VanDerWaalsContact OD1-N 3.15Å; L1120-Q1122 VanDerWaalsContact C-N 3.28Å; L1120-Q1122 PolarHBondContact O-N 2.82Å; L1120-I1123 HydrophobicContact CD2-CD1 4.35Å; L1120-I1123 PolarHBondContact O-N 3.15Å; L1120-F1124 HydrophobicContact CD2-CE2 4.17Å; L1120-F1124 WeakPolarHBondContact O-CB 3.37Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.43Å; L1120-F1124 PolarHBondContact O-N 3.21Å |
| 1121 | Q | 84.9 | Confident | 85.6 | Confident | 93 Ų | 93 | 49.8 Ų | 49.8 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -51.3 | -48.1 | 171.7 | -69.3 | -169.9 | -3.1 | 0 | 0 | 111.7 | V1115 N1117 F1124 A1125 | V1115-Q1121 PolarHBondContact O-NE2 3.38Å; N1117-Q1121 PolarHBondContact O-N 3.24Å; Q1121-F1124 PolarHBondContact O-N 2.86Å; Q1121-A1125 VanDerWaalsContact O-CB 3.26Å; Q1121-A1125 WeakPolarHBondContact O-CB 3.32Å; Q1121-A1125 PolarHBondContact O-N 2.91Å |
| 1122 | Q | 85.6 | Confident | 85.4 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.9 | -37.3 | -179.5 | -73.1 | 171.3 | 11.9 | 0 | 0 | 112.8 | T1118 T1119 L1120 K1126 L1172 | T1118-Q1122 WeakPolarHBondContact O-CB 3.43Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.46Å; T1118-Q1122 PolarHBondContact O-N 3.46Å; T1118-Q1122 VanDerWaalsContact O-N 3.13Å; T1119-Q1122 PolarHBondContact O-N 3.04Å; L1120-Q1122 VanDerWaalsContact C-N 3.28Å; L1120-Q1122 PolarHBondContact O-N 2.82Å; Q1122-K1126 WeakPolarHBondContact O-CB 3.35Å; Q1122-K1126 WeakPolarHBondContact O-CG 3.45Å; Q1122-K1126 PolarHBondContact O-N 2.97Å; Q1122-K1126 VanDerWaalsContact O-N 3.09Å; Q1122-L1172 HydrophobicContact CB-CD2 4.43Å; Q1122-L1172 VanDerWaalsContact OE1-CD2 3.29Å |
| 1123 | I | 88.7 | Confident | 85.2 | Confident | 3 Ų | 3 | 51.9 Ų | 51.9 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -49.3 | 173.1 | -70.3 | 160.2 | 0 | 0 | 0 | 110.4 | W1072 V1084 Q1087 L1088 T1119 L1120 K1126 L1127 | W1072-I1123 HydrophobicContact CH2-CB 4.44Å; W1072-I1123 HydrophobicContact CH2-CG1 4.01Å; V1084-I1123 HydrophobicContact CB-CD1 4.34Å; V1084-I1123 HydrophobicContact CG1-CD1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG2 4.15Å; V1084-I1123 HydrophobicContact CG2-CD1 4.14Å; V1084-I1123 HydrophobicContact CG2-CG1 4.03Å; Q1087-I1123 HydrophobicContact CB-CD1 3.74Å; Q1087-I1123 HydrophobicContact CG-CD1 4.29Å; L1088-I1123 HydrophobicContact CD1-CG2 4.33Å; L1088-I1123 HydrophobicContact CD2-CG2 4.01Å; L1088-I1123 HydrophobicContact CG-CG2 4.23Å; T1119-I1123 HydrophobicContact CG2-CD1 4.06Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.48Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.13Å; T1119-I1123 PolarHBondContact O-N 3.45Å; L1120-I1123 HydrophobicContact CD2-CD1 4.35Å; L1120-I1123 PolarHBondContact O-N 3.15Å; I1123-K1126 PolarHBondContact O-N 3.4Å; I1123-L1127 HydrophobicContact CG2-CD1 3.75Å; I1123-L1127 HydrophobicContact CG2-CG 4.48Å; I1123-L1127 WeakPolarHBondContact O-CB 3.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.33Å; I1123-L1127 PolarHBondContact O-N 2.91Å |
| 1124 | F | 88.6 | Confident | 84.5 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 6% | 0.057 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | -176 | -83.1 | -126.8 | 0 | 0 | 0 | 111.4 | L1088 V1091 I1114 L1120 Q1121 K1126 L1127 F1128 I1129 V1131 | L1088-F1124 HydrophobicContact CD2-CE2 3.93Å; V1091-F1124 HydrophobicContact CG1-CZ 4.07Å; V1091-F1124 HydrophobicContact CG2-CE2 4.16Å; V1091-F1124 HydrophobicContact CG2-CZ 4.13Å; I1114-F1124 HydrophobicContact CD1-CE1 3.97Å; I1114-F1124 HydrophobicContact CD1-CZ 3.9Å; I1114-F1124 HydrophobicContact CG2-CD1 4.16Å; I1114-F1124 HydrophobicContact CG2-CD2 4.46Å; I1114-F1124 HydrophobicContact CG2-CE1 4.02Å; I1114-F1124 HydrophobicContact CG2-CE2 4.34Å; I1114-F1124 HydrophobicContact CG2-CG 4.38Å; I1114-F1124 HydrophobicContact CG2-CZ 4.12Å; L1120-F1124 HydrophobicContact CD2-CE2 4.17Å; L1120-F1124 WeakPolarHBondContact O-CB 3.37Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.43Å; L1120-F1124 PolarHBondContact O-N 3.21Å; Q1121-F1124 PolarHBondContact O-N 2.86Å; F1124-K1126 VanDerWaalsContact C-N 3.29Å; F1124-K1126 PolarHBondContact O-N 3.35Å; F1124-L1127 CarbonylContact O-C 3.57Å; F1124-L1127 PolarHBondContact O-N 3.17Å; F1124-L1127 VanDerWaalsContact O-N 3.16Å; F1124-F1128 PolarHBondContact O-N 3.37Å; F1124-I1129 HydrophobicContact CB-CG1 4.29Å; F1124-I1129 HydrophobicContact CD1-CD1 4.32Å; F1124-I1129 HydrophobicContact CD1-CG1 3.89Å; F1124-I1129 WeakPolarHBondContact CD1-O 3.48Å; F1124-I1129 HydrophobicContact CE1-CD1 4.4Å; F1124-I1129 HydrophobicContact CE1-CG1 4.38Å; F1124-I1129 HydrophobicContact CG-CD1 4.42Å; F1124-I1129 HydrophobicContact CG-CG1 4.04Å; F1124-I1129 PolarHBondContact O-N 3.17Å; F1124-V1131 HydrophobicContact CE1-CB 4.48Å; F1124-V1131 HydrophobicContact CE1-CG2 3.88Å; F1124-V1131 HydrophobicContact CZ-CG2 4.39Å |
| 1125 | A | 88 | Confident | 84 | Confident | 69 Ų | 69 | 54 Ų | 54 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -64.4 | -28.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1121 | Q1121-A1125 VanDerWaalsContact O-CB 3.26Å; Q1121-A1125 WeakPolarHBondContact O-CB 3.32Å; Q1121-A1125 PolarHBondContact O-N 2.91Å |
| 1126 | K | 85.7 | Confident | 83.7 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 37% | 0.365 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -86 | -11.8 | 174.9 | -68.8 | -69 | -178.7 | -171.7 | 0 | 114.2 | W1072 Q1122 I1123 F1124 | W1072-K1126 HydrophobicContact CD2-CB 3.48Å; W1072-K1126 VanDerWaalsContact CD2-CB 3.48Å; W1072-K1126 HydrophobicContact CD2-CG 4.04Å; W1072-K1126 HydrophobicContact CE3-CB 3.64Å; W1072-K1126 HydrophobicContact CG-CB 3.92Å; W1072-K1126 HydrophobicContact CG-CD 4.31Å; W1072-K1126 HydrophobicContact CG-CG 4.31Å; W1072-K1126 HydrophobicContact CH2-CB 4.23Å; W1072-K1126 HydrophobicContact CZ2-CB 4.11Å; W1072-K1126 HydrophobicContact CZ2-CG 4.16Å; W1072-K1126 HydrophobicContact CZ3-CB 4.01Å; Q1122-K1126 WeakPolarHBondContact O-CB 3.35Å; Q1122-K1126 WeakPolarHBondContact O-CG 3.45Å; Q1122-K1126 PolarHBondContact O-N 2.97Å; Q1122-K1126 VanDerWaalsContact O-N 3.09Å; I1123-K1126 PolarHBondContact O-N 3.4Å; F1124-K1126 VanDerWaalsContact C-N 3.29Å; F1124-K1126 PolarHBondContact O-N 3.35Å |
| 1127 | L | 84.7 | Confident | 83.5 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -104 | -6 | 174.9 | -68.4 | 176.4 | 0 | 0 | 0 | 113 | L1067 S1070 W1072 I1123 F1124 I1129 | L1067-L1127 HydrophobicContact CD1-CD1 3.95Å; L1067-L1127 HydrophobicContact CD1-CD2 4.13Å; S1070-L1127 VanDerWaalsContact OG-CD2 3.27Å; S1070-L1127 WeakPolarHBondContact OG-CD2 3.35Å; W1072-L1127 HydrophobicContact CE3-CD2 4.25Å; W1072-L1127 HydrophobicContact CE3-CG 4.49Å; W1072-L1127 HydrophobicContact CZ3-CD2 4.44Å; W1072-L1127 HydrophobicContact CZ3-CG 4.35Å; I1123-L1127 HydrophobicContact CG2-CD1 3.75Å; I1123-L1127 HydrophobicContact CG2-CG 4.48Å; I1123-L1127 WeakPolarHBondContact O-CB 3.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.33Å; I1123-L1127 PolarHBondContact O-N 2.91Å; F1124-L1127 CarbonylContact O-C 3.57Å; F1124-L1127 PolarHBondContact O-N 3.17Å; F1124-L1127 VanDerWaalsContact O-N 3.16Å; L1127-I1129 VanDerWaalsContact C-N 3.28Å; L1127-I1129 HydrophobicContact CB-CD1 4.1Å; L1127-I1129 HydrophobicContact CB-CG1 3.93Å; L1127-I1129 HydrophobicContact CB-CG2 4.47Å; L1127-I1129 HydrophobicContact CD1-CD1 3.99Å; L1127-I1129 PolarHBondContact O-N 3.37Å |
