| 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 | 38.5 | Very low | 39.2 | Very low | 244 Ų | 244 | 166.5 Ų | 166.5 | 100% | 1.202 | 83% | 0.829 | S | S | * | * | 0 | 138.9 | 0 | -52.4 | 178.4 | -164.4 | 0 | 0 | 105.6 | |||||
| 2 | E | 37.4 | Very low | 40.9 | Very low | 194 Ų | 194 | 161.8 Ų | 161.8 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | cis | -112.8 | -163.8 | 10.7 | -64.9 | 178.8 | 98.7 | 0 | 0 | 113 | ||||
| 3 | K | 39.8 | Very low | 41.4 | Very low | 193 Ų | 193 | 159.2 Ų | 159.2 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -98 | 168.8 | 165.8 | -59.1 | 168.9 | -175.5 | 171.3 | 0 | 106.3 | ||||
| 4 | Q | 36.9 | Very low | 40.9 | Very low | 185 Ų | 185 | 164.5 Ų | 164.5 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | cis | -164.2 | 158.9 | 33.1 | -155.8 | 158.1 | -5.8 | 0 | 0 | 112.5 | ||||
| 5 | K | 43.9 | Very low | 40.7 | Very low | 185 Ų | 185 | 160.8 Ų | 160.8 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -58.9 | -176.9 | 170.5 | -95.2 | -177.2 | 179.7 | -176.7 | 0 | 114.7 | ||||
| 6 | P | 58.9 | Low | 40.2 | Very low | 86 Ų | 86 | 158.1 Ų | 158.1 | 56% | 0.558 | 82% | 0.82 | S | S | * | * | cis | -149.6 | -172.4 | -28 | 40.1 | -20.7 | 0 | 0 | 0 | 117.1 | ||||
| 7 | F | 34.3 | Very low | 39.8 | Very low | 195 Ų | 195 | 155.9 Ų | 155.9 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 68.9 | 156.5 | 145 | -66.9 | -33.4 | 0 | 0 | 0 | 120.4 | ||||
| 8 | A | 33.7 | Very low | 39.4 | Very low | 88 Ų | 88 | 152.2 Ų | 152.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -161.9 | -175.1 | -13.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 9 | L | 37.3 | Very low | 39.2 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -52 | 149.6 | -178 | -70.8 | 62.9 | 0 | 0 | 0 | 116.7 | ||||
| 10 | F | 33 | Very low | 38.9 | Very low | 191 Ų | 191 | 152 Ų | 152 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -179 | -170.8 | 103 | -113.6 | -84.8 | 0 | 0 | 0 | 112.6 | |||||
| 11 | V | 36.9 | Very low | 38.6 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 76% | 0.758 | 81% | 0.808 | S | S | * | * | trans | -115.6 | -155.1 | -158.2 | -146.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 12 | P | 59.9 | Low | 38.4 | Very low | 110 Ų | 110 | 142.5 Ų | 142.5 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | trans | -97.5 | -170.8 | -140.7 | 43.9 | -30.6 | 0 | 0 | 0 | 114.3 | ||||
| 13 | P | 47 | Very low | 38.2 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | -147.5 | -174.9 | 115.1 | 39.3 | -24 | 0 | 0 | 0 | 115.8 | |||||
| 14 | R | 35.6 | Very low | 37.9 | Very low | 234 Ų | 234 | 140.2 Ų | 140.2 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -107.5 | 162.4 | 173.1 | -75.4 | -178.1 | 169.4 | -176.4 | -2.6 | 112.6 | ||||
| 15 | S | 37.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 135.6 Ų | 135.6 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 75.7 | 130.5 | 138.7 | 58.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 16 | S | 32.1 | Very low | 37.7 | Very low | 117 Ų | 117 | 134.8 Ų | 134.8 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 114.9 | 158.8 | 129.4 | 78.2 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 17 | S | 33.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | 74.6 | 143.2 | -176.1 | -115.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 18 | S | 32.6 | Very low | 36.3 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 78% | 0.776 | S | S | * | * | cis | -152.7 | 154.2 | 2.4 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 19 | Q | 35.8 | Very low | 36.2 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | 56.8 | 151.1 | 142.3 | -74.7 | 175.8 | -17.6 | 0 | 0 | 122.2 | ||||
| 20 | V | 33.2 | Very low | 35.9 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -165 | 149.1 | -23.5 | 114.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 21 | S | 33.2 | Very low | 35.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 64.8 | 151.6 | 164.2 | -88.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 22 | A | 34.1 | Very low | 35.5 | Very low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | cis | -154.8 | 175.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 23 | V | 33.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | 84.2 | 147.2 | 167.2 | -167.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 24 | K | 32.9 | Very low | 33.5 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -135.8 | 173 | -166.6 | -126.6 | -171.7 | 176.6 | -177.3 | 0 | 107.4 | ||||
| 25 | P | 47.4 | Very low | 33.3 | Very low | 87 Ų | 87 | 132 Ų | 132 | 57% | 0.565 | 79% | 0.791 | S | S | * | * | cis | -139.1 | 173.1 | -6.8 | 41.6 | -24.5 | 0 | 0 | 0 | 116.5 | ||||
| 26 | Q | 30.1 | Very low | 32.8 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | 78.5 | 147.6 | 137.9 | -94.2 | 167.1 | -52 | 0 | 0 | 124.6 | ||||
| 27 | T | 31.5 | Very low | 32.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 76.8 | 115.5 | 159.3 | 45.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 28 | L | 32.6 | Very low | 32.4 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | 26.6 | 108.3 | 144.4 | -77.8 | 64.6 | 0 | 0 | 0 | 119.4 | ||||
| 29 | G | 29.6 | Very low | 32.4 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | 80.6 | 138 | 93.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 30 | G | 31.8 | Very low | 32.3 | Very low | 78 Ų | 78 | 138.9 Ų | 138.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | 106.2 | 132.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 31 | D | 31 | Very low | 32.1 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -68.7 | 144.4 | 177.1 | -65.4 | -71.2 | 0 | 0 | 0 | 112.2 | ||||
| 32 | S | 31.4 | Very low | 32.1 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -105.9 | 126.2 | -172.7 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 33 | T | 31.1 | Very low | 32 | Very low | 135 Ų | 135 | 140.6 Ų | 140.6 | 83% | 0.828 | 77% | 0.769 | S | S | * | * | trans | -172.1 | 102.9 | 150.2 | 9.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 34 | F | 33.4 | Very low | 31.9 | Very low | 199 Ų | 199 | 140.6 Ų | 140.6 | 87% | 0.873 | 76% | 0.764 | S | S | * | * | trans | -173 | 157.7 | 149.1 | -105.1 | -61.3 | 0 | 0 | 0 | 113.1 | ||||
| 35 | F | 30.6 | Very low | 31.9 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 64.8 | 120.2 | 167.4 | -77 | -70.9 | 0 | 0 | 0 | 121.7 | ||||
| 36 | K | 28.1 | Very low | 31.1 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | -141.5 | 159.1 | 113 | -149.4 | 165.3 | -174 | 174.5 | 0 | 110.2 | |||||
| 37 | S | 26.8 | Very low | 31.1 | Very low | 68 Ų | 68 | 142.3 Ų | 142.3 | 48% | 0.476 | 77% | 0.77 | S | S | . | * | trans | -149.9 | -177.1 | -161.5 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 38 | F | 30.6 | Very low | 31.3 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | trans | 77 | 141.5 | -178.6 | -53.9 | -79.4 | 0 | 0 | 0 | 115.4 | ||||
| 39 | N | 32.4 | Very low | 31.6 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | cis | -147.3 | -178.4 | -3.8 | -136.9 | -8.5 | 0 | 0 | 0 | 107.9 | ||||
| 40 | K | 33.2 | Very low | 31.6 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -136.3 | -172.2 | 9.9 | -139.9 | -131.3 | 163 | -164.7 | 0 | 105.6 | T42 | K40-T42 PolarHBondContact NZ-OG1 3.23Š| ||
| 41 | C | 28.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 150.5 Ų | 150.5 | 71% | 0.709 | 77% | 0.772 | S | S | * | * | cis | 69 | 150.1 | 27.7 | -90.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 42 | T | 33 | Very low | 31.6 | Very low | 84 Ų | 84 | 152 Ų | 152 | 52% | 0.515 | 77% | 0.771 | S | S | . | * | cis | -137.1 | 145 | -0.3 | 17.3 | 0 | 0 | 0 | 0 | 111.5 | K40 | K40-T42 PolarHBondContact NZ-OG1 3.23Š| ||
| 43 | E | 32.7 | Very low | 31.5 | Very low | 165 Ų | 165 | 152.8 Ų | 152.8 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | 29.5 | 124.4 | 140.3 | -66.3 | 157.1 | 162.3 | 0 | 0 | 123.5 | ||||
| 44 | D | 31.3 | Very low | 31.6 | Very low | 147 Ų | 147 | 154.4 Ų | 154.4 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | 59.6 | 139.1 | 124.6 | -58.8 | -3.3 | 0 | 0 | 0 | 126.5 | |||||
| 45 | D | 32.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 152.8 Ų | 152.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 87.5 | 151.6 | 139 | -94.9 | -6 | 0 | 0 | 0 | 125.1 | ||||
| 46 | F | 31.3 | Very low | 31.6 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | trans | 71.5 | 113.4 | 170.8 | -72.4 | -78.4 | 0 | 0 | 0 | 123.3 | ||||
| 47 | E | 29 | Very low | 32.1 | Very low | 175 Ų | 175 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 42 | 150.5 | 132.6 | -64.1 | -171.1 | 127.7 | 0 | 0 | 125 | ||||