| 1128 | F | 83.8 | Confident | 83.1 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 36% | 0.355 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52 | 43.3 | -172.3 | -62.2 | -82.5 | 0 | 0 | 0 | 113.1 | F1124 Q1139 I1140 E1142 | F1124-F1128 PolarHBondContact O-N 3.37Å; F1128-Q1139 CarbonylContact O-C 3.36Å; F1128-Q1139 WeakPolarHBondContact O-CA 3.48Å; F1128-Q1139 WeakPolarHBondContact O-CG 3.39Å; F1128-I1140 HydrophobicContact CB-CB 4.43Å; F1128-I1140 PolarHBondContact O-N 3.37Å; F1128-E1142 HydrophobicContact CE2-CG 3.93Å; F1128-E1142 HydrophobicContact CZ-CG 3.99Å |
| 1129 | I | 85.4 | Confident | 82.4 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 145 | 175.5 | 60.8 | 179.6 | 0 | 0 | 0 | 111.1 | I1063 L1066 F1124 L1127 V1137 | I1063-I1129 HydrophobicContact CG1-CD1 4.25Å; I1063-I1129 HydrophobicContact CG2-CD1 4.2Å; L1066-I1129 HydrophobicContact CD1-CG2 3.48Å; L1066-I1129 VanDerWaalsContact CD1-CG2 3.48Å; F1124-I1129 HydrophobicContact CB-CG1 4.29Å; F1124-I1129 HydrophobicContact CD1-CD1 4.32Å; F1124-I1129 HydrophobicContact CD1-CG1 3.89Å; F1124-I1129 WeakPolarHBondContact CD1-O 3.48Å; F1124-I1129 HydrophobicContact CE1-CD1 4.4Å; F1124-I1129 HydrophobicContact CE1-CG1 4.38Å; F1124-I1129 HydrophobicContact CG-CD1 4.42Å; F1124-I1129 HydrophobicContact CG-CG1 4.04Å; F1124-I1129 PolarHBondContact O-N 3.17Å; L1127-I1129 VanDerWaalsContact C-N 3.28Å; L1127-I1129 HydrophobicContact CB-CD1 4.1Å; L1127-I1129 HydrophobicContact CB-CG1 3.93Å; L1127-I1129 HydrophobicContact CB-CG2 4.47Å; L1127-I1129 HydrophobicContact CD1-CD1 3.99Å; L1127-I1129 PolarHBondContact O-N 3.37Å; I1129-V1137 HydrophobicContact CB-CG1 4.24Å; I1129-V1137 HydrophobicContact CG2-CG1 4.13Å |
| 1130 | F | 84.2 | Confident | 81.6 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 40% | 0.395 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.5 | 154.3 | 65.4 | -83.3 | 0 | 0 | 0 | 110.2 | D1132 V1137 V1138 I1140 | F1130-D1132 HydrophobicContact CD2-CB 4.34Å; F1130-D1132 HydrophobicContact CE2-CB 4.16Å; F1130-V1137 WeakPolarHBondContact O-CA 3.3Å; F1130-V1138 HydrophobicContact CD1-CB 4Å; F1130-V1138 HydrophobicContact CD1-CG1 4.32Å; F1130-V1138 WeakPolarHBondContact CD1-O 3.47Å; F1130-V1138 HydrophobicContact CD2-CB 4.21Å; F1130-V1138 HydrophobicContact CE1-CB 3.55Å; F1130-V1138 HydrophobicContact CE1-CG1 3.48Å; F1130-V1138 VanDerWaalsContact CE1-CG1 3.48Å; F1130-V1138 HydrophobicContact CE2-CB 3.78Å; F1130-V1138 HydrophobicContact CE2-CG1 4.3Å; F1130-V1138 HydrophobicContact CE2-CG2 3.97Å; F1130-V1138 HydrophobicContact CG-CB 4.33Å; F1130-V1138 HydrophobicContact CZ-CB 3.44Å; F1130-V1138 VanDerWaalsContact CZ-CB 3.44Å; F1130-V1138 HydrophobicContact CZ-CG1 3.47Å; F1130-V1138 VanDerWaalsContact CZ-CG1 3.47Å; F1130-V1138 HydrophobicContact CZ-CG2 3.96Å; F1130-V1138 PolarHBondContact N-O 2.8Å; F1130-V1138 PolarHBondContact O-N 3.39Å; F1130-I1140 HydrophobicContact CD1-CD1 3.91Å; F1130-I1140 HydrophobicContact CD1-CG1 3.68Å; F1130-I1140 HydrophobicContact CE1-CD1 4.38Å; F1130-I1140 HydrophobicContact CE1-CG1 3.9Å |
| 1131 | V | 84.1 | Confident | 80.4 | Confident | 9 Ų | 9 | 59.3 Ų | 59.3 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.3 | 164.1 | 172.4 | 0 | 0 | 0 | 0 | 105.5 | L1095 F1109 I1114 F1124 E1136 V1137 | L1095-V1131 HydrophobicContact CD2-CG1 4.07Å; F1109-V1131 HydrophobicContact CD1-CG1 3.57Å; F1109-V1131 HydrophobicContact CE1-CB 4.24Å; F1109-V1131 HydrophobicContact CE1-CG1 3.51Å; F1109-V1131 HydrophobicContact CG-CG1 4.18Å; F1109-V1131 HydrophobicContact CZ-CG1 4.07Å; I1114-V1131 HydrophobicContact CD1-CB 4.35Å; F1124-V1131 HydrophobicContact CE1-CB 4.48Å; F1124-V1131 HydrophobicContact CE1-CG2 3.88Å; F1124-V1131 HydrophobicContact CZ-CG2 4.39Å; V1131-E1136 WeakPolarHBondContact CA-O 3.33Å; V1131-V1137 HydrophobicContact CG2-CG2 3.93Å |
| 1132 | D | 77.9 | Confident | 78.8 | Confident | 32 Ų | 32 | 62 Ų | 62 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | trans | -83.5 | 174.9 | 178.7 | 79.2 | -13.6 | 0 | 0 | 0 | 112.2 | F1130 N1134 G1135 E1136 | F1130-D1132 HydrophobicContact CD2-CB 4.34Å; F1130-D1132 HydrophobicContact CE2-CB 4.16Å; D1132-N1134 PolarHBondContact O-N 3.48Å; D1132-N1134 VanDerWaalsContact O-N 3.09Å; D1132-N1134 VanDerWaalsContact OD1-C 3.3Å; D1132-N1134 WeakPolarHBondContact OD1-CA 3.33Å; D1132-N1134 WeakPolarHBondContact OD1-CB 3.49Å; D1132-N1134 PolarHBondContact OD1-N 2.82Å; D1132-N1134 PolarHBondContact OD2-ND2 3.24Å; D1132-G1135 PolarHBondContact O-N 2.83Å; D1132-G1135 PolarHBondContact OD1-N 2.65Å; D1132-E1136 PolarHBondContact N-O 2.96Å; D1132-E1136 PolarHBondContact OD1-N 3.09Å | ||
| 1133 | D | 77.6 | Confident | 76.5 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 54% | 0.535 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.2 | 177.7 | -58.6 | -30.7 | 0 | 0 | 0 | 112.7 | I1108 F1109 | I1108-D1133 HydrophobicContact CG2-CB 4.47Å; F1109-D1133 PolarHBondContact N-O 3.47Å |
| 1134 | N | 71.9 | Confident | 74.2 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.6 | 176.5 | -49.8 | -70.2 | 0 | 0 | 0 | 113 | F1098 D1132 E1136 | F1098-N1134 WeakPolarHBondContact CE1-O 3.44Å; D1132-N1134 PolarHBondContact O-N 3.48Å; D1132-N1134 VanDerWaalsContact O-N 3.09Å; D1132-N1134 VanDerWaalsContact OD1-C 3.3Å; D1132-N1134 WeakPolarHBondContact OD1-CA 3.33Å; D1132-N1134 WeakPolarHBondContact OD1-CB 3.49Å; D1132-N1134 PolarHBondContact OD1-N 2.82Å; D1132-N1134 PolarHBondContact OD2-ND2 3.24Å; N1134-E1136 VanDerWaalsContact C-N 3.26Å; N1134-E1136 HydrophobicContact CB-CG 4.5Å; N1134-E1136 PolarHBondContact O-N 3.28Å |
| 1135 | G | 73.5 | Confident | 71.6 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | S | Bend | trans | 71.6 | 15.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1059 D1132 | Q1059-G1135 WeakPolarHBondContact CG-O 3.48Å; Q1059-G1135 PolarHBondContact NE2-O 3.4Å; D1132-G1135 PolarHBondContact O-N 2.83Å; D1132-G1135 PolarHBondContact OD1-N 2.65Å |
| 1136 | E | 76.6 | Confident | 69 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | trans | -87.3 | 148.3 | 171.1 | -58.4 | -153 | 145.1 | 0 | 0 | 110.7 | V1131 D1132 N1134 | V1131-E1136 WeakPolarHBondContact CA-O 3.33Å; D1132-E1136 PolarHBondContact N-O 2.96Å; D1132-E1136 PolarHBondContact OD1-N 3.09Å; N1134-E1136 VanDerWaalsContact C-N 3.26Å; N1134-E1136 HydrophobicContact CB-CG 4.5Å; N1134-E1136 PolarHBondContact O-N 3.28Å | ||
| 1137 | V | 81.3 | Confident | 66.7 | Low | 15 Ų | 15 | 82.1 Ų | 82.1 | 9% | 0.091 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109.3 | -178.2 | 173.1 | 0 | 0 | 0 | 0 | 108 | Q1059 I1063 I1129 F1130 V1131 | Q1059-V1137 HydrophobicContact CB-CG2 3.75Å; Q1059-V1137 HydrophobicContact CG-CG2 4.06Å; I1063-V1137 HydrophobicContact CD1-CG2 3.71Å; I1063-V1137 HydrophobicContact CG1-CG1 4.07Å; I1063-V1137 HydrophobicContact CG1-CG2 3.74Å; I1129-V1137 HydrophobicContact CB-CG1 4.24Å; I1129-V1137 HydrophobicContact CG2-CG1 4.13Å; F1130-V1137 WeakPolarHBondContact O-CA 3.3Å; V1131-V1137 HydrophobicContact CG2-CG2 3.93Å |
| 1138 | V | 77.9 | Confident | 64.3 | Low | 57 Ų | 57 | 85.6 Ų | 85.6 | 35% | 0.345 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.9 | 179.4 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | F1130 | F1130-V1138 HydrophobicContact CD1-CB 4Å; F1130-V1138 HydrophobicContact CD1-CG1 4.32Å; F1130-V1138 WeakPolarHBondContact CD1-O 3.47Å; F1130-V1138 HydrophobicContact CD2-CB 4.21Å; F1130-V1138 HydrophobicContact CE1-CB 3.55Å; F1130-V1138 HydrophobicContact CE1-CG1 3.48Å; F1130-V1138 VanDerWaalsContact CE1-CG1 3.48Å; F1130-V1138 HydrophobicContact CE2-CB 3.78Å; F1130-V1138 HydrophobicContact CE2-CG1 4.3Å; F1130-V1138 HydrophobicContact CE2-CG2 3.97Å; F1130-V1138 HydrophobicContact CG-CB 4.33Å; F1130-V1138 HydrophobicContact CZ-CB 3.44Å; F1130-V1138 VanDerWaalsContact CZ-CB 3.44Å; F1130-V1138 HydrophobicContact CZ-CG1 3.47Å; F1130-V1138 VanDerWaalsContact CZ-CG1 3.47Å; F1130-V1138 HydrophobicContact CZ-CG2 3.96Å; F1130-V1138 PolarHBondContact N-O 2.8Å; F1130-V1138 PolarHBondContact O-N 3.39Å |
| 1139 | Q | 75.2 | Confident | 62 | Low | 111 Ų | 111 | 86.7 Ų | 86.7 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 125.7 | 175.7 | -164.9 | 177.1 | 10.4 | 0 | 0 | 110 | L1066 F1128 | L1066-Q1139 HydrophobicContact CD1-CB 4.49Å; L1066-Q1139 HydrophobicContact CD1-CG 4.28Å; F1128-Q1139 CarbonylContact O-C 3.36Å; F1128-Q1139 WeakPolarHBondContact O-CA 3.48Å; F1128-Q1139 WeakPolarHBondContact O-CG 3.39Å |
| 1140 | I | 71.1 | Confident | 59.6 | Low | 82 Ų | 82 | 91.3 Ų | 91.3 | 42% | 0.421 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 132.8 | 175.8 | -51.3 | 179.1 | 0 | 0 | 0 | 108.4 | F1128 F1130 | F1128-I1140 HydrophobicContact CB-CB 4.43Å; F1128-I1140 PolarHBondContact O-N 3.37Å; F1130-I1140 HydrophobicContact CD1-CD1 3.91Å; F1130-I1140 HydrophobicContact CD1-CG1 3.68Å; F1130-I1140 HydrophobicContact CE1-CD1 4.38Å; F1130-I1140 HydrophobicContact CE1-CG1 3.9Å |
| 1141 | P | 62.3 | Low | 57.6 | Low | 100 Ų | 100 | 95.6 Ų | 95.6 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.7 | 170.4 | -25.3 | 35.5 | 0 | 0 | 0 | 112.6 | E1143 | P1141-E1143 PolarHBondContact O-N 2.84Å; P1141-E1143 VanDerWaalsContact O-N 3.11Å |
| 1142 | E | 50.8 | Low | 55.2 | Low | 150 Ų | 150 | 99 Ų | 99 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | trans | -78.4 | 92.8 | -179.2 | -173.6 | 171.3 | -151.1 | 0 | 0 | 110.7 | F1128 P1144 | F1128-E1142 HydrophobicContact CE2-CG 3.93Å; F1128-E1142 HydrophobicContact CZ-CG 3.99Å; E1142-P1144 WeakPolarHBondContact O-CD 3.42Å | ||
| 1143 | E | 37.7 | Very low | 53.3 | Low | 158 Ų | 158 | 101.8 Ų | 101.8 | 74% | 0.738 | 64% | 0.643 | S | S | * | * | trans | -74.7 | 115.9 | 177.8 | -80.9 | -72 | 141.1 | 0 | 0 | 112.4 | P1141 N1145 | P1141-E1143 PolarHBondContact O-N 2.84Å; P1141-E1143 VanDerWaalsContact O-N 3.11Å; E1143-N1145 PolarHBondContact O-N 3.2Å | ||
| 1144 | P | 39.7 | Very low | 51.3 | Low | 123 Ų | 123 | 101 Ų | 101 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | trans | -97.4 | 81.4 | -174.2 | 36.6 | -31.5 | 0 | 0 | 0 | 112.3 | E1142 | E1142-P1144 WeakPolarHBondContact O-CD 3.42Š| ||
| 1145 | N | 33.7 | Very low | 49.6 | Very low | 159 Ų | 159 | 99.8 Ų | 99.8 | 85% | 0.85 | 67% | 0.671 | S | S | * | * | trans | -146.6 | 129.2 | -176.7 | -164.7 | 16.4 | 0 | 0 | 0 | 112.2 | E1143 | E1143-N1145 PolarHBondContact O-N 3.2Š| ||
| 1146 | G | 33.7 | Very low | 47.9 | Very low | 60 Ų | 60 | 106.9 Ų | 106.9 | 62% | 0.619 | 71% | 0.708 | S | S | * | * | cis | -177.6 | 150 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1147 | N | 37.7 | Very low | 46.2 | Very low | 162 Ų | 162 | 106.1 Ų | 106.1 | 87% | 0.866 | 72% | 0.716 | S | S | * | * | trans | -84.9 | 110.6 | 173 | -93.7 | 12.7 | 0 | 0 | 0 | 109.9 | ||||
| 1148 | G | 35.2 | Very low | 44.2 | Very low | 82 Ų | 82 | 109.4 Ų | 109.4 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | trans | -92.1 | 131.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1149 | A | 34.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 110.9 Ų | 110.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -167.8 | 166.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1150 | A | 36.1 | Very low | 40.4 | Very low | 103 Ų | 103 | 109.1 Ų | 109.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | 77.9 | 80.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1151 | L | 40.4 | Very low | 39.1 | Very low | 179 Ų | 179 | 112.6 Ų | 112.6 | 94% | 0.937 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -80.9 | 139.8 | 137.7 | -79.8 | 166.9 | 0 | 0 | 0 | 109.2 | ||
| 1152 | G | 35.5 | Very low | 37.9 | Very low | 82 Ų | 82 | 111.5 Ų | 111.5 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | S | Bend | trans | 71.6 | 88 | 157 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1153 | G | 36.9 | Very low | 37.2 | Very low | 90 Ų | 90 | 108.3 Ų | 108.3 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -76.5 | -170.4 | 179 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1154 | G | 36.4 | Very low | 37 | Very low | 82 Ų | 82 | 105 Ų | 105 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | 155.9 | 77.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1155 | G | 35.9 | Very low | 36.6 | Very low | 81 Ų | 81 | 103.2 Ų | 103.2 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | 70 | 175.2 | 167 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1156 | D | 37 | Very low | 36.7 | Very low | 148 Ų | 148 | 99.1 Ų | 99.1 | 79% | 0.791 | 84% | 0.838 | S | S | * | * | cis | -158.5 | 166.2 | -20.5 | -179.2 | 43.8 | 0 | 0 | 0 | 109.6 | ||||
| 1157 | S | 41.3 | Very low | 36.7 | Very low | 100 Ų | 100 | 99.6 Ų | 99.6 | 70% | 0.699 | 84% | 0.843 | S | S | * | * | trans | 55 | 97.4 | 158.6 | -73.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1158 | G | 39.2 | Very low | 36.4 | Very low | 84 Ų | 84 | 95.9 Ų | 95.9 | 87% | 0.866 | 84% | 0.843 | S | S | * | * | 89.8 | 89.4 | 113.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1159 | G | 37.4 | Very low | 36.6 | Very low | 89 Ų | 89 | 95.1 Ų | 95.1 | 92% | 0.918 | 84% | 0.835 | S | S | * | * | 91.5 | 120.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1160 | G | 36.3 | Very low | 36.9 | Very low | 74 Ų | 74 | 95.9 Ų | 95.9 | 76% | 0.763 | 83% | 0.829 | S | S | * | * | trans | 128.4 | 119.8 | 149 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1161 | V | 42.9 | Very low | 37.1 | Very low | 155 Ų | 155 | 96.9 Ų | 96.9 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | 62.3 | 105.6 | 150.3 | -166.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1162 | G | 37.7 | Very low | 37.5 | Very low | 76 Ų | 76 | 90.6 Ų | 90.6 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | 98.7 | 89.4 | 121.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 1163 | G | 35.3 | Very low | 38.1 | Very low | 83 Ų | 83 | 90.6 Ų | 90.6 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | 75.4 | 96.5 | 143 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1164 | G | 34 | Very low | 38.2 | Very low | 88 Ų | 88 | 92.5 Ų | 92.5 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -73.3 | 149 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1165 | G | 32 | Very low | 38.6 | Very low | 87 Ų | 87 | 90.7 Ų | 90.7 | 90% | 0.897 | 74% | 0.736 | S | S | * | * | trans | -102.9 | -178.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1166 | G | 34.3 | Very low | 38.8 | Very low | 72 Ų | 72 | 91 Ų | 91 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | 179.5 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1167 | G | 34.4 | Very low | 38.9 | Very low | 70 Ų | 70 | 91.2 Ų | 91.2 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 74.6 | 100.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | G1169 | G1167-G1169 PolarHBondContact O-N 3.29Å; G1167-G1169 VanDerWaalsContact O-N 3.09Å | ||