| 48 | F | 36 | Very low | 32.4 | Very low | 204 Ų | 204 | 150.7 Ų | 150.7 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | -55.9 | 147.8 | 173.1 | -83.1 | -87.7 | 0 | 0 | 0 | 113.9 | ||||
| 49 | P | 40 | Very low | 32.4 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | -145.8 | 175.8 | 95.7 | 37.7 | -21.4 | 0 | 0 | 0 | 117.1 | |||||
| 50 | F | 28.1 | Very low | 32.2 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | trans | -32.9 | 143.5 | 171.6 | -67.3 | -103.4 | 0 | 0 | 0 | 118 | ||||
| 51 | A | 25.3 | Very low | 32.4 | Very low | 92 Ų | 92 | 147.9 Ų | 147.9 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | -173.3 | 148 | 102.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 52 | K | 39 | Very low | 32.6 | Very low | 210 Ų | 210 | 150.3 Ų | 150.3 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -103.8 | 130.1 | 156.8 | -76.9 | -178.4 | 178 | 177.3 | 0 | 108.4 | ||||
| 53 | T | 28.9 | Very low | 32.6 | Very low | 122 Ų | 122 | 154 Ų | 154 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -145.9 | 118 | 164.4 | 41.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 54 | N | 32.8 | Very low | 32.6 | Very low | 170 Ų | 170 | 150.8 Ų | 150.8 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -105.8 | 138.3 | 163 | -72.9 | -31.4 | 0 | 0 | 0 | 108.6 | ||||
| 55 | L | 31.1 | Very low | 32.6 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -156 | 147.7 | 172.6 | -88.8 | 150.5 | 0 | 0 | 0 | 106.6 | ||||
| 56 | S | 32.7 | Very low | 33.1 | Very low | 101 Ų | 101 | 149.4 Ų | 149.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | cis | -156.3 | -175 | -10.7 | 65.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 57 | K | 38.9 | Very low | 33 | Very low | 181 Ų | 181 | 145 Ų | 145 | 79% | 0.787 | 79% | 0.794 | S | S | * | * | cis | -157.8 | 168.8 | 4.6 | -137.9 | -169.3 | 157.9 | -161.6 | 0 | 104.5 | ||||
| 58 | N | 32.7 | Very low | 33.2 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | cis | -106.2 | -172.1 | 3.5 | -71.7 | -44.2 | 0 | 0 | 0 | 109.8 | ||||
| 59 | G | 30.4 | Very low | 32.8 | Very low | 64 Ų | 64 | 143.7 Ų | 143.7 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | cis | 104 | 118.5 | 8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 60 | E | 29.4 | Very low | 32.3 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | cis | -139.5 | 156.3 | 5.9 | -66.6 | 177.1 | 125.8 | 0 | 0 | 112 | ||||
| 61 | N | 36.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -146.7 | 121.1 | 175.3 | -110.1 | -14.7 | 0 | 0 | 0 | 107.3 | ||||
| 62 | I | 33.6 | Very low | 32.7 | Very low | 157 Ų | 157 | 146 Ų | 146 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | trans | -140.4 | 120.8 | 157.4 | -64.3 | -172.8 | 0 | 0 | 0 | 108.4 | S64 | I62-S64 WeakPolarHBondContact CG2-OG 3.45Š| ||
| 63 | D | 33.7 | Very low | 32.2 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -94.9 | 139.4 | 157.1 | 178.1 | 22.5 | 0 | 0 | 0 | 107.8 | ||||
| 64 | S | 32 | Very low | 32.2 | Very low | 97 Ų | 97 | 146.6 Ų | 146.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -168.1 | 116.6 | -179.4 | -77.7 | 0 | 0 | 0 | 0 | 113.3 | I62 | I62-S64 WeakPolarHBondContact CG2-OG 3.45Š| ||
| 65 | D | 31.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | -112.3 | 130.7 | 145.5 | -178.8 | 33.5 | 0 | 0 | 0 | 106 | A67 | D65-A67 PolarHBondContact OD1-N 3.39Š| ||
| 66 | P | 41.9 | Very low | 32 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | -147.4 | 141.2 | 99.5 | 36.1 | -18.6 | 0 | 0 | 0 | 116.5 | |||||
| 67 | A | 29.5 | Very low | 31.8 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 61% | 0.612 | 79% | 0.786 | S | S | * | * | trans | 73.6 | 118.7 | 134.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | D65 | D65-A67 PolarHBondContact OD1-N 3.39Š| ||
| 68 | L | 32.8 | Very low | 31.1 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | trans | 59.3 | 92 | 133.3 | -61.6 | 173.6 | 0 | 0 | 0 | 120.5 | ||||
| 69 | Q | 28.8 | Very low | 31.1 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | -156.1 | 88.3 | 129.2 | -119.4 | 176.1 | 49.4 | 0 | 0 | 116.7 | V71 | Q69-V71 PolarHBondContact O-N 3.48Š| |||
| 70 | K | 29.6 | Very low | 30.9 | Very low | 201 Ų | 201 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 34.5 | 86.4 | 124.4 | -168.3 | -170.8 | 180 | -179.3 | 0 | 118.7 | |||||
| 71 | V | 30.9 | Very low | 30.7 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | -138.8 | 147.1 | 144.1 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | Q69 | Q69-V71 PolarHBondContact O-N 3.48Š| ||
| 72 | N | 30 | Very low | 30.1 | Very low | 129 Ų | 129 | 142.7 Ų | 142.7 | 69% | 0.69 | 78% | 0.781 | S | S | * | * | trans | -57.3 | 156.3 | 176.6 | -52.5 | -34.3 | 0 | 0 | 0 | 111.4 | ||||
| 73 | F | 28.2 | Very low | 30 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | cis | -140 | 168.7 | 47.9 | -77.1 | -92.3 | 0 | 0 | 0 | 115.2 | ||||
| 74 | L | 29.7 | Very low | 29.6 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -76.1 | 152.7 | -171.4 | -67 | 118.2 | 0 | 0 | 0 | 114.6 | ||||
| 75 | P | 33.6 | Very low | 29.3 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -74.7 | 118.6 | 151.8 | 32.2 | -29.6 | 0 | 0 | 0 | 109.6 | L77 | P75-L77 PolarHBondContact O-N 3.33Å; P75-L77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | V | 25.2 | Very low | 29.1 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -82.6 | 89.8 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | E78 | V76-E78 HydrophobicContact CG1-CB 4Š| ||
| 77 | L | 29.2 | Very low | 28.6 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | -90.8 | 101.2 | 151.5 | -179.4 | 77 | 0 | 0 | 0 | 107.2 | P75 | P75-L77 PolarHBondContact O-N 3.33Å; P75-L77 VanDerWaalsContact O-N 3.1Å | ||
| 78 | E | 25.1 | Very low | 28.5 | Very low | 169 Ų | 169 | 149 Ų | 149 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -108.4 | 102.1 | 172.3 | -166.8 | 163.8 | -142.8 | 0 | 0 | 109.5 | V76 | V76-E78 HydrophobicContact CG1-CB 4Š| ||
| 79 | Q | 32.2 | Very low | 28.3 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | -118.5 | 153.3 | 158.7 | -76.9 | -167.9 | -2.3 | 0 | 0 | 108 | ||||
| 80 | V | 26.1 | Very low | 28.3 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | trans | 71.9 | 128.5 | -177.2 | -166.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 81 | G | 25 | Very low | 28.3 | Very low | 56 Ų | 56 | 140.1 Ų | 140.1 | 58% | 0.577 | 76% | 0.761 | S | S | * | * | cis | 167.7 | 174.2 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 82 | N | 24.6 | Very low | 28.4 | Very low | 163 Ų | 163 | 141.4 Ų | 141.4 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | trans | 67.6 | 151.6 | -177.6 | -45.2 | -25.9 | 0 | 0 | 0 | 113.7 | ||||
| 83 | S | 30.2 | Very low | 28.3 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | cis | -131.8 | 138.7 | -6 | -118.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 84 | D | 24.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | 50.3 | 105.5 | 100.8 | -174.9 | 21.6 | 0 | 0 | 0 | 115.4 | H86 | D84-H86 IonicContact OD1-CD2 3.37Å; D84-H86 PolarHBondContact OD1-N 3.27Å | |||
| 85 | C | 25.5 | Very low | 28.7 | Very low | 125 Ų | 125 | 136 Ų | 136 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -150.2 | 96.6 | 138 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 86 | H | 28.7 | Very low | 28.9 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | trans | 1.4 | 150.5 | 161.4 | -94 | -97.1 | 0 | 0 | 0 | 124 | D84 | D84-H86 IonicContact OD1-CD2 3.37Å; D84-H86 PolarHBondContact OD1-N 3.27Å | ||
| 87 | Y | 30.3 | Very low | 29.5 | Very low | 201 Ų | 201 | 139.5 Ų | 139.5 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | -58.4 | 167.3 | 159.4 | -83.9 | -102.2 | 0 | 0 | 0 | 114.7 | ||||
| 88 | Q | 28.6 | Very low | 29.9 | Very low | 163 Ų | 163 | 139.6 Ų | 139.6 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | 68.2 | 165.6 | 154.1 | -77.3 | 171.4 | -81.5 | 0 | 0 | 116 | ||||
| 89 | E | 28.2 | Very low | 31.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | cis | -173.7 | 155.4 | -26.7 | 176 | 164.6 | -158.1 | 0 | 0 | 106.8 | ||||
| 90 | G | 28.2 | Very low | 31.9 | Very low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 74% | 0.742 | S | S | * | * | trans | 135 | 106.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 91 | L | 30.7 | Very low | 33.5 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | 75.1 | 114.9 | 71.9 | -89.4 | 70.4 | 0 | 0 | 0 | 113.8 | |||||
| 92 | K | 32.5 | Very low | 35.5 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | trans | 71.1 | 150.3 | 134.9 | -67.2 | -173 | 143.3 | -70.7 | 0 | 118 | ||||
| 93 | D | 27.6 | Very low | 37.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 59% | 0.588 | 72% | 0.717 | S | S | * | * | cis | -150.1 | 165.1 | -7.2 | -103 | -29 | 0 | 0 | 0 | 108.2 | ||||