| 1168 | G | 32.4 | Very low | 38.9 | Very low | 85 Ų | 85 | 91.6 Ų | 91.6 | 88% | 0.876 | 72% | 0.722 | S | S | * | * | trans | -70 | 100 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1170 | G1168-V1170 PolarHBondContact O-N 3.2Š| ||
| 1169 | G | 38.9 | Very low | 39 | Very low | 65 Ų | 65 | 90.2 Ų | 90.2 | 67% | 0.67 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 110.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G1167 V1171 | G1167-G1169 PolarHBondContact O-N 3.29Å; G1167-G1169 VanDerWaalsContact O-N 3.09Å; G1169-V1171 PolarHBondContact O-N 3.07Å | ||
| 1170 | V | 39.8 | Very low | 39.4 | Very low | 120 Ų | 120 | 91.4 Ų | 91.4 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | -62.1 | 108.2 | 171 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | G1168 L1172 | G1168-V1170 PolarHBondContact O-N 3.2Å; V1170-L1172 PolarHBondContact O-N 2.7Å | ||
| 1171 | V | 42.2 | Very low | 40 | Very low | 125 Ų | 125 | 91.1 Ų | 91.1 | 76% | 0.758 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 119.6 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 109.3 | G1169 | G1169-V1171 PolarHBondContact O-N 3.07Š|
| 1172 | L | 48.1 | Very low | 40.2 | Very low | 46 Ų | 46 | 85.7 Ų | 85.7 | 24% | 0.241 | 64% | 0.635 | C | S | . | * | P | Polyproline II helix | trans | -55.3 | 129.4 | 162.1 | -84.2 | 140.5 | 0 | 0 | 0 | 108.1 | W1072 Q1122 V1170 | W1072-L1172 HydrophobicContact CZ2-CD1 4.04Å; Q1122-L1172 HydrophobicContact CB-CD2 4.43Å; Q1122-L1172 VanDerWaalsContact OE1-CD2 3.29Å; V1170-L1172 PolarHBondContact O-N 2.7Å |
| 1173 | P | 47.7 | Very low | 41.1 | Very low | 82 Ų | 82 | 87.2 Ų | 87.2 | 53% | 0.532 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 146.6 | 179.1 | 23.7 | -33.8 | 0 | 0 | 0 | 109.9 | L1175 | P1173-L1175 VanDerWaalsContact O-CG 3.29Å; P1173-L1175 WeakPolarHBondContact O-CG 3.41Å; P1173-L1175 PolarHBondContact O-N 2.8Å |
| 1174 | N | 39.1 | Very low | 41.8 | Very low | 130 Ų | 130 | 88.1 Ų | 88.1 | 70% | 0.695 | 62% | 0.616 | S | S | * | * | trans | -70.2 | 88.4 | -158.2 | -169.9 | 3.2 | 0 | 0 | 0 | 113.9 | S1176 | N1174-S1176 PolarHBondContact O-N 3.03Å; N1174-S1176 VanDerWaalsContact O-N 3.13Å; N1174-S1176 VanDerWaalsContact OD1-CB 3.31Å; N1174-S1176 WeakPolarHBondContact OD1-CB 3.44Å; N1174-S1176 PolarHBondContact OD1-N 3.32Å; N1174-S1176 PolarHBondContact OD1-OG 3.29Å | ||
| 1175 | L | 43.9 | Very low | 42.4 | Very low | 44 Ų | 44 | 89.8 Ų | 89.8 | 23% | 0.23 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | 19.2 | 179.9 | -71.6 | 155.7 | 0 | 0 | 0 | 113.3 | M1083 P1173 Q1177 | M1083-L1175 HydrophobicContact CE-CB 3.96Å; M1083-L1175 HydrophobicContact CE-CD2 3.93Å; M1083-L1175 HydrophobicContact CE-CG 4.4Å; M1083-L1175 HydrophobicContact SD-CB 4.13Å; M1083-L1175 HydrophobicContact SD-CD1 3.87Å; M1083-L1175 HydrophobicContact SD-CD2 3.78Å; M1083-L1175 HydrophobicContact SD-CG 4.12Å; P1173-L1175 VanDerWaalsContact O-CG 3.29Å; P1173-L1175 WeakPolarHBondContact O-CG 3.41Å; P1173-L1175 PolarHBondContact O-N 2.8Å; L1175-Q1177 PolarHBondContact O-N 2.96Å |
| 1176 | S | 40.9 | Very low | 43.2 | Very low | 88 Ų | 88 | 92.1 Ų | 92.1 | 62% | 0.615 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -12 | 166.9 | 83.2 | 0 | 0 | 0 | 0 | 112.8 | N1174 | N1174-S1176 PolarHBondContact O-N 3.03Å; N1174-S1176 VanDerWaalsContact O-N 3.13Å; N1174-S1176 VanDerWaalsContact OD1-CB 3.31Å; N1174-S1176 WeakPolarHBondContact OD1-CB 3.44Å; N1174-S1176 PolarHBondContact OD1-N 3.32Å; N1174-S1176 PolarHBondContact OD1-OG 3.29Å |
| 1177 | Q | 40.1 | Very low | 43.8 | Very low | 153 Ų | 153 | 97.8 Ų | 97.8 | 72% | 0.715 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -89.3 | 129 | 161.3 | -67.1 | -174.8 | -6.1 | 0 | 0 | 108.9 | L1175 | L1175-Q1177 PolarHBondContact O-N 2.96Š|
| 1178 | P | 39.3 | Very low | 44 | Very low | 108 Ų | 108 | 100 Ų | 100 | 70% | 0.701 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 130.1 | 171.1 | 27.6 | -32.9 | 0 | 0 | 0 | 108.7 | ||
| 1179 | P | 41.7 | Very low | 44.6 | Very low | 54 Ų | 54 | 101.1 Ų | 101.1 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 127.3 | 178.3 | 24.5 | -32.7 | 0 | 0 | 0 | 109.1 | N1181 L1182 | P1179-N1181 PolarHBondContact O-N 3.42Å; P1179-L1182 HydrophobicContact CG-CD1 3.73Å; P1179-L1182 HydrophobicContact CG-CG 4.11Å |
| 1180 | P | 46.7 | Very low | 45 | Very low | 115 Ų | 115 | 103.5 Ų | 103.5 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 58 | -169.9 | 31.8 | -37 | 0 | 0 | 0 | 112.5 | ||
| 1181 | N | 48.3 | Very low | 45.4 | Very low | 67 Ų | 67 | 103 Ų | 103 | 36% | 0.358 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -158.9 | -8.3 | 175 | -131.1 | -105.4 | 0 | 0 | 0 | 116.6 | P1179 S1183 Q1184 M1185 | P1179-N1181 PolarHBondContact O-N 3.42Å; N1181-S1183 VanDerWaalsContact C-N 3.32Å; N1181-S1183 PolarHBondContact O-N 2.85Å; N1181-Q1184 PolarHBondContact ND2-OE1 3.31Å; N1181-Q1184 WeakPolarHBondContact O-CA 3.32Å; N1181-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1181-Q1184 PolarHBondContact O-N 2.87Å; N1181-Q1184 PolarHBondContact OD1-OE1 3.33Å; N1181-M1185 PolarHBondContact O-N 3.04Å |
| 1182 | L | 48.2 | Very low | 45.3 | Very low | 42 Ų | 42 | 105 Ų | 105 | 22% | 0.22 | 59% | 0.587 | C | S | . | * | H | α-helix | trans | -60.8 | -36 | -173.8 | -80 | 167.8 | 0 | 0 | 0 | 114.2 | P1179 Q1184 M1185 L1186 | P1179-L1182 HydrophobicContact CG-CD1 3.73Å; P1179-L1182 HydrophobicContact CG-CG 4.11Å; L1182-Q1184 PolarHBondContact O-N 3.09Å; L1182-M1185 PolarHBondContact O-N 2.85Å; L1182-L1186 PolarHBondContact O-N 3.37Å; L1182-L1186 VanDerWaalsContact O-N 3.12Å |
| 1183 | S | 55.1 | Low | 45 | Very low | 108 Ų | 108 | 110 Ų | 110 | 76% | 0.755 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.8 | -14.6 | 173.9 | -48.7 | 0 | 0 | 0 | 0 | 114 | N1181 | N1181-S1183 VanDerWaalsContact C-N 3.32Å; N1181-S1183 PolarHBondContact O-N 2.85Å |