| 94 | S | 34.3 | Very low | 39.8 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 72% | 0.72 | S | S | * | * | trans | 62.1 | 149.4 | 157.7 | 61.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 95 | D | 32.9 | Very low | 42.3 | Very low | 148 Ų | 148 | 134.5 Ų | 134.5 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | cis | -161.8 | -177.2 | -20.9 | -100.5 | -35.2 | 0 | 0 | 0 | 108.9 | ||||
| 96 | L | 36.9 | Very low | 44.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 81% | 0.812 | 70% | 0.704 | S | S | * | * | trans | 90.1 | 80.8 | 175.9 | -69.1 | 91.6 | 0 | 0 | 0 | 118.6 | ||||
| 97 | E | 37.4 | Very low | 47.6 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | 60.2 | 108.3 | 124.6 | -61.4 | -170.1 | 141.8 | 0 | 0 | 121.7 | |||||
| 98 | N | 37.9 | Very low | 50.3 | Low | 161 Ų | 161 | 128.2 Ų | 128.2 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 61.6 | 53.9 | 131.5 | -64.1 | -28.5 | 0 | 0 | 0 | 119.6 | ||
| 99 | S | 51.3 | Low | 53.1 | Low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | trans | -141 | -16.7 | 158.3 | -160.4 | 0 | 0 | 0 | 0 | 115.1 | G101 | S99-G101 VanDerWaalsContact C-N 3.3Å; S99-G101 PolarHBondContact O-N 3.37Å | ||
| 100 | E | 48.5 | Very low | 56 | Low | 162 Ų | 162 | 125.8 Ų | 125.8 | 76% | 0.757 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.5 | -14.6 | -158 | -62 | -163.1 | 102.3 | 0 | 0 | 117.7 | L102 R104 | E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 3.12Å; E100-R104 VanDerWaalsContact O-CB 3.29Å; E100-R104 WeakPolarHBondContact O-CB 3.21Å; E100-R104 PolarHBondContact O-N 2.87Å; E100-R104 VanDerWaalsContact O-N 3.16Å |
| 101 | G | 60 | Low | 59 | Low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -55.8 | -41.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | S99 V105 | S99-G101 VanDerWaalsContact C-N 3.3Å; S99-G101 PolarHBondContact O-N 3.37Å; G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.16Å |
| 102 | L | 65.2 | Low | 61.9 | Low | 110 Ų | 110 | 125.5 Ų | 125.5 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.6 | -49.2 | -173.8 | -171.7 | 60.2 | 0 | 0 | 0 | 112.4 | E100 R104 V105 Y106 | E100-L102 VanDerWaalsContact C-N 3.27Å; E100-L102 PolarHBondContact O-N 3.12Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 2.76Å; L102-V105 PolarHBondContact O-N 3.35Å; L102-V105 VanDerWaalsContact O-N 3.16Å; L102-Y106 HydrophobicContact CD1-CD2 4.09Å; L102-Y106 HydrophobicContact CD1-CE2 3.61Å; L102-Y106 HydrophobicContact CD2-CE2 4.22Å; L102-Y106 HydrophobicContact CG-CD2 3.93Å; L102-Y106 HydrophobicContact CG-CE2 3.66Å; L102-Y106 WeakPolarHBondContact O-CD2 3.34Å; L102-Y106 PolarHBondContact O-N 3.4Å |
| 103 | S | 70.6 | Confident | 64.6 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -62.6 | -35.4 | 179.5 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | Y106 S107 | S103-Y106 PolarHBondContact O-N 3.14Å; S103-S107 WeakPolarHBondContact O-CB 3.48Å; S103-S107 PolarHBondContact O-N 3.3Å |
| 104 | R | 74.8 | Confident | 67.7 | Low | 206 Ų | 206 | 118.6 Ų | 118.6 | 78% | 0.777 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -65.9 | -37.1 | 175.8 | -164.1 | 178.1 | -168.8 | -143.7 | 6.7 | 112.1 | E100 L102 K108 | E100-R104 VanDerWaalsContact O-CB 3.29Å; E100-R104 WeakPolarHBondContact O-CB 3.21Å; E100-R104 PolarHBondContact O-N 2.87Å; E100-R104 VanDerWaalsContact O-N 3.16Å; L102-R104 VanDerWaalsContact C-N 3.3Å; L102-R104 PolarHBondContact O-N 2.76Å; R104-K108 WeakPolarHBondContact O-CB 3.48Å; R104-K108 PolarHBondContact O-N 3.37Å; R104-K108 VanDerWaalsContact O-N 3.11Å |
| 105 | V | 77.4 | Confident | 70.5 | Confident | 95 Ų | 95 | 119.3 Ų | 119.3 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.8 | -47.9 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | G101 L102 S107 K108 L109 | G101-V105 WeakPolarHBondContact O-CG2 3.48Å; G101-V105 PolarHBondContact O-N 3.16Å; L102-V105 PolarHBondContact O-N 3.35Å; L102-V105 VanDerWaalsContact O-N 3.16Å; V105-S107 PolarHBondContact O-N 3.38Å; V105-K108 PolarHBondContact O-N 3.43Å; V105-L109 WeakPolarHBondContact O-CB 3.26Å; V105-L109 PolarHBondContact O-N 3.37Å |
| 106 | Y | 79.4 | Confident | 73.4 | Confident | 153 Ų | 153 | 117.6 Ų | 117.6 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.1 | -44.5 | 177.1 | -81.1 | -63.9 | 0 | 0 | 0 | 112.9 | L102 S103 K108 L109 Y110 | L102-Y106 HydrophobicContact CD1-CD2 4.09Å; L102-Y106 HydrophobicContact CD1-CE2 3.61Å; L102-Y106 HydrophobicContact CD2-CE2 4.22Å; L102-Y106 HydrophobicContact CG-CD2 3.93Å; L102-Y106 HydrophobicContact CG-CE2 3.66Å; L102-Y106 WeakPolarHBondContact O-CD2 3.34Å; L102-Y106 PolarHBondContact O-N 3.4Å; S103-Y106 PolarHBondContact O-N 3.14Å; Y106-K108 VanDerWaalsContact C-N 3.34Å; Y106-K108 PolarHBondContact O-N 3.47Å; Y106-L109 PolarHBondContact O-N 3.27Å; Y106-Y110 WeakPolarHBondContact O-CB 3.42Å; Y106-Y110 PolarHBondContact O-N 3.21Å |
| 107 | S | 86.1 | Confident | 76.1 | Confident | 61 Ų | 61 | 117.1 Ų | 117.1 | 43% | 0.427 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65 | -37 | 178.2 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | S103 V105 K111 | S103-S107 WeakPolarHBondContact O-CB 3.48Å; S103-S107 PolarHBondContact O-N 3.3Å; V105-S107 PolarHBondContact O-N 3.38Å; S107-K111 WeakPolarHBondContact O-CG 3.5Å; S107-K111 PolarHBondContact O-N 3.37Å; S107-K111 VanDerWaalsContact O-N 3.1Å |
| 108 | K | 87.6 | Confident | 78.9 | Confident | 145 Ų | 145 | 115.3 Ų | 115.3 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -69.3 | -43.8 | 174.8 | -166.6 | 173.2 | -177.2 | -179.1 | 0 | 111.7 | R104 V105 Y106 Y110 K111 E112 | R104-K108 WeakPolarHBondContact O-CB 3.48Å; R104-K108 PolarHBondContact O-N 3.37Å; R104-K108 VanDerWaalsContact O-N 3.11Å; V105-K108 PolarHBondContact O-N 3.43Å; Y106-K108 VanDerWaalsContact C-N 3.34Å; Y106-K108 PolarHBondContact O-N 3.47Å; K108-Y110 VanDerWaalsContact C-N 3.33Å; K108-Y110 PolarHBondContact O-N 3.27Å; K108-K111 PolarHBondContact O-N 3.33Å; K108-E112 PolarHBondContact O-N 3.49Å |
| 109 | L | 88.3 | Confident | 81.6 | Confident | 110 Ų | 110 | 116.3 Ų | 116.3 | 58% | 0.576 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59.4 | -42.2 | 175.1 | -179 | 62.2 | 0 | 0 | 0 | 111.7 | V105 Y106 E112 A113 | V105-L109 WeakPolarHBondContact O-CB 3.26Å; V105-L109 PolarHBondContact O-N 3.37Å; Y106-L109 PolarHBondContact O-N 3.27Å; L109-E112 PolarHBondContact O-N 3.4Å; L109-A113 WeakPolarHBondContact O-CB 3.4Å; L109-A113 PolarHBondContact O-N 3.33Å |
| 110 | Y | 89.4 | Confident | 83.8 | Confident | 163 Ų | 163 | 117.1 Ų | 117.1 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.4 | -43.6 | 175.2 | -171.7 | -87.6 | 0 | 0 | 0 | 112.1 | Y106 K108 A113 E114 | Y106-Y110 WeakPolarHBondContact O-CB 3.42Å; Y106-Y110 PolarHBondContact O-N 3.21Å; K108-Y110 VanDerWaalsContact C-N 3.33Å; K108-Y110 PolarHBondContact O-N 3.27Å; Y110-A113 PolarHBondContact O-N 3Å; Y110-E114 HydrophobicContact CD1-CG 4.22Å; Y110-E114 HydrophobicContact CE1-CG 3.84Å; Y110-E114 PolarHBondContact O-N 3.19Å |
| 111 | K | 91.2 | Very high | 86 | Confident | 124 Ų | 124 | 113.4 Ų | 113.4 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.8 | -37.1 | 177.6 | -73.5 | 174.3 | -179 | -179.8 | 0 | 112.8 | S107 K108 K115 | S107-K111 WeakPolarHBondContact O-CG 3.5Å; S107-K111 PolarHBondContact O-N 3.37Å; S107-K111 VanDerWaalsContact O-N 3.1Å; K108-K111 PolarHBondContact O-N 3.33Å; K111-K115 WeakPolarHBondContact O-CG 3.45Å; K111-K115 PolarHBondContact O-N 3.17Å |
| 112 | E | 90.8 | Very high | 87.7 | Confident | 74 Ų | 74 | 114.2 Ų | 114.2 | 35% | 0.346 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -71.4 | -37.4 | 171.9 | -59.1 | -46.2 | 132.8 | 0 | 0 | 112.1 | K108 L109 E114 K115 I116 | K108-E112 PolarHBondContact O-N 3.49Å; L109-E112 PolarHBondContact O-N 3.4Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.32Å; E112-K115 PolarHBondContact O-N 3.37Å; E112-K115 IonicContact OE1-NZ 3.1Å; E112-K115 PolarHBondContact OE1-NZ 3.4Å; E112-K115 WeakPolarHBondContact OE2-CD 3.36Å; E112-K115 IonicContact OE2-NZ 2.6Å; E112-K115 PolarHBondContact OE2-NZ 3.48Å; E112-I116 WeakPolarHBondContact O-CB 3.47Å; E112-I116 VanDerWaalsContact O-CG1 3.27Å; E112-I116 WeakPolarHBondContact O-CG1 3.47Å; E112-I116 PolarHBondContact O-N 3.26Å |
| 113 | A | 89.7 | Confident | 89.1 | Confident | 54 Ų | 54 | 111 Ų | 111 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | L109 Y110 I116 K117 | L109-A113 WeakPolarHBondContact O-CB 3.4Å; L109-A113 PolarHBondContact O-N 3.33Å; Y110-A113 PolarHBondContact O-N 3Å; A113-I116 PolarHBondContact O-N 3.14Å; A113-K117 WeakPolarHBondContact O-CB 3.45Å; A113-K117 PolarHBondContact O-N 3.06Å |