| 1184 | Q | 50.1 | Low | 44.5 | Very low | 102 Ų | 102 | 117.2 Ų | 117.2 | 48% | 0.477 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -90.7 | -44.3 | 170.7 | -67.7 | -179.8 | -10.7 | 0 | 0 | 110.2 | N1181 L1182 L1186 R1187 L1188 | N1181-Q1184 PolarHBondContact ND2-OE1 3.31Å; N1181-Q1184 WeakPolarHBondContact O-CA 3.32Å; N1181-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1181-Q1184 PolarHBondContact O-N 2.87Å; N1181-Q1184 PolarHBondContact OD1-OE1 3.33Å; L1182-Q1184 PolarHBondContact O-N 3.09Å; Q1184-L1186 PolarHBondContact O-N 2.85Å; Q1184-L1186 VanDerWaalsContact O-N 3.15Å; Q1184-R1187 CarbonylContact O-C 3.49Å; Q1184-R1187 PolarHBondContact O-N 3.42Å; Q1184-L1188 HydrophobicContact CB-CD1 3.98Å; Q1184-L1188 VanDerWaalsContact O-CD1 3.22Å; Q1184-L1188 WeakPolarHBondContact O-CD1 3.44Å; Q1184-L1188 PolarHBondContact O-N 3.44Å |
| 1185 | M | 47 | Very low | 44.3 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60 | -25.2 | 176.5 | -67.6 | -170.3 | 73.2 | 0 | 0 | 114.4 | N1181 L1182 | N1181-M1185 PolarHBondContact O-N 3.04Å; L1182-M1185 PolarHBondContact O-N 2.85Å |
| 1186 | L | 49.6 | Very low | 44.1 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 4.1 | 173.4 | -80.6 | 154.8 | 0 | 0 | 0 | 114.2 | L1182 Q1184 | L1182-L1186 PolarHBondContact O-N 3.37Å; L1182-L1186 VanDerWaalsContact O-N 3.12Å; Q1184-L1186 PolarHBondContact O-N 2.85Å; Q1184-L1186 VanDerWaalsContact O-N 3.15Å |
| 1187 | R | 45.9 | Very low | 44.3 | Very low | 191 Ų | 191 | 129.4 Ų | 129.4 | 72% | 0.721 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.9 | -6.4 | -178.3 | -157.7 | 171 | -175.5 | 134.2 | 7.3 | 114.4 | Q1184 | Q1184-R1187 CarbonylContact O-C 3.49Å; Q1184-R1187 PolarHBondContact O-N 3.42Å |
| 1188 | L | 40.2 | Very low | 44.3 | Very low | 118 Ų | 118 | 129 Ų | 129 | 62% | 0.618 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -83.6 | 130.4 | 169.7 | -95.2 | 72.7 | 0 | 0 | 0 | 110.4 | Q1184 | Q1184-L1188 HydrophobicContact CB-CD1 3.98Å; Q1184-L1188 VanDerWaalsContact O-CD1 3.22Å; Q1184-L1188 WeakPolarHBondContact O-CD1 3.44Å; Q1184-L1188 PolarHBondContact O-N 3.44Å |
| 1189 | P | 44.3 | Very low | 44.1 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 148.2 | 159 | 30.2 | -33.4 | 0 | 0 | 0 | 109.3 | ||
| 1190 | P | 47.3 | Very low | 43.8 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 75% | 0.747 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 134.4 | -176.2 | 26.3 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 1191 | P | 48.6 | Very low | 43.5 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 140.4 | 171.4 | 28.3 | -33.9 | 0 | 0 | 0 | 110.4 | I1193 | P1191-I1193 PolarHBondContact O-N 3.4Š|
| 1192 | N | 39.5 | Very low | 43.4 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -68.3 | 88.5 | -175.9 | -87.5 | -47.4 | 0 | 0 | 0 | 112.8 | R1194 | N1192-R1194 PolarHBondContact O-N 2.67Š| ||
| 1193 | I | 42.4 | Very low | 43.2 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | -76 | 116.6 | 164.1 | -63.2 | 178.3 | 0 | 0 | 0 | 108.5 | P1191 M1195 | P1191-I1193 PolarHBondContact O-N 3.4Å; I1193-M1195 PolarHBondContact O-N 3.41Å | ||
| 1194 | R | 36.9 | Very low | 42.7 | Very low | 233 Ų | 233 | 145 Ų | 145 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | trans | -71.9 | 114.6 | 173.9 | -77.9 | 174.1 | 162.2 | 170 | -6.6 | 111 | N1192 | N1192-R1194 PolarHBondContact O-N 2.67Š| ||
| 1195 | M | 35.2 | Very low | 42.2 | Very low | 158 Ų | 158 | 148.5 Ų | 148.5 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -137.3 | 108.1 | 147.5 | -79.7 | -61.3 | -172.8 | 0 | 0 | 107.6 | I1193 | I1193-M1195 PolarHBondContact O-N 3.41Š| ||
| 1196 | L | 39.8 | Very low | 41.8 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | 59.2 | 106.4 | 103.4 | -86.4 | 66.6 | 0 | 0 | 0 | 112.5 | |||||
| 1197 | R | 44 | Very low | 41.1 | Very low | 227 Ų | 227 | 146.9 Ų | 146.9 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | 62.8 | 100.8 | 52.3 | -167.5 | -163.7 | -168.7 | -175.3 | 5.8 | 112.8 | |||||
| 1198 | M | 39.4 | Very low | 40.7 | Very low | 144 Ų | 144 | 144.9 Ų | 144.9 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | trans | -156.1 | 123.8 | 144.5 | -89.3 | -45.9 | 149.5 | 0 | 0 | 113.9 | ||||
| 1199 | S | 36 | Very low | 40.5 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | 168.6 | 101.6 | 148.5 | -81.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1200 | G | 35.1 | Very low | 40.8 | Very low | 58 Ų | 58 | 143.4 Ų | 143.4 | 60% | 0.598 | 79% | 0.787 | S | S | * | * | cis | -174.4 | -165.5 | -4.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1201 | M | 41.6 | Very low | 40.7 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 95% | 0.951 | 79% | 0.787 | S | S | * | * | trans | 67.5 | 139.6 | 175.8 | -69.4 | 175 | 171 | 0 | 0 | 116.1 | ||||
| 1202 | M | 45 | Very low | 39.8 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -162.5 | 149.2 | -15.4 | -153.9 | -176.7 | -179.4 | 0 | 0 | 109.9 | ||||
| 1203 | M | 45.1 | Very low | 39.5 | Very low | 152 Ų | 152 | 145 Ų | 145 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 165.1 | 165.4 | -62 | -149.1 | -170.7 | 0 | 0 | 119.5 | ||||
| 1204 | Q | 43.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | cis | -170.3 | 137.5 | -38.3 | 176.8 | 158.5 | -31 | 0 | 0 | 112.2 | ||||
| 1205 | M | 40.5 | Very low | 40 | Very low | 177 Ų | 177 | 138 Ų | 138 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 74.1 | 146.9 | 161.6 | -74.1 | -69.5 | -179.8 | 0 | 0 | 123.1 | ||||
| 1206 | G | 37.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | trans | 80.8 | 112.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1207 | N | 34.4 | Very low | 40.6 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | cis | 73 | 90.9 | 1.9 | -166.2 | 86.2 | 0 | 0 | 0 | 119.7 | ||||
| 1208 | V | 38.1 | Very low | 40.2 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | trans | -152.7 | 160.8 | 133.8 | -106.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1209 | G | 35.9 | Very low | 40 | Very low | 69 Ų | 69 | 132.9 Ų | 132.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | trans | -123.4 | -151.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1210 | P | 51.8 | Low | 39.9 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | trans | -85.3 | -171.1 | -166.8 | 40.9 | -41.3 | 0 | 0 | 0 | 112.6 | ||||
| 1211 | P | 44.5 | Very low | 40.3 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -141.7 | -131.4 | 15.7 | 42.3 | -18.2 | 0 | 0 | 0 | 114.9 | ||||
| 1212 | F | 29.6 | Very low | 40.2 | Very low | 188 Ų | 188 | 135 Ų | 135 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 76.3 | 150.8 | 177.4 | -103.2 | -121.1 | 0 | 0 | 0 | 116.9 | ||||
| 1213 | N | 32.5 | Very low | 40.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 66% | 0.658 | 78% | 0.78 | S | S | * | * | cis | -165.9 | -176.8 | -33 | -148.8 | -24.7 | 0 | 0 | 0 | 110.5 | ||||
| 1214 | Q | 34.6 | Very low | 40.1 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 61% | 0.612 | 79% | 0.786 | S | S | * | * | trans | -70.9 | 172.1 | -179.2 | -108.4 | 175.7 | -21.8 | 0 | 0 | 115.4 | E467 | E467-Q1214 PolarHBondContact OE1-NE2 3.14Š| ||
| 1215 | P | 55.5 | Low | 40.3 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -85.3 | 174 | -160.2 | 36.6 | -40 | 0 | 0 | 0 | 115.7 | ||||
| 1216 | P | 42.8 | Very low | 40.7 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | -147.7 | -146.2 | 118.1 | 45.1 | -26.3 | 0 | 0 | 0 | 113.9 | |||||
| 1217 | P | 45.7 | Very low | 40.8 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | -142.4 | -173.8 | -120.4 | 39.4 | -13.9 | 0 | 0 | 0 | 119.9 | |||||
| 1218 | R | 34.8 | Very low | 41.2 | Very low | 241 Ų | 241 | 127.4 Ų | 127.4 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 86.7 | 121.3 | 155.2 | -59.4 | 175.1 | 82.6 | 156.4 | 5.5 | 122.1 | ||||
| 1219 | G | 34.5 | Very low | 41.3 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | 94.5 | 137.3 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1220 | G | 34.2 | Very low | 41.5 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | cis | -166.5 | 165.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1221 | L | 43.5 | Very low | 40.9 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | 168 | 139.2 | 88.9 | 178.2 | 65.8 | 0 | 0 | 0 | 109.5 | |||||
| 1222 | M | 39.2 | Very low | 40.6 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | 60.2 | 135 | 173.6 | -59.6 | -94.8 | -162 | 0 | 0 | 118 | ||||
| 1223 | G | 43.4 | Very low | 41 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | cis | 174.9 | 122.3 | -12.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1224 | M | 45.7 | Very low | 41.2 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | 36.7 | 153.9 | 135.8 | -65.4 | -79.5 | 89.7 | 0 | 0 | 123.2 | ||||
| 1225 | P | 46.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | cis | -139.7 | -135.3 | -27.6 | 45.5 | -23.8 | 0 | 0 | 0 | 112.8 | ||||
| 1226 | P | 48.8 | Very low | 40.4 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | trans | -134.6 | -155.4 | -138.5 | 39.5 | -12.8 | 0 | 0 | 0 | 116.7 | ||||
| 1227 | N | 40.8 | Very low | 40 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | 83.2 | 145.6 | 165.2 | -151.2 | 46.2 | 0 | 0 | 0 | 116.3 | ||||
| 1228 | G | 42.7 | Very low | 39.7 | Very low | 55 Ų | 55 | 132.3 Ų | 132.3 | 57% | 0.567 | 81% | 0.808 | S | S | * | * | cis | 173.4 | 175.4 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1229 | N | 40 | Very low | 39.8 | Very low | 170 Ų | 170 | 124.3 Ų | 124.3 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | 64.4 | 152 | 174.5 | -61.5 | -8.6 | 0 | 0 | 0 | 118.5 | ||||
| 1230 | G | 40.5 | Very low | 40 | Very low | 64 Ų | 64 | 123.7 Ų | 123.7 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | cis | 160.7 | 150.1 | -13.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1231 | L | 38.7 | Very low | 40.2 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | trans | 66.9 | 163.9 | 163.7 | -58.3 | 164.8 | 0 | 0 | 0 | 119.1 | ||||
| 1232 | N | 37.9 | Very low | 39.9 | Very low | 117 Ų | 117 | 124.8 Ų | 124.8 | 63% | 0.626 | 80% | 0.801 | S | S | * | * | 175.9 | 137.9 | -52.6 | 176.7 | 25.9 | 0 | 0 | 0 | 109 | |||||
| 1233 | Q | 38.8 | Very low | 39.9 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | 62.2 | 154.2 | 177.7 | -71.2 | 160.6 | 97.5 | 0 | 0 | 116.6 | ||||
| 1234 | G | 37.3 | Very low | 39.6 | Very low | 60 Ų | 60 | 128 Ų | 128 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | cis | 166 | 162.7 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1235 | V | 34.2 | Very low | 39.1 | Very low | 162 Ų | 162 | 122.9 Ų | 122.9 | 98% | 0.982 | 79% | 0.792 | S | S | * | * | trans | 51.7 | 135 | 164 | -63.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1236 | G | 37.8 | Very low | 38.7 | Very low | 83 Ų | 83 | 125.5 Ų | 125.5 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 160.2 | 131.1 | 163 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1237 | N | 35.2 | Very low | 38.2 | Very low | 155 Ų | 155 | 125.9 Ų | 125.9 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | trans | -144.9 | 121.6 | 179.7 | 168.9 | 48.7 | 0 | 0 | 0 | 111.9 | ||||
| 1238 | L | 39.7 | Very low | 38.4 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | trans | -179.9 | 153.8 | 162.1 | -124.7 | 68.9 | 0 | 0 | 0 | 107.6 | ||||
| 1239 | G | 36.3 | Very low | 38.2 | Very low | 74 Ų | 74 | 127.9 Ų | 127.9 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | cis | 156.5 | 94 | -13 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1240 | G | 38.8 | Very low | 38.1 | Very low | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 98.9 | 158.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1241 | L | 39.2 | Very low | 37.8 | Very low | 184 Ų | 184 | 124.5 Ų | 124.5 | 96% | 0.963 | 81% | 0.81 | S | S | * | * | trans | 67.8 | 139.7 | 176.2 | -43.4 | 179.5 | 0 | 0 | 0 | 114.4 | ||||
| 1242 | G | 37.3 | Very low | 38 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | cis | 123.8 | 139.6 | 13.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1243 | Q | 38.1 | Very low | 38.3 | Very low | 168 Ų | 168 | 123.5 Ų | 123.5 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | cis | -165.8 | 160.5 | 2.9 | -166.3 | -159.3 | -0.6 | 0 | 0 | 108.9 | ||||
| 1244 | L | 36.9 | Very low | 38.5 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | 70.1 | 157.6 | 169 | -48.2 | 178.4 | 0 | 0 | 0 | 117.4 | ||||
| 1245 | G | 36 | Very low | 38.3 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 178.4 | -51.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1246 | I | 38.7 | Very low | 38.4 | Very low | 160 Ų | 160 | 121 Ų | 121 | 82% | 0.821 | 81% | 0.811 | S | S | * | * | trans | 58.1 | 134.8 | 175.9 | -36.4 | -178.6 | 0 | 0 | 0 | 118.7 | ||||
| 1247 | N | 37.6 | Very low | 38.6 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 67% | 0.674 | 82% | 0.816 | S | S | * | * | trans | 87.4 | 127 | 152.7 | -100.8 | -27.6 | 0 | 0 | 0 | 122.1 | ||||
| 1248 | Q | 44.8 | Very low | 38.8 | Very low | 178 Ų | 178 | 122.6 Ų | 122.6 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | 35.1 | 134.6 | 144 | -67 | 170.8 | 72 | 0 | 0 | 120.8 | ||||
| 1249 | G | 37.8 | Very low | 38.6 | Very low | 81 Ų | 81 | 122.9 Ų | 122.9 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | cis | 146.8 | 110.1 | 1.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1250 | G | 38.4 | Very low | 38.7 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -163.3 | -169.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1251 | G | 35.4 | Very low | 39.1 | Very low | 74 Ų | 74 | 127.5 Ų | 127.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | trans | 175.6 | -171.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1252 | P | 42.6 | Very low | 38.9 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | cis | -119.2 | 153.9 | -8 | 38.3 | -25.8 | 0 | 0 | 0 | 113.2 | ||||
| 1253 | V | 43.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | trans | -154.5 | 162.7 | 169.4 | -98.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1254 | P | 42.3 | Very low | 38.7 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -114 | 177.6 | -141.2 | 43.1 | -38.5 | 0 | 0 | 0 | 116.5 | ||||
| 1255 | N | 33.7 | Very low | 38.7 | Very low | 169 Ų | 169 | 123.8 Ų | 123.8 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | trans | 44.6 | 92.6 | 145.4 | -163.7 | 24 | 0 | 0 | 0 | 118.1 | ||||