| 114 | E | 91.8 | Very high | 90.2 | Very high | 71 Ų | 71 | 111.6 Ų | 111.6 | 33% | 0.332 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 170.6 | -91.9 | -134.7 | 116.9 | 0 | 0 | 112.7 | Y110 E112 K117 K118 | Y110-E114 HydrophobicContact CD1-CG 4.22Å; Y110-E114 HydrophobicContact CE1-CG 3.84Å; Y110-E114 PolarHBondContact O-N 3.19Å; E112-E114 VanDerWaalsContact C-N 3.34Å; E112-E114 PolarHBondContact O-N 3.32Å; E114-K117 PolarHBondContact O-N 2.68Å; E114-K118 WeakPolarHBondContact O-CB 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.32Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.15Å; E114-K118 IonicContact OE1-NZ 2.74Å; E114-K118 PolarHBondContact OE1-NZ 3.38Å; E114-K118 VanDerWaalsContact OE1-NZ 3.13Å; E114-K118 IonicContact OE2-NZ 3.38Å; E114-K118 PolarHBondContact OE2-NZ 3.02Å |
| 115 | K | 94.5 | Very high | 91.2 | Very high | 116 Ų | 116 | 104.5 Ų | 104.5 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 175.5 | -75.8 | 161.8 | 167.1 | -179.2 | 0 | 111.2 | K111 E112 K117 K118 W119 | K111-K115 WeakPolarHBondContact O-CG 3.45Å; K111-K115 PolarHBondContact O-N 3.17Å; E112-K115 PolarHBondContact O-N 3.37Å; E112-K115 IonicContact OE1-NZ 3.1Å; E112-K115 PolarHBondContact OE1-NZ 3.4Å; E112-K115 WeakPolarHBondContact OE2-CD 3.36Å; E112-K115 IonicContact OE2-NZ 2.6Å; E112-K115 PolarHBondContact OE2-NZ 3.48Å; K115-K117 VanDerWaalsContact C-N 3.32Å; K115-K117 PolarHBondContact O-N 3.36Å; K115-K118 PolarHBondContact O-N 3.3Å; K115-W119 VanDerWaalsContact O-CB 3.29Å; K115-W119 WeakPolarHBondContact O-CB 3.35Å; K115-W119 PolarHBondContact O-N 3.12Å |
| 116 | I | 92.9 | Very high | 92.1 | Very high | 111 Ų | 111 | 104.4 Ų | 104.4 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.9 | -42 | 175.9 | -68.6 | 163.8 | 0 | 0 | 0 | 110.4 | E112 A113 K120 | E112-I116 WeakPolarHBondContact O-CB 3.47Å; E112-I116 VanDerWaalsContact O-CG1 3.27Å; E112-I116 WeakPolarHBondContact O-CG1 3.47Å; E112-I116 PolarHBondContact O-N 3.26Å; A113-I116 PolarHBondContact O-N 3.14Å; I116-K120 WeakPolarHBondContact O-CB 3.46Å; I116-K120 PolarHBondContact O-N 3.16Å |
| 117 | K | 94.4 | Very high | 92.8 | Very high | 146 Ų | 146 | 102.2 Ų | 102.2 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.2 | -46.3 | 175.2 | -175.5 | -178.6 | 178.1 | -175.3 | 0 | 112.1 | A113 E114 K115 K120 V121 | A113-K117 WeakPolarHBondContact O-CB 3.45Å; A113-K117 PolarHBondContact O-N 3.06Å; E114-K117 PolarHBondContact O-N 2.68Å; K115-K117 VanDerWaalsContact C-N 3.32Å; K115-K117 PolarHBondContact O-N 3.36Å; K117-K120 PolarHBondContact O-N 3.48Å; K117-V121 WeakPolarHBondContact O-CB 3.2Å; K117-V121 WeakPolarHBondContact O-CG2 3.44Å; K117-V121 PolarHBondContact O-N 3Å |
| 118 | K | 94.5 | Very high | 93.2 | Very high | 124 Ų | 124 | 109.1 Ų | 109.1 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 178.2 | -74.2 | 163.9 | -178.8 | 162 | 0 | 111 | E114 K115 S122 | E114-K118 WeakPolarHBondContact O-CB 3.38Å; E114-K118 VanDerWaalsContact O-CG 3.32Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 3.15Å; E114-K118 IonicContact OE1-NZ 2.74Å; E114-K118 PolarHBondContact OE1-NZ 3.38Å; E114-K118 VanDerWaalsContact OE1-NZ 3.13Å; E114-K118 IonicContact OE2-NZ 3.38Å; E114-K118 PolarHBondContact OE2-NZ 3.02Å; K115-K118 PolarHBondContact O-N 3.3Å; K118-S122 VanDerWaalsContact O-CB 3.29Å; K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 2.96Å |
| 119 | W | 96.4 | Very high | 93.6 | Very high | 181 Ų | 181 | 107.4 Ų | 107.4 | 69% | 0.686 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.3 | -45.6 | 174.7 | 176.5 | 75.7 | 0 | 0 | 0 | 112.3 | K115 S122 T123 | K115-W119 VanDerWaalsContact O-CB 3.29Å; K115-W119 WeakPolarHBondContact O-CB 3.35Å; K115-W119 PolarHBondContact O-N 3.12Å; W119-S122 PolarHBondContact O-N 3.32Å; W119-T123 WeakPolarHBondContact O-CB 3.4Å; W119-T123 PolarHBondContact O-N 3.26Å; W119-T123 PolarHBondContact O-OG1 3.44Å |
| 120 | K | 96 | Very high | 93.9 | Very high | 112 Ų | 112 | 107.4 Ų | 107.4 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.4 | -53.9 | 176.1 | 177.4 | 176.6 | 175 | 178.3 | 0 | 111 | I116 K117 S122 T123 E124 | I116-K120 WeakPolarHBondContact O-CB 3.46Å; I116-K120 PolarHBondContact O-N 3.16Å; K117-K120 PolarHBondContact O-N 3.48Å; K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.01Å; K120-T123 PolarHBondContact O-N 3.29Å; K120-E124 WeakPolarHBondContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact CE-OE2 3.41Å; K120-E124 HydrophobicContact CG-CG 4.28Å; K120-E124 IonicContact NZ-OE1 3.73Å; K120-E124 WeakPolarHBondContact O-CB 3.45Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.39Å |
| 121 | V | 95.8 | Very high | 94.2 | Very high | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -40.1 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | K117 A125 | K117-V121 WeakPolarHBondContact O-CB 3.2Å; K117-V121 WeakPolarHBondContact O-CG2 3.44Å; K117-V121 PolarHBondContact O-N 3Å; V121-A125 VanDerWaalsContact O-CB 3.25Å; V121-A125 WeakPolarHBondContact O-CB 3.41Å; V121-A125 PolarHBondContact O-N 2.92Å |
| 122 | S | 95.7 | Very high | 94.4 | Very high | 75 Ų | 75 | 100.5 Ų | 100.5 | 52% | 0.524 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.3 | -168.5 | 0 | 0 | 0 | 0 | 112 | K118 W119 K120 A125 E126 | K118-S122 VanDerWaalsContact O-CB 3.29Å; K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 2.96Å; W119-S122 PolarHBondContact O-N 3.32Å; K120-S122 VanDerWaalsContact C-N 3.33Å; K120-S122 PolarHBondContact O-N 3.01Å; S122-A125 PolarHBondContact O-N 3.24Å; S122-E126 WeakPolarHBondContact O-CB 3.4Å; S122-E126 PolarHBondContact O-N 3.13Å |
| 123 | T | 93.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 101.9 Ų | 101.9 | 26% | 0.264 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -41.2 | 179.7 | -53 | 0 | 0 | 0 | 0 | 111 | W119 K120 E126 L127 | W119-T123 WeakPolarHBondContact O-CB 3.4Å; W119-T123 PolarHBondContact O-N 3.26Å; W119-T123 PolarHBondContact O-OG1 3.44Å; K120-T123 PolarHBondContact O-N 3.29Å; T123-E126 PolarHBondContact O-N 3.4Å; T123-L127 HydrophobicContact CG2-CD1 4.11Å; T123-L127 HydrophobicContact CG2-CG 4.49Å; T123-L127 WeakPolarHBondContact O-CB 3.46Å; T123-L127 VanDerWaalsContact O-CG 3.23Å; T123-L127 WeakPolarHBondContact O-CG 3.39Å; T123-L127 PolarHBondContact O-N 3.27Å |
| 124 | E | 94.9 | Very high | 94.9 | Very high | 94 Ų | 94 | 103.7 Ų | 103.7 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 174.5 | -73.6 | 176.3 | 152 | 0 | 0 | 111.5 | K120 R128 | K120-E124 WeakPolarHBondContact CE-OE1 3.26Å; K120-E124 WeakPolarHBondContact CE-OE2 3.41Å; K120-E124 HydrophobicContact CG-CG 4.28Å; K120-E124 IonicContact NZ-OE1 3.73Å; K120-E124 WeakPolarHBondContact O-CB 3.45Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.39Å; E124-R128 WeakPolarHBondContact O-CB 3.47Å; E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.2Å |
| 125 | A | 93.9 | Very high | 95.1 | Very high | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V121 S122 R128 Q129 | V121-A125 VanDerWaalsContact O-CB 3.25Å; V121-A125 WeakPolarHBondContact O-CB 3.41Å; V121-A125 PolarHBondContact O-N 2.92Å; S122-A125 PolarHBondContact O-N 3.24Å; A125-R128 PolarHBondContact O-N 3.21Å; A125-Q129 WeakPolarHBondContact O-CB 3.46Å; A125-Q129 PolarHBondContact O-N 2.81Å |
| 126 | E | 96.6 | Very high | 95.1 | Very high | 94 Ų | 94 | 104.5 Ų | 104.5 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 176.4 | -164.5 | -165.2 | 144.5 | 0 | 0 | 111.7 | S122 T123 Q129 K130 | S122-E126 WeakPolarHBondContact O-CB 3.4Å; S122-E126 PolarHBondContact O-N 3.13Å; T123-E126 PolarHBondContact O-N 3.4Å; E126-Q129 PolarHBondContact O-N 3.26Å; E126-K130 HydrophobicContact CG-CD 4.36Å; E126-K130 WeakPolarHBondContact O-CB 3.5Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.45Å; E126-K130 IonicContact OE1-NZ 3.55Å; E126-K130 PolarHBondContact OE1-NZ 3.04Å |
| 127 | L | 95.2 | Very high | 95.3 | Very high | 107 Ų | 107 | 103.2 Ų | 103.2 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 174.8 | -73.8 | 170.9 | 0 | 0 | 0 | 111.8 | T123 K130 E131 | T123-L127 HydrophobicContact CG2-CD1 4.11Å; T123-L127 HydrophobicContact CG2-CG 4.49Å; T123-L127 WeakPolarHBondContact O-CB 3.46Å; T123-L127 VanDerWaalsContact O-CG 3.23Å; T123-L127 WeakPolarHBondContact O-CG 3.39Å; T123-L127 PolarHBondContact O-N 3.27Å; L127-K130 PolarHBondContact O-N 3.47Å; L127-E131 WeakPolarHBondContact O-CB 3.28Å; L127-E131 PolarHBondContact O-N 3.04Å |
| 128 | R | 94.1 | Very high | 95.4 | Very high | 205 Ų | 205 | 102.5 Ų | 102.5 | 77% | 0.774 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 174.1 | -73.6 | -73.3 | -175.6 | 171.3 | 1.4 | 112 | E124 A125 S132 | E124-R128 WeakPolarHBondContact O-CB 3.47Å; E124-R128 WeakPolarHBondContact O-CG 3.32Å; E124-R128 PolarHBondContact O-N 3.2Å; A125-R128 PolarHBondContact O-N 3.21Å; R128-S132 WeakPolarHBondContact O-CB 3.46Å; R128-S132 PolarHBondContact O-N 3.15Å |