| 1256 | G | 37.2 | Very low | 38.7 | Very low | 62 Ų | 62 | 127.8 Ų | 127.8 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 178.7 | 130.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P1258 | G1256-P1258 VanDerWaalsContact O-CD 3.3Å; G1256-P1258 WeakPolarHBondContact O-CD 3.4Å | ||
| 1257 | N | 40.8 | Very low | 38.7 | Very low | 178 Ų | 178 | 123.5 Ų | 123.5 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | trans | -114.5 | 93.1 | -178.1 | -142.2 | 33.4 | 0 | 0 | 0 | 110.8 | ||||
| 1258 | P | 40 | Very low | 38.6 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 61% | 0.61 | 80% | 0.803 | S | S | * | * | trans | -117.9 | 173.3 | 171 | 38.1 | -28 | 0 | 0 | 0 | 113.9 | G1256 | G1256-P1258 VanDerWaalsContact O-CD 3.3Å; G1256-P1258 WeakPolarHBondContact O-CD 3.4Å | ||
| 1259 | F | 34.8 | Very low | 38.2 | Very low | 178 Ų | 178 | 117.2 Ų | 117.2 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 75.8 | 70.5 | 171.2 | -57.9 | -66.6 | 0 | 0 | 0 | 118.9 | ||||
| 1260 | N | 39.7 | Very low | 38.2 | Very low | 156 Ų | 156 | 118.8 Ų | 118.8 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | -76.1 | 128.4 | 124.3 | 178.1 | 33.2 | 0 | 0 | 0 | 109.3 | |||||
| 1261 | P | 45.5 | Very low | 38.2 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 57% | 0.571 | 80% | 0.799 | S | S | * | * | trans | -133.6 | 142.6 | 156.7 | 35.3 | -20.9 | 0 | 0 | 0 | 115 | ||||
| 1262 | F | 36.8 | Very low | 38.4 | Very low | 204 Ų | 204 | 120.6 Ų | 120.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -26.4 | 143.3 | 154.5 | -54.5 | -104.4 | 0 | 0 | 0 | 114 | ||||
| 1263 | G | 33.4 | Very low | 38.6 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | cis | 107.8 | 107.9 | 17.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1264 | G | 36.3 | Very low | 38.4 | Very low | 77 Ų | 77 | 123 Ų | 123 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 151 | 89.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1265 | N | 37.8 | Very low | 38 | Very low | 148 Ų | 148 | 123.7 Ų | 123.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 46 | 105.5 | 126.2 | -168.7 | 72.2 | 0 | 0 | 0 | 122.4 | |||||
| 1266 | N | 35.4 | Very low | 38.6 | Very low | 155 Ų | 155 | 123.1 Ų | 123.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | 75.5 | 148 | 130.8 | -161.2 | 24.7 | 0 | 0 | 0 | 121.2 | ||||
| 1267 | G | 38.6 | Very low | 38.6 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 92.3 | 131 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1268 | G | 35.8 | Very low | 38.5 | Very low | 90 Ų | 90 | 125.3 Ų | 125.3 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | cis | 138.1 | 92.6 | -2.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1269 | G | 35.6 | Very low | 38.5 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | -179.8 | 130 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1270 | A | 38.5 | Very low | 38.6 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 95% | 0.95 | 81% | 0.809 | S | S | * | * | trans | -85.2 | 145.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1271 | G | 38.6 | Very low | 38.4 | Very low | 68 Ų | 68 | 125 Ų | 125 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | trans | 175.6 | 120.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1272 | V | 40.1 | Very low | 38.1 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 80% | 0.8 | 83% | 0.826 | S | S | * | * | trans | 60.4 | 92.4 | 150.1 | -166.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1273 | M | 45.9 | Very low | 38.1 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | 51.7 | 121.7 | 129.3 | -59.2 | 174.1 | 177.5 | 0 | 0 | 121.7 | |||||
| 1274 | N | 38.9 | Very low | 38.4 | Very low | 157 Ų | 157 | 128.7 Ų | 128.7 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | trans | 70.1 | 148.5 | 150.8 | -59.2 | -15.2 | 0 | 0 | 0 | 119.2 | ||||
| 1275 | N | 35.7 | Very low | 38.6 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | cis | -153.6 | 156.3 | -37.4 | -166.7 | 21 | 0 | 0 | 0 | 109 | N1277 | N1275-N1277 PolarHBondContact O-N 3.07Š| ||
| 1276 | M | 44.7 | Very low | 38.5 | Very low | 158 Ų | 158 | 131 Ų | 131 | 78% | 0.778 | 83% | 0.825 | S | S | * | * | trans | -14.9 | 109.4 | 170 | -64.4 | 163.3 | 178 | 0 | 0 | 117.2 | ||||
| 1277 | N | 37.1 | Very low | 38.8 | Very low | 165 Ų | 165 | 130 Ų | 130 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | -166.3 | 118.7 | 97.3 | -100 | -11.3 | 0 | 0 | 0 | 112.5 | N1275 | N1275-N1277 PolarHBondContact O-N 3.07Š| |||
| 1278 | S | 39.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 134.2 Ų | 134.2 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | trans | -117.5 | 104.6 | 168.1 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1279 | M | 38.9 | Very low | 38.8 | Very low | 189 Ų | 189 | 139 Ų | 139 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | trans | -174.9 | 92.2 | 148.7 | -107 | 179.9 | -179.5 | 0 | 0 | 109.1 | ||||
| 1280 | G | 37.3 | Very low | 38.9 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | trans | -91 | 167.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1281 | N | 35.4 | Very low | 38.9 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 58.7 | 79.1 | 156.2 | -167.5 | 35.2 | 0 | 0 | 0 | 117.9 | ||||
| 1282 | M | 40.6 | Very low | 39 | Very low | 185 Ų | 185 | 146.5 Ų | 146.5 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -134.3 | 129.7 | 144.9 | -76.8 | -161.4 | 175.6 | 0 | 0 | 110 | ||||
| 1283 | G | 35 | Very low | 38.9 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 140.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1285 | G1283-G1285 PolarHBondContact O-N 3.01Š| ||
| 1284 | M | 41.3 | Very low | 38.7 | Very low | 189 Ų | 189 | 139.2 Ų | 139.2 | 93% | 0.931 | 80% | 0.803 | S | S | * | * | trans | -80.1 | 104.7 | 174.7 | -69.9 | -169.8 | 176.7 | 0 | 0 | 110.9 | ||||
| 1285 | G | 39.1 | Very low | 38.7 | Very low | 61 Ų | 61 | 144.1 Ų | 144.1 | 63% | 0.629 | 81% | 0.81 | S | S | * | * | trans | -71.5 | 141.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1283 N1287 | G1283-G1285 PolarHBondContact O-N 3.01Å; G1285-N1287 PolarHBondContact O-N 3.25Å; G1285-N1287 VanDerWaalsContact O-N 3.1Å | ||
| 1286 | F | 37.1 | Very low | 38.8 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -70.1 | 101.5 | 178.2 | -70.6 | -92.3 | 0 | 0 | 0 | 111.7 | N1288 | F1286-N1288 PolarHBondContact O-N 3.47Š| ||
| 1287 | N | 41.4 | Very low | 38.7 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -85.6 | 105.7 | 173.1 | -82.4 | -23.9 | 0 | 0 | 0 | 111.5 | G1285 F1289 | G1285-N1287 PolarHBondContact O-N 3.25Å; G1285-N1287 VanDerWaalsContact O-N 3.1Å; N1287-F1289 HydrophobicContact CB-CD2 4.17Å; N1287-F1289 HydrophobicContact CB-CE2 3.86Å; N1287-F1289 PolarHBondContact O-N 3.36Å | ||
| 1288 | N | 33.4 | Very low | 38.9 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -75.4 | 101.7 | 174.9 | -176.1 | 12.5 | 0 | 0 | 0 | 110.7 | F1286 N1290 | F1286-N1288 PolarHBondContact O-N 3.47Å; N1288-N1290 PolarHBondContact O-N 3.4Å | ||