| 129 | Q | 95.2 | Very high | 95.5 | Very high | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 176 | -163.1 | -160.6 | 71 | 0 | 0 | 111.5 | A125 E126 S132 K133 | A125-Q129 WeakPolarHBondContact O-CB 3.46Å; A125-Q129 PolarHBondContact O-N 2.81Å; E126-Q129 PolarHBondContact O-N 3.26Å; Q129-S132 PolarHBondContact O-N 3.46Å; Q129-K133 HydrophobicContact CG-CD 4.47Å; Q129-K133 WeakPolarHBondContact O-CG 3.37Å; Q129-K133 PolarHBondContact O-N 3.32Å |
| 130 | K | 95.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 99 Ų | 99 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 175.8 | -79.4 | 172.8 | 167.7 | 172.6 | 0 | 111.9 | E126 L127 S132 K133 L134 | E126-K130 HydrophobicContact CG-CD 4.36Å; E126-K130 WeakPolarHBondContact O-CB 3.5Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.45Å; E126-K130 IonicContact OE1-NZ 3.55Å; E126-K130 PolarHBondContact OE1-NZ 3.04Å; L127-K130 PolarHBondContact O-N 3.47Å; K130-S132 PolarHBondContact O-N 2.87Å; K130-K133 PolarHBondContact O-N 3.22Å; K130-L134 WeakPolarHBondContact O-CG 3.46Å; K130-L134 PolarHBondContact O-N 3.14Å |
| 131 | E | 94.7 | Very high | 95.5 | Very high | 73 Ų | 73 | 97.5 Ų | 97.5 | 34% | 0.341 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65 | -39.2 | 176.5 | 177.2 | 52.7 | -158.6 | 0 | 0 | 111.8 | L127 K133 L134 Q135 R138 | L127-E131 WeakPolarHBondContact O-CB 3.28Å; L127-E131 PolarHBondContact O-N 3.04Å; E131-K133 PolarHBondContact O-N 3.48Å; E131-L134 PolarHBondContact O-N 3.46Å; E131-Q135 WeakPolarHBondContact O-CG 3.43Å; E131-Q135 PolarHBondContact O-N 3.42Å; E131-Q135 VanDerWaalsContact OE1-CG 3.3Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.33Å; E131-Q135 PolarHBondContact OE1-NE2 3.41Å; E131-R138 VanDerWaalsContact CD-NH2 3.28Å; E131-R138 IonicContact OE1-CZ 2.69Å; E131-R138 IonicContact OE1-NH1 2.65Å; E131-R138 IonicContact OE1-NH2 2.97Å; E131-R138 PolarHBondContact OE1-NH2 2.84Å; E131-R138 IonicContact OE2-NH2 3.6Å; E131-R138 PolarHBondContact OE2-NH2 3.44Å |
| 132 | S | 95.2 | Very high | 95.5 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 173.7 | -167.3 | 0 | 0 | 0 | 0 | 111.9 | R128 Q129 K130 L134 Q135 E136 | R128-S132 WeakPolarHBondContact O-CB 3.46Å; R128-S132 PolarHBondContact O-N 3.15Å; Q129-S132 PolarHBondContact O-N 3.46Å; K130-S132 PolarHBondContact O-N 2.87Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 3.4Å; S132-Q135 PolarHBondContact O-N 3.46Å; S132-E136 WeakPolarHBondContact O-CB 3.44Å; S132-E136 PolarHBondContact O-N 3.42Å |
| 133 | K | 96.5 | Very high | 95.5 | Very high | 102 Ų | 102 | 96.5 Ų | 96.5 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -35.9 | 175.1 | -73.3 | 170 | 175.2 | 172.5 | 0 | 112.3 | Q129 K130 E131 N137 | Q129-K133 HydrophobicContact CG-CD 4.47Å; Q129-K133 WeakPolarHBondContact O-CG 3.37Å; Q129-K133 PolarHBondContact O-N 3.32Å; K130-K133 PolarHBondContact O-N 3.22Å; E131-K133 PolarHBondContact O-N 3.48Å; K133-N137 WeakPolarHBondContact O-CB 3.41Å; K133-N137 PolarHBondContact O-N 2.95Å; K133-N137 PolarHBondContact O-ND2 3.41Å |
| 134 | L | 95.4 | Very high | 95.7 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 48% | 0.482 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.1 | -35.9 | 174 | -71.4 | 170.9 | 0 | 0 | 0 | 112.2 | K130 E131 S132 R138 | K130-L134 WeakPolarHBondContact O-CG 3.46Å; K130-L134 PolarHBondContact O-N 3.14Å; E131-L134 PolarHBondContact O-N 3.46Å; S132-L134 VanDerWaalsContact C-N 3.32Å; S132-L134 PolarHBondContact O-N 3.4Å; L134-R138 WeakPolarHBondContact O-CB 3.47Å; L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.42Å; L134-R138 PolarHBondContact O-N 3.01Å; L134-R138 PolarHBondContact O-NE 3.25Å |
| 135 | Q | 95.2 | Very high | 95.7 | Very high | 97 Ų | 97 | 102.3 Ų | 102.3 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.9 | -39.6 | 174 | -69.9 | -178.4 | 15.6 | 0 | 0 | 111.9 | E131 S132 R138 K139 | E131-Q135 WeakPolarHBondContact O-CG 3.43Å; E131-Q135 PolarHBondContact O-N 3.42Å; E131-Q135 VanDerWaalsContact OE1-CG 3.3Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.33Å; E131-Q135 PolarHBondContact OE1-NE2 3.41Å; S132-Q135 PolarHBondContact O-N 3.46Å; Q135-R138 VanDerWaalsContact CG-NH2 3.27Å; Q135-R138 PolarHBondContact O-N 2.67Å; Q135-K139 WeakPolarHBondContact O-CG 3.39Å; Q135-K139 PolarHBondContact O-N 3.23Å; Q135-K139 VanDerWaalsContact O-N 3.12Å |
| 136 | E | 95.2 | Very high | 95.8 | Very high | 108 Ų | 108 | 104.6 Ų | 104.6 | 51% | 0.505 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.6 | -51.9 | 173.1 | -175.8 | 171.7 | -157 | 0 | 0 | 111.7 | S132 R138 K139 I140 | S132-E136 WeakPolarHBondContact O-CB 3.44Å; S132-E136 PolarHBondContact O-N 3.42Å; E136-R138 VanDerWaalsContact C-N 3.28Å; E136-R138 PolarHBondContact O-N 3.13Å; E136-K139 WeakPolarHBondContact O-CA 3.5Å; E136-K139 WeakPolarHBondContact O-CB 3.47Å; E136-K139 PolarHBondContact O-N 3.45Å; E136-I140 HydrophobicContact CG-CD1 4.03Å; E136-I140 WeakPolarHBondContact O-CG1 3.3Å; E136-I140 PolarHBondContact O-N 3.43Å |
| 137 | N | 96.4 | Very high | 95.8 | Very high | 83 Ų | 83 | 102.3 Ų | 102.3 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 175.6 | -73.3 | -13.2 | 0 | 0 | 0 | 112.4 | K133 K139 I140 I141 | K133-N137 WeakPolarHBondContact O-CB 3.41Å; K133-N137 PolarHBondContact O-N 2.95Å; K133-N137 PolarHBondContact O-ND2 3.41Å; N137-K139 PolarHBondContact O-N 3.13Å; N137-I140 PolarHBondContact O-N 3.19Å; N137-I141 WeakPolarHBondContact O-CB 3.38Å; N137-I141 WeakPolarHBondContact O-CD1 3.2Å; N137-I141 VanDerWaalsContact O-CG1 3.24Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 2.96Å |
| 138 | R | 96.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 101.7 Ų | 101.7 | 50% | 0.498 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 174.1 | -81.2 | 172.5 | -74.6 | -163.7 | 0.7 | 112.2 | E131 L134 Q135 E136 E142 | E131-R138 VanDerWaalsContact CD-NH2 3.28Å; E131-R138 IonicContact OE1-CZ 2.69Å; E131-R138 IonicContact OE1-NH1 2.65Å; E131-R138 IonicContact OE1-NH2 2.97Å; E131-R138 PolarHBondContact OE1-NH2 2.84Å; E131-R138 IonicContact OE2-NH2 3.6Å; E131-R138 PolarHBondContact OE2-NH2 3.44Å; L134-R138 WeakPolarHBondContact O-CB 3.47Å; L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.42Å; L134-R138 PolarHBondContact O-N 3.01Å; L134-R138 PolarHBondContact O-NE 3.25Å; Q135-R138 VanDerWaalsContact CG-NH2 3.27Å; Q135-R138 PolarHBondContact O-N 2.67Å; E136-R138 VanDerWaalsContact C-N 3.28Å; E136-R138 PolarHBondContact O-N 3.13Å; R138-E142 WeakPolarHBondContact O-CB 3.26Å; R138-E142 PolarHBondContact O-N 2.63Å; R138-E142 VanDerWaalsContact O-N 3.14Å |
| 139 | K | 96.5 | Very high | 96 | Very high | 154 Ų | 154 | 97.5 Ų | 97.5 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.7 | -42.4 | 174.2 | -68.6 | 170.6 | -177.7 | 178.5 | 0 | 112 | Q135 E136 N137 E142 A143 | Q135-K139 WeakPolarHBondContact O-CG 3.39Å; Q135-K139 PolarHBondContact O-N 3.23Å; Q135-K139 VanDerWaalsContact O-N 3.12Å; E136-K139 WeakPolarHBondContact O-CA 3.5Å; E136-K139 WeakPolarHBondContact O-CB 3.47Å; E136-K139 PolarHBondContact O-N 3.45Å; N137-K139 PolarHBondContact O-N 3.13Å; K139-E142 PolarHBondContact O-N 2.78Å; K139-A143 WeakPolarHBondContact O-CB 3.33Å; K139-A143 PolarHBondContact O-N 3.02Å |
| 140 | I | 96.3 | Very high | 96 | Very high | 76 Ų | 76 | 99 Ų | 99 | 39% | 0.39 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 178.5 | -66.5 | 167.6 | 0 | 0 | 0 | 110.8 | E136 N137 E142 A143 Q144 | E136-I140 HydrophobicContact CG-CD1 4.03Å; E136-I140 WeakPolarHBondContact O-CG1 3.3Å; E136-I140 PolarHBondContact O-N 3.43Å; N137-I140 PolarHBondContact O-N 3.19Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 2.94Å; I140-A143 PolarHBondContact O-N 2.69Å; I140-Q144 HydrophobicContact CG2-CG 4.4Å; I140-Q144 WeakPolarHBondContact O-CB 3.23Å; I140-Q144 WeakPolarHBondContact O-CG 3.44Å; I140-Q144 PolarHBondContact O-N 3.35Å |
| 141 | I | 96.7 | Very high | 96 | Very high | 81 Ų | 81 | 99.2 Ų | 99.2 | 42% | 0.415 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.2 | -70.9 | 164.7 | 0 | 0 | 0 | 111 | N137 Q144 R145 | N137-I141 WeakPolarHBondContact O-CB 3.38Å; N137-I141 WeakPolarHBondContact O-CD1 3.2Å; N137-I141 VanDerWaalsContact O-CG1 3.24Å; N137-I141 WeakPolarHBondContact O-CG1 3.47Å; N137-I141 PolarHBondContact O-N 2.96Å; I141-Q144 PolarHBondContact O-N 2.97Å; I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 VanDerWaalsContact O-CG 3.23Å; I141-R145 WeakPolarHBondContact O-CG 3.44Å; I141-R145 PolarHBondContact O-N 3.19Å |
| 142 | E | 96.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 101.5 Ų | 101.5 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.2 | -36.6 | 178.9 | -172.4 | 57.9 | -160.8 | 0 | 0 | 112.8 | R138 K139 I140 R145 K146 | R138-E142 WeakPolarHBondContact O-CB 3.26Å; R138-E142 PolarHBondContact O-N 2.63Å; R138-E142 VanDerWaalsContact O-N 3.14Å; K139-E142 PolarHBondContact O-N 2.78Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 2.94Å; E142-R145 PolarHBondContact O-N 3.32Å; E142-R145 IonicContact OE2-NH1 3.7Å; E142-K146 WeakPolarHBondContact O-CG 3.4Å; E142-K146 PolarHBondContact O-N 2.99Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 2.64Å |
| 143 | A | 95.6 | Very high | 96.1 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K139 I140 R145 K146 A147 | K139-A143 WeakPolarHBondContact O-CB 3.33Å; K139-A143 PolarHBondContact O-N 3.02Å; I140-A143 PolarHBondContact O-N 2.69Å; A143-R145 PolarHBondContact O-N 3.42Å; A143-K146 PolarHBondContact O-N 3.47Å; A143-A147 PolarHBondContact O-N 3.37Å |
| 144 | Q | 96.9 | Very high | 96.1 | Very high | 114 Ų | 114 | 101.2 Ų | 101.2 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 175.7 | -74.6 | 175.5 | -23.4 | 0 | 0 | 112.1 | I140 I141 K146 A147 I148 | I140-Q144 HydrophobicContact CG2-CG 4.4Å; I140-Q144 WeakPolarHBondContact O-CB 3.23Å; I140-Q144 WeakPolarHBondContact O-CG 3.44Å; I140-Q144 PolarHBondContact O-N 3.35Å; I141-Q144 PolarHBondContact O-N 2.97Å; Q144-K146 PolarHBondContact O-N 2.94Å; Q144-A147 PolarHBondContact O-N 2.91Å; Q144-I148 WeakPolarHBondContact O-CB 3.32Å; Q144-I148 WeakPolarHBondContact O-CD1 3.43Å; Q144-I148 VanDerWaalsContact O-CG1 3.24Å; Q144-I148 WeakPolarHBondContact O-CG1 3.43Å; Q144-I148 PolarHBondContact O-N 3.47Å |
| 145 | R | 95.9 | Very high | 96.1 | Very high | 146 Ų | 146 | 101.8 Ų | 101.8 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 174.6 | -79 | 166 | 170.5 | -165.5 | -5.3 | 112.3 | I141 E142 A143 I148 Q149 | I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 VanDerWaalsContact O-CG 3.23Å; I141-R145 WeakPolarHBondContact O-CG 3.44Å; I141-R145 PolarHBondContact O-N 3.19Å; E142-R145 PolarHBondContact O-N 3.32Å; E142-R145 IonicContact OE2-NH1 3.7Å; A143-R145 PolarHBondContact O-N 3.42Å; R145-I148 PolarHBondContact O-N 3.08Å; R145-Q149 WeakPolarHBondContact O-CG 3.35Å; R145-Q149 PolarHBondContact O-N 3.2Å |
| 146 | K | 96.8 | Very high | 96.2 | Very high | 105 Ų | 105 | 102.8 Ų | 102.8 | 46% | 0.457 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.2 | -45 | 178.2 | -69.9 | 175.5 | -177.2 | 179.7 | 0 | 111.9 | E142 A143 Q144 I148 Q149 E150 | E142-K146 WeakPolarHBondContact O-CG 3.4Å; E142-K146 PolarHBondContact O-N 2.99Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.45Å; E142-K146 IonicContact OE1-NZ 2.64Å; A143-K146 PolarHBondContact O-N 3.47Å; Q144-K146 PolarHBondContact O-N 2.94Å; K146-I148 VanDerWaalsContact C-N 3.28Å; K146-I148 PolarHBondContact O-N 2.77Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 3.07Å; K146-Q149 VanDerWaalsContact O-N 3.11Å; K146-E150 WeakPolarHBondContact O-CG 3.21Å; K146-E150 PolarHBondContact O-N 2.76Å |
| 147 | A | 95.8 | Very high | 96.3 | Very high | 46 Ų | 46 | 103.6 Ų | 103.6 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A143 Q144 L151 | A143-A147 PolarHBondContact O-N 3.37Å; Q144-A147 PolarHBondContact O-N 2.91Å; A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 VanDerWaalsContact O-CG 3.23Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 3.34Å |
| 148 | I | 96.7 | Very high | 96.3 | Very high | 93 Ų | 93 | 104.2 Ų | 104.2 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 174.6 | -70.9 | 164.1 | 0 | 0 | 0 | 111.4 | Q144 R145 K146 L151 Q152 | Q144-I148 WeakPolarHBondContact O-CB 3.32Å; Q144-I148 WeakPolarHBondContact O-CD1 3.43Å; Q144-I148 VanDerWaalsContact O-CG1 3.24Å; Q144-I148 WeakPolarHBondContact O-CG1 3.43Å; Q144-I148 PolarHBondContact O-N 3.47Å; R145-I148 PolarHBondContact O-N 3.08Å; K146-I148 VanDerWaalsContact C-N 3.28Å; K146-I148 PolarHBondContact O-N 2.77Å; I148-L151 PolarHBondContact O-N 3.06Å; I148-Q152 HydrophobicContact CG2-CG 4.46Å; I148-Q152 WeakPolarHBondContact O-CB 3.4Å; I148-Q152 VanDerWaalsContact O-CG 3.24Å; I148-Q152 WeakPolarHBondContact O-CG 3.47Å; I148-Q152 PolarHBondContact O-N 2.76Å |
| 149 | Q | 96.1 | Very high | 96.3 | Very high | 118 Ų | 118 | 101.3 Ų | 101.3 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 176.4 | -73.3 | 169 | -23.1 | 0 | 0 | 112.1 | R145 K146 Q152 F153 | R145-Q149 WeakPolarHBondContact O-CG 3.35Å; R145-Q149 PolarHBondContact O-N 3.2Å; K146-Q149 WeakPolarHBondContact O-CB 3.45Å; K146-Q149 PolarHBondContact O-N 3.07Å; K146-Q149 VanDerWaalsContact O-N 3.11Å; Q149-Q152 PolarHBondContact O-N 2.99Å; Q149-F153 PolarHBondContact O-N 3.28Å |
| 150 | E | 95.6 | Very high | 96.3 | Very high | 142 Ų | 142 | 99 Ų | 99 | 66% | 0.664 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65 | -40.9 | 175.8 | -72.3 | 170.8 | -167.4 | 0 | 0 | 111.7 | K146 F153 G154 | K146-E150 WeakPolarHBondContact O-CG 3.21Å; K146-E150 PolarHBondContact O-N 2.76Å; E150-F153 PolarHBondContact O-N 3.35Å; E150-G154 PolarHBondContact O-N 3.2Å |
| 151 | L | 96.8 | Very high | 96.4 | Very high | 113 Ų | 113 | 102 Ų | 102 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -37.3 | 173.2 | -73.8 | 169.4 | 0 | 0 | 0 | 112.6 | A147 I148 G154 N155 | A147-L151 WeakPolarHBondContact O-CB 3.49Å; A147-L151 VanDerWaalsContact O-CG 3.23Å; A147-L151 WeakPolarHBondContact O-CG 3.33Å; A147-L151 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 3.06Å; L151-G154 PolarHBondContact O-N 3.11Å; L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.1Å; L151-N155 PolarHBondContact O-ND2 3.1Å |
| 152 | Q | 95.6 | Very high | 96.4 | Very high | 120 Ų | 120 | 103.4 Ų | 103.4 | 56% | 0.561 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63 | -49.2 | 174.5 | -77.7 | 169.2 | -19.3 | 0 | 0 | 111.2 | I148 Q149 G154 N155 E156 | I148-Q152 HydrophobicContact CG2-CG 4.46Å; I148-Q152 WeakPolarHBondContact O-CB 3.4Å; I148-Q152 VanDerWaalsContact O-CG 3.24Å; I148-Q152 WeakPolarHBondContact O-CG 3.47Å; I148-Q152 PolarHBondContact O-N 2.76Å; Q149-Q152 PolarHBondContact O-N 2.99Å; Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 3.38Å; Q152-N155 PolarHBondContact O-N 2.96Å; Q152-E156 WeakPolarHBondContact O-CB 3.42Å; Q152-E156 PolarHBondContact O-N 2.58Å |
| 153 | F | 95.8 | Very high | 96.4 | Very high | 136 Ų | 136 | 104.6 Ų | 104.6 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 176.5 | -176.1 | -110.7 | 0 | 0 | 0 | 112.6 | Q149 E150 K157 | Q149-F153 PolarHBondContact O-N 3.28Å; E150-F153 PolarHBondContact O-N 3.35Å; F153-K157 VanDerWaalsContact O-CB 3.29Å; F153-K157 WeakPolarHBondContact O-CB 3.47Å; F153-K157 PolarHBondContact O-N 3.32Å |
| 154 | G | 96.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 107.7 Ų | 107.7 | 31% | 0.309 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E150 L151 Q152 K157 V158 | E150-G154 PolarHBondContact O-N 3.2Å; L151-G154 PolarHBondContact O-N 3.11Å; Q152-G154 VanDerWaalsContact C-N 3.34Å; Q152-G154 PolarHBondContact O-N 3.38Å; G154-K157 PolarHBondContact O-N 3.45Å; G154-V158 WeakPolarHBondContact O-CG2 3.18Å; G154-V158 PolarHBondContact O-N 3.36Å |
| 155 | N | 95.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 103.9 Ų | 103.9 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -40.3 | 177.6 | -74.1 | -24.8 | 0 | 0 | 0 | 112.4 | L151 Q152 V158 S159 | L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.1Å; L151-N155 PolarHBondContact O-ND2 3.1Å; Q152-N155 PolarHBondContact O-N 2.96Å; N155-V158 PolarHBondContact O-N 3.18Å; N155-S159 VanDerWaalsContact O-CB 3.31Å; N155-S159 WeakPolarHBondContact O-CB 3.33Å; N155-S159 PolarHBondContact O-N 3.18Å; N155-S159 PolarHBondContact O-OG 3.43Å |
| 156 | E | 96.8 | Very high | 96.5 | Very high | 118 Ų | 118 | 100.2 Ų | 100.2 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -49.4 | 174.3 | -177.4 | 174.4 | -153.6 | 0 | 0 | 110.9 | Q152 V158 S159 L160 | Q152-E156 WeakPolarHBondContact O-CB 3.42Å; Q152-E156 PolarHBondContact O-N 2.58Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.47Å; E156-S159 PolarHBondContact O-N 2.91Å; E156-S159 VanDerWaalsContact O-N 3.1Å; E156-L160 HydrophobicContact CG-CD1 4.38Å; E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 3.12Å |
| 157 | K | 96.6 | Very high | 96.5 | Very high | 126 Ų | 126 | 99 Ų | 99 | 55% | 0.548 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.6 | -35 | 177.6 | -174.5 | 175.2 | -177.4 | 175.7 | 0 | 113.5 | F153 G154 K161 | F153-K157 VanDerWaalsContact O-CB 3.29Å; F153-K157 WeakPolarHBondContact O-CB 3.47Å; F153-K157 PolarHBondContact O-N 3.32Å; G154-K157 PolarHBondContact O-N 3.45Å; K157-K161 WeakPolarHBondContact O-CG 3.33Å; K157-K161 PolarHBondContact O-N 3.17Å |