| 1289 | F | 41.2 | Very low | 38.7 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -90.1 | 101.9 | -178.1 | -89.4 | -82.4 | 0 | 0 | 0 | 112.7 | N1287 | N1287-F1289 HydrophobicContact CB-CD2 4.17Å; N1287-F1289 HydrophobicContact CB-CE2 3.86Å; N1287-F1289 PolarHBondContact O-N 3.36Å | ||
| 1290 | N | 38 | Very low | 39.2 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | trans | -127 | 117.3 | 164.9 | -177.8 | 19.3 | 0 | 0 | 0 | 111 | N1288 | N1288-N1290 PolarHBondContact O-N 3.4Š| ||
| 1291 | N | 37.5 | Very low | 39.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 80% | 0.803 | S | S | * | * | trans | 63.5 | 133.8 | 159.8 | -97.5 | -72.2 | 0 | 0 | 0 | 122.1 | ||||
| 1292 | N | 41.6 | Very low | 39.5 | Very low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | 65.4 | 104.3 | 131.5 | -166.1 | 18.8 | 0 | 0 | 0 | 121.6 | ||||
| 1293 | G | 38.1 | Very low | 39.6 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | 106.5 | 138 | 123.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1294 | G | 40.1 | Very low | 40 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | 82.1 | 111.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1295 | R | 40.5 | Very low | 40.1 | Very low | 261 Ų | 261 | 127 Ų | 127 | 99% | 0.985 | 81% | 0.805 | S | S | * | * | 66.2 | 107 | 58.3 | -70.4 | -170.6 | 163.9 | -133.7 | -0.2 | 116 | |||||
| 1296 | G | 37.5 | Very low | 40.3 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | trans | 123.4 | 124.3 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1297 | G | 41 | Very low | 40.6 | Very low | 65 Ų | 65 | 125.6 Ų | 125.6 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | trans | 135.9 | 75.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1298 | H | 41.8 | Very low | 40.6 | Very low | 164 Ų | 164 | 123 Ų | 123 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | 64.5 | 99.8 | 95.7 | -72.3 | 62.1 | 0 | 0 | 0 | 113.5 | |||||
| 1299 | F | 36.5 | Very low | 41 | Very low | 185 Ų | 185 | 123.1 Ų | 123.1 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | 82.2 | 155.2 | 83.1 | -84.7 | -63.4 | 0 | 0 | 0 | 112.6 | |||||
| 1300 | P | 48.1 | Very low | 41.1 | Very low | 122 Ų | 122 | 117.3 Ų | 117.3 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | cis | -132.9 | 171.6 | 7 | 41 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 1301 | G | 39.3 | Very low | 41.4 | Very low | 79 Ų | 79 | 117.7 Ų | 117.7 | 81% | 0.814 | 81% | 0.812 | S | S | * | * | trans | 107 | 127.8 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1302 | G | 40.8 | Very low | 41.4 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | cis | 174.4 | 142.5 | -10.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1303 | G | 42 | Very low | 41.4 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | 166.3 | 123.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1304 | S | 43.9 | Very low | 41.5 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 94% | 0.944 | 82% | 0.817 | S | S | * | * | trans | -32.4 | 151.2 | 179.1 | -51.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 1305 | G | 42.6 | Very low | 41.8 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | -168.3 | -14.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1306 | G | 44.4 | Very low | 41.8 | Very low | 70 Ų | 70 | 126.5 Ų | 126.5 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | trans | 75.1 | 130.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1307 | N | 41.9 | Very low | 41.9 | Very low | 176 Ų | 176 | 126.5 Ų | 126.5 | 94% | 0.941 | 80% | 0.804 | S | S | * | * | trans | 54.6 | 146.8 | 153.9 | -59.4 | -7.4 | 0 | 0 | 0 | 121.1 | ||||
| 1308 | G | 43.2 | Very low | 42 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | cis | -162.7 | -179.4 | 3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1309 | N | 40.3 | Very low | 41.9 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | trans | -109.3 | 152.2 | -159.2 | -170 | 14.1 | 0 | 0 | 0 | 114.9 | ||||
| 1310 | G | 44.1 | Very low | 42.3 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -170.7 | 140.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1311 | N | 44.1 | Very low | 42.1 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -128.8 | 138.2 | -155.1 | -121.5 | -19.9 | 0 | 0 | 0 | 116.4 | ||||
| 1312 | N | 38 | Very low | 42.2 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | 32.4 | 124 | 146 | -71.5 | -39.3 | 0 | 0 | 0 | 123.3 | ||||
| 1313 | R | 40.2 | Very low | 42.5 | Very low | 251 Ų | 251 | 141.4 Ų | 141.4 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | 175.8 | 164.3 | 128.1 | -98.9 | 165.1 | 177 | -172.2 | 0.1 | 112.2 | |||||
| 1314 | N | 42 | Very low | 42.7 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 68% | 0.684 | 81% | 0.813 | S | S | * | * | cis | -176.7 | 151.8 | -43 | -171.7 | 10.2 | 0 | 0 | 0 | 109.9 | ||||
| 1315 | Q | 45.1 | Very low | 42.5 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 65% | 0.65 | 83% | 0.827 | S | S | * | * | trans | 71.8 | 159.3 | 167.9 | -39 | -163.2 | 34.8 | 0 | 0 | 117.4 | ||||
| 1316 | R | 40.4 | Very low | 42.5 | Very low | 224 Ų | 224 | 153 Ų | 153 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | cis | -163 | 140.7 | -0.5 | -139.4 | 174.3 | -169 | -151.5 | 0.6 | 113.6 | ||||
| 1317 | G | 39.4 | Very low | 42.4 | Very low | 83 Ų | 83 | 157.4 Ų | 157.4 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | 70.7 | 155.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1318 | G | 44.2 | Very low | 42.5 | Very low | 80 Ų | 80 | 156.3 Ų | 156.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | cis | -172.7 | 163.8 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1319 | N | 38.5 | Very low | 42.4 | Very low | 158 Ų | 158 | 160.8 Ų | 160.8 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -91.1 | 143.9 | -171.8 | -84.7 | -22.8 | 0 | 0 | 0 | 115.3 | ||||
| 1320 | H | 46.7 | Very low | 42.6 | Very low | 168 Ų | 168 | 160.9 Ų | 160.9 | 78% | 0.778 | 83% | 0.825 | S | S | * | * | trans | -166.1 | 116.3 | 140.1 | -87.9 | -38.6 | 0 | 0 | 0 | 109.7 | ||||
| 1321 | R | 42.7 | Very low | 42.5 | Very low | 220 Ų | 220 | 166.9 Ų | 166.9 | 83% | 0.83 | 83% | 0.831 | S | S | * | * | 84.1 | 116.4 | 80.9 | -85.3 | -168.2 | 178.6 | 173.8 | -1.4 | 115.8 | |||||
| 1322 | N | 42.1 | Very low | 42.3 | Very low | 152 Ų | 152 | 169.1 Ų | 169.1 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | 11.7 | 132.9 | 156.6 | -52.2 | 25.4 | 0 | 0 | 0 | 120.1 | ||||
| 1323 | R | 45.9 | Very low | 42.7 | Very low | 238 Ų | 238 | 171.5 Ų | 171.5 | 90% | 0.898 | 85% | 0.846 | S | S | * | * | -167.5 | 160.8 | 99.2 | -108.4 | 175.6 | -177.5 | 170.1 | 1.6 | 114.1 | |||||
| 1324 | N | 47.2 | Very low | 42.9 | Very low | 147 Ų | 147 | 164.8 Ų | 164.8 | 79% | 0.786 | 84% | 0.837 | S | S | * | * | trans | -55.4 | 142.7 | 171.5 | -39.5 | 14.3 | 0 | 0 | 0 | 111.6 | ||||
| 1325 | I | 40.6 | Very low | 43 | Very low | 241 Ų | 241 | 168.2 Ų | 168.2 | 100% | 1.236 | 85% | 0.851 | S | S | * | * | -108.5 | 0 | 102.8 | -78 | 176.1 | 0 | 0 | 0 | 106.5 |
Retrieved 1,325 of 1,325 residues in 151.3 ms
(Link to these results)