| 158 | V | 97.7 | Very high | 96.6 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -73.9 | -37.6 | 173.6 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | G154 N155 E156 K161 L162 | G154-V158 WeakPolarHBondContact O-CG2 3.18Å; G154-V158 PolarHBondContact O-N 3.36Å; N155-V158 PolarHBondContact O-N 3.18Å; E156-V158 VanDerWaalsContact C-N 3.31Å; E156-V158 PolarHBondContact O-N 3.47Å; V158-K161 PolarHBondContact O-N 2.92Å; V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 PolarHBondContact O-N 3.47Å |
| 159 | S | 96.1 | Very high | 96.6 | Very high | 72 Ų | 72 | 102.8 Ų | 102.8 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | 178.6 | -57.8 | 0 | 0 | 0 | 0 | 112.2 | N155 E156 L162 E163 | N155-S159 VanDerWaalsContact O-CB 3.31Å; N155-S159 WeakPolarHBondContact O-CB 3.33Å; N155-S159 PolarHBondContact O-N 3.18Å; N155-S159 PolarHBondContact O-OG 3.43Å; E156-S159 PolarHBondContact O-N 2.91Å; E156-S159 VanDerWaalsContact O-N 3.1Å; S159-L162 WeakPolarHBondContact O-CB 3.29Å; S159-L162 PolarHBondContact O-N 3.31Å; S159-E163 PolarHBondContact O-N 3.39Å |
| 160 | L | 96.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 101.6 Ų | 101.6 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.6 | -49.5 | 173 | -71.3 | 170.5 | 0 | 0 | 0 | 111 | E156 L162 E163 E164 | E156-L160 HydrophobicContact CG-CD1 4.38Å; E156-L160 WeakPolarHBondContact O-CG 3.46Å; E156-L160 PolarHBondContact O-N 3.12Å; L160-L162 PolarHBondContact O-N 3.06Å; L160-E163 PolarHBondContact O-N 2.91Å; L160-E164 WeakPolarHBondContact O-CG 3.36Å; L160-E164 PolarHBondContact O-N 3.41Å |
| 161 | K | 97.4 | Very high | 96.7 | Very high | 139 Ų | 139 | 98.1 Ų | 98.1 | 60% | 0.604 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.9 | -31.6 | 175 | -76.8 | -169.5 | 167.2 | -147 | 0 | 114 | K157 V158 G165 | K157-K161 WeakPolarHBondContact O-CG 3.33Å; K157-K161 PolarHBondContact O-N 3.17Å; V158-K161 PolarHBondContact O-N 2.92Å; K161-G165 PolarHBondContact O-N 3.01Å |
| 162 | L | 97 | Very high | 96.8 | Very high | 110 Ų | 110 | 97 Ų | 97 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.4 | -43.5 | 176.4 | -178.5 | 59.6 | 0 | 0 | 0 | 111.1 | V158 S159 L160 G165 I166 | V158-L162 WeakPolarHBondContact O-CB 3.47Å; V158-L162 PolarHBondContact O-N 3.47Å; S159-L162 WeakPolarHBondContact O-CB 3.29Å; S159-L162 PolarHBondContact O-N 3.31Å; L160-L162 PolarHBondContact O-N 3.06Å; L162-G165 PolarHBondContact O-N 3.26Å; L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.32Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 VanDerWaalsContact O-CB 3.24Å; L162-I166 WeakPolarHBondContact O-CB 3.47Å; L162-I166 WeakPolarHBondContact O-CD1 3.41Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 2.89Å |
| 163 | E | 96.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 95.2 Ų | 95.2 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.6 | -36.8 | 174.9 | -169.6 | 59.6 | -136.4 | 0 | 0 | 112 | S159 L160 I166 Q167 K170 | S159-E163 PolarHBondContact O-N 3.39Å; L160-E163 PolarHBondContact O-N 2.91Å; E163-I166 PolarHBondContact O-N 3.37Å; E163-Q167 WeakPolarHBondContact O-CB 3.49Å; E163-Q167 PolarHBondContact O-N 3.45Å; E163-K170 IonicContact OE1-NZ 2.68Å; E163-K170 PolarHBondContact OE1-NZ 2.89Å |
| 164 | E | 97 | Very high | 96.9 | Very high | 126 Ų | 126 | 95.4 Ų | 95.4 | 59% | 0.589 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -54.4 | -53.9 | 170.5 | -74.4 | 169.8 | 173.7 | 0 | 0 | 111 | L160 I166 Q167 E168 | L160-E164 WeakPolarHBondContact O-CG 3.36Å; L160-E164 PolarHBondContact O-N 3.41Å; E164-I166 PolarHBondContact O-N 2.91Å; E164-Q167 PolarHBondContact O-N 3.44Å; E164-E168 PolarHBondContact O-N 3Å |
| 165 | G | 96.6 | Very high | 97 | Very high | 34 Ų | 34 | 99.9 Ų | 99.9 | 35% | 0.351 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -30.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114 | K161 L162 N169 | K161-G165 PolarHBondContact O-N 3.01Å; L162-G165 PolarHBondContact O-N 3.26Å; G165-N169 VanDerWaalsContact O-CB 3.25Å; G165-N169 WeakPolarHBondContact O-CB 3.5Å; G165-N169 PolarHBondContact O-N 3.35Å |
| 166 | I | 96.8 | Very high | 97.1 | Very high | 70 Ų | 70 | 99.1 Ų | 99.1 | 36% | 0.359 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 171.2 | -79.7 | 168.7 | 0 | 0 | 0 | 110.4 | L162 E163 E164 K170 | L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.32Å; L162-I166 HydrophobicContact CG-CD1 3.85Å; L162-I166 VanDerWaalsContact O-CB 3.24Å; L162-I166 WeakPolarHBondContact O-CB 3.47Å; L162-I166 WeakPolarHBondContact O-CD1 3.41Å; L162-I166 WeakPolarHBondContact O-CG1 3.47Å; L162-I166 PolarHBondContact O-N 2.89Å; E163-I166 PolarHBondContact O-N 3.37Å; E164-I166 PolarHBondContact O-N 2.91Å; I166-K170 WeakPolarHBondContact O-CE 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 2.81Å |
| 167 | Q | 96.9 | Very high | 97.1 | Very high | 79 Ų | 79 | 97.2 Ų | 97.2 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.2 | -45.6 | 176.8 | -175.1 | 55.7 | 42.6 | 0 | 0 | 112.1 | E163 E164 N169 K170 D171 | E163-Q167 WeakPolarHBondContact O-CB 3.49Å; E163-Q167 PolarHBondContact O-N 3.45Å; E164-Q167 PolarHBondContact O-N 3.44Å; Q167-N169 VanDerWaalsContact C-N 3.26Å; Q167-N169 PolarHBondContact O-N 3.06Å; Q167-K170 WeakPolarHBondContact O-CB 3.5Å; Q167-K170 PolarHBondContact O-N 3.34Å; Q167-K170 VanDerWaalsContact O-N 3.08Å; Q167-D171 PolarHBondContact NE2-OD2 2.93Å; Q167-D171 PolarHBondContact O-N 2.92Å |
| 168 | E | 97.4 | Very high | 97.2 | Very high | 128 Ų | 128 | 94.1 Ų | 94.1 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.9 | -45.3 | 173 | -175.1 | -177.8 | -174.2 | 0 | 0 | 110.9 | E164 K170 D171 L172 | E164-E168 PolarHBondContact O-N 3Å; E168-K170 PolarHBondContact O-N 2.9Å; E168-D171 PolarHBondContact O-N 3.35Å; E168-L172 HydrophobicContact CG-CD1 4Å; E168-L172 HydrophobicContact CG-CG 4.42Å; E168-L172 WeakPolarHBondContact O-CB 3.32Å; E168-L172 WeakPolarHBondContact O-CG 3.07Å; E168-L172 PolarHBondContact O-N 3.13Å |
| 169 | N | 97.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 92.8 Ų | 92.8 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.9 | -38.5 | 176.8 | -170.2 | 21.5 | 0 | 0 | 0 | 113 | G165 Q167 D171 L172 I173 | G165-N169 VanDerWaalsContact O-CB 3.25Å; G165-N169 WeakPolarHBondContact O-CB 3.5Å; G165-N169 PolarHBondContact O-N 3.35Å; Q167-N169 VanDerWaalsContact C-N 3.26Å; Q167-N169 PolarHBondContact O-N 3.06Å; N169-D171 VanDerWaalsContact C-N 3.31Å; N169-D171 PolarHBondContact O-N 2.88Å; N169-L172 PolarHBondContact O-N 3.46Å; N169-I173 WeakPolarHBondContact O-CB 3.3Å; N169-I173 WeakPolarHBondContact O-CD1 3.42Å; N169-I173 WeakPolarHBondContact O-CG1 3.24Å; N169-I173 PolarHBondContact O-N 3.01Å |
| 170 | K | 97.7 | Very high | 97.2 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 40% | 0.404 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 172.6 | -72 | 168.7 | -129.8 | 157.9 | 0 | 111 | E163 I166 Q167 E168 K174 | E163-K170 IonicContact OE1-NZ 2.68Å; E163-K170 PolarHBondContact OE1-NZ 2.89Å; I166-K170 WeakPolarHBondContact O-CE 3.47Å; I166-K170 WeakPolarHBondContact O-CG 3.45Å; I166-K170 PolarHBondContact O-N 2.81Å; Q167-K170 WeakPolarHBondContact O-CB 3.5Å; Q167-K170 PolarHBondContact O-N 3.34Å; Q167-K170 VanDerWaalsContact O-N 3.08Å; E168-K170 PolarHBondContact O-N 2.9Å; K170-K174 WeakPolarHBondContact O-CB 3.25Å; K170-K174 PolarHBondContact O-N 3.43Å; K170-K174 VanDerWaalsContact O-N 3.07Å |
| 171 | D | 96.6 | Very high | 97.3 | Very high | 69 Ų | 69 | 95.4 Ų | 95.4 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -74.6 | -38 | -178.6 | -74.8 | -52.5 | 0 | 0 | 0 | 112.7 | Q167 E168 N169 I173 K174 E175 | Q167-D171 PolarHBondContact NE2-OD2 2.93Å; Q167-D171 PolarHBondContact O-N 2.92Å; E168-D171 PolarHBondContact O-N 3.35Å; N169-D171 VanDerWaalsContact C-N 3.31Å; N169-D171 PolarHBondContact O-N 2.88Å; D171-I173 VanDerWaalsContact C-N 3.34Å; D171-I173 PolarHBondContact O-N 2.69Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.69Å; D171-K174 IonicContact OD1-NZ 3.44Å; D171-E175 PolarHBondContact O-N 3.49Å |
| 172 | L | 97.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 93.4 Ų | 93.4 | 46% | 0.461 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.9 | -38.5 | 170.6 | -73.3 | 171.7 | 0 | 0 | 0 | 112.4 | E168 N169 N176 | E168-L172 HydrophobicContact CG-CD1 4Å; E168-L172 HydrophobicContact CG-CG 4.42Å; E168-L172 WeakPolarHBondContact O-CB 3.32Å; E168-L172 WeakPolarHBondContact O-CG 3.07Å; E168-L172 PolarHBondContact O-N 3.13Å; N169-L172 PolarHBondContact O-N 3.46Å; L172-N176 WeakPolarHBondContact O-CB 3.45Å; L172-N176 PolarHBondContact O-N 3.03Å |
| 173 | I | 97.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 90.8 Ų | 90.8 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 173.7 | -73 | 165.4 | 0 | 0 | 0 | 110.5 | N169 D171 N177 | N169-I173 WeakPolarHBondContact O-CB 3.3Å; N169-I173 WeakPolarHBondContact O-CD1 3.42Å; N169-I173 WeakPolarHBondContact O-CG1 3.24Å; N169-I173 PolarHBondContact O-N 3.01Å; D171-I173 VanDerWaalsContact C-N 3.34Å; D171-I173 PolarHBondContact O-N 2.69Å; I173-N177 WeakPolarHBondContact O-CB 3.47Å; I173-N177 PolarHBondContact O-N 3.31Å; I173-N177 PolarHBondContact O-ND2 3.5Å |
| 174 | K | 97.6 | Very high | 97.4 | Very high | 141 Ų | 141 | 89.1 Ų | 89.1 | 61% | 0.613 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -44.3 | 176.7 | 174.1 | -176.3 | 165.5 | -163.1 | 0 | 111.9 | K170 D171 N177 A178 | K170-K174 WeakPolarHBondContact O-CB 3.25Å; K170-K174 PolarHBondContact O-N 3.43Å; K170-K174 VanDerWaalsContact O-N 3.07Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.69Å; D171-K174 IonicContact OD1-NZ 3.44Å; K174-N177 PolarHBondContact O-N 3.48Å; K174-A178 PolarHBondContact O-N 3.04Å |
| 175 | E | 97.1 | Very high | 97.4 | Very high | 123 Ų | 123 | 86.6 Ų | 86.6 | 58% | 0.575 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.1 | -50.7 | 174.8 | -172.3 | -173.4 | 163.7 | 0 | 0 | 111.5 | D171 N177 A178 T179 | D171-E175 PolarHBondContact O-N 3.49Å; E175-N177 PolarHBondContact O-N 3.22Å; E175-A178 WeakPolarHBondContact O-CB 3.49Å; E175-A178 PolarHBondContact O-N 3.1Å; E175-T179 WeakPolarHBondContact O-CB 3.36Å; E175-T179 PolarHBondContact O-N 3.02Å; E175-T179 PolarHBondContact O-OG1 2.96Å |
| 176 | N | 97.8 | Very high | 97.4 | Very high | 89 Ų | 89 | 89.6 Ų | 89.6 | 48% | 0.476 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.1 | -36 | 177.5 | -175.7 | 4.8 | 0 | 0 | 0 | 111.9 | L172 R180 | L172-N176 WeakPolarHBondContact O-CB 3.45Å; L172-N176 PolarHBondContact O-N 3.03Å; N176-R180 PolarHBondContact ND2-NH2 3.07Å; N176-R180 VanDerWaalsContact O-CB 3.26Å; N176-R180 WeakPolarHBondContact O-CB 3.46Å; N176-R180 PolarHBondContact O-N 3.47Å; N176-R180 PolarHBondContact OD1-NH2 2.67Å |
| 177 | N | 97.8 | Very high | 97.5 | Very high | 78 Ų | 78 | 92.7 Ų | 92.7 | 42% | 0.417 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.7 | -41.8 | 173.7 | -70.3 | -20.2 | 0 | 0 | 0 | 112.6 | I173 K174 E175 R180 H181 | I173-N177 WeakPolarHBondContact O-CB 3.47Å; I173-N177 PolarHBondContact O-N 3.31Å; I173-N177 PolarHBondContact O-ND2 3.5Å; K174-N177 PolarHBondContact O-N 3.48Å; E175-N177 PolarHBondContact O-N 3.22Å; N177-R180 PolarHBondContact O-N 3.13Å; N177-R180 PolarHBondContact OD1-NH1 2.73Å; N177-H181 PolarHBondContact O-N 2.97Å |
| 178 | A | 97.6 | Very high | 97.5 | Very high | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K174 E175 R180 H181 L182 | K174-A178 PolarHBondContact O-N 3.04Å; E175-A178 WeakPolarHBondContact O-CB 3.49Å; E175-A178 PolarHBondContact O-N 3.1Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 3.13Å; A178-H181 WeakPolarHBondContact O-CB 3.27Å; A178-H181 PolarHBondContact O-N 3.1Å; A178-H181 VanDerWaalsContact O-N 3.16Å; A178-L182 PolarHBondContact O-N 3.08Å |
| 179 | T | 97.5 | Very high | 97.5 | Very high | 67 Ų | 67 | 91.3 Ų | 91.3 | 41% | 0.411 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | E175 H181 L182 C183 | E175-T179 WeakPolarHBondContact O-CB 3.36Å; E175-T179 PolarHBondContact O-N 3.02Å; E175-T179 PolarHBondContact O-OG1 2.96Å; T179-H181 PolarHBondContact O-N 3.49Å; T179-L182 PolarHBondContact O-N 3.38Å; T179-C183 WeakPolarHBondContact O-CB 3.3Å; T179-C183 PolarHBondContact O-N 3Å; T179-C183 PolarHBondContact O-SG 3.39Å |
| 180 | R | 97.5 | Very high | 97.5 | Very high | 112 Ų | 112 | 91 Ų | 91 | 42% | 0.423 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 174.6 | -166.1 | 178.7 | -50.8 | 107.8 | 12.8 | 112.7 | N176 N177 A178 C183 N184 | N176-R180 PolarHBondContact ND2-NH2 3.07Å; N176-R180 VanDerWaalsContact O-CB 3.26Å; N176-R180 WeakPolarHBondContact O-CB 3.46Å; N176-R180 PolarHBondContact O-N 3.47Å; N176-R180 PolarHBondContact OD1-NH2 2.67Å; N177-R180 PolarHBondContact O-N 3.13Å; N177-R180 PolarHBondContact OD1-NH1 2.73Å; A178-R180 VanDerWaalsContact C-N 3.33Å; A178-R180 PolarHBondContact O-N 3.13Å; R180-C183 PolarHBondContact O-N 3.33Å; R180-N184 PolarHBondContact O-N 3.01Å; R180-N184 VanDerWaalsContact O-N 3.08Å |
| 181 | H | 97.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 89.5 Ų | 89.5 | 56% | 0.56 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -45 | 173.7 | -179.9 | 50.7 | 0 | 0 | 0 | 111.5 | N177 A178 T179 C183 N184 L185 | N177-H181 PolarHBondContact O-N 2.97Å; A178-H181 WeakPolarHBondContact O-CB 3.27Å; A178-H181 PolarHBondContact O-N 3.1Å; A178-H181 VanDerWaalsContact O-N 3.16Å; T179-H181 PolarHBondContact O-N 3.49Å; H181-C183 PolarHBondContact O-N 2.86Å; H181-N184 PolarHBondContact O-N 3.09Å; H181-N184 VanDerWaalsContact O-N 3.1Å; H181-L185 PolarHBondContact O-N 3.4Å |
| 182 | L | 97.9 | Very high | 97.5 | Very high | 96 Ų | 96 | 93.3 Ų | 93.3 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.1 | -44.8 | 173.4 | 179.1 | 60.6 | 0 | 0 | 0 | 111.9 | A178 T179 N184 L185 L186 | A178-L182 PolarHBondContact O-N 3.08Å; T179-L182 PolarHBondContact O-N 3.38Å; L182-N184 PolarHBondContact O-N 3.1Å; L182-L185 PolarHBondContact O-N 2.85Å; L182-L186 HydrophobicContact CD1-CD1 4.31Å; L182-L186 HydrophobicContact CD1-CG 4.3Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 2.88Å |
| 183 | C | 97.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 92.4 Ų | 92.4 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -31.4 | 175 | -70.5 | 0 | 0 | 0 | 0 | 113.1 | T179 R180 H181 K187 | T179-C183 WeakPolarHBondContact O-CB 3.3Å; T179-C183 PolarHBondContact O-N 3Å; T179-C183 PolarHBondContact O-SG 3.39Å; R180-C183 PolarHBondContact O-N 3.33Å; H181-C183 PolarHBondContact O-N 2.86Å; C183-K187 WeakPolarHBondContact O-CD 3.15Å; C183-K187 VanDerWaalsContact O-CG 3.22Å; C183-K187 WeakPolarHBondContact O-CG 3.04Å; C183-K187 PolarHBondContact O-N 2.85Å |
| 184 | N | 97.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 91.4 Ų | 91.4 | 36% | 0.358 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -75 | -45.5 | 175.7 | -70.8 | -8.8 | 0 | 0 | 0 | 111.6 | R180 H181 L182 L186 K187 E188 | R180-N184 PolarHBondContact O-N 3.01Å; R180-N184 VanDerWaalsContact O-N 3.08Å; H181-N184 PolarHBondContact O-N 3.09Å; H181-N184 VanDerWaalsContact O-N 3.1Å; L182-N184 PolarHBondContact O-N 3.1Å; N184-L186 VanDerWaalsContact C-N 3.25Å; N184-L186 PolarHBondContact O-N 3.39Å; N184-K187 WeakPolarHBondContact O-CB 3.41Å; N184-K187 PolarHBondContact O-N 3.35Å; N184-K187 VanDerWaalsContact O-N 3.07Å; N184-E188 WeakPolarHBondContact O-CG 3.47Å; N184-E188 PolarHBondContact O-N 2.77Å |
| 185 | L | 97.8 | Very high | 97.4 | Very high | 73 Ų | 73 | 91.4 Ų | 91.4 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.5 | -39.3 | 172.3 | -72.1 | 167.9 | 0 | 0 | 0 | 112.3 | H181 L182 T189 | H181-L185 PolarHBondContact O-N 3.4Å; L182-L185 PolarHBondContact O-N 2.85Å; L185-T189 VanDerWaalsContact O-CB 3.31Å; L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 2.86Å; L185-T189 PolarHBondContact O-OG1 2.75Å |
| 186 | L | 97.3 | Very high | 97.4 | Very high | 96 Ų | 96 | 91.3 Ų | 91.3 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 173.7 | -71.6 | 171 | 0 | 0 | 0 | 111.5 | L182 N184 E188 T189 C190 | L182-L186 HydrophobicContact CD1-CD1 4.31Å; L182-L186 HydrophobicContact CD1-CG 4.3Å; L182-L186 HydrophobicContact CG-CD1 4.08Å; L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.36Å; L182-L186 PolarHBondContact O-N 2.88Å; N184-L186 VanDerWaalsContact C-N 3.25Å; N184-L186 PolarHBondContact O-N 3.39Å; L186-E188 PolarHBondContact O-N 3.19Å; L186-T189 PolarHBondContact O-N 2.9Å; L186-C190 WeakPolarHBondContact O-CB 3.37Å; L186-C190 PolarHBondContact O-N 3.25Å; L186-C190 PolarHBondContact O-SG 3.35Å |
| 187 | K | 97.8 | Very high | 97.3 | Very high | 136 Ų | 136 | 90.4 Ų | 90.4 | 59% | 0.591 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.4 | -45.8 | 175.2 | -75.3 | 165.8 | -173.9 | 171.6 | 0 | 112.5 | C183 N184 T189 C190 A191 | C183-K187 WeakPolarHBondContact O-CD 3.15Å; C183-K187 VanDerWaalsContact O-CG 3.22Å; C183-K187 WeakPolarHBondContact O-CG 3.04Å; C183-K187 PolarHBondContact O-N 2.85Å; N184-K187 WeakPolarHBondContact O-CB 3.41Å; N184-K187 PolarHBondContact O-N 3.35Å; N184-K187 VanDerWaalsContact O-N 3.07Å; K187-T189 VanDerWaalsContact C-N 3.26Å; K187-T189 PolarHBondContact O-N 2.7Å; K187-C190 PolarHBondContact O-N 2.93Å; K187-A191 WeakPolarHBondContact O-CB 3.29Å; K187-A191 PolarHBondContact O-N 2.95Å |
| 188 | E | 97.9 | Very high | 97.3 | Very high | 108 Ų | 108 | 94.3 Ų | 94.3 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.3 | -34.5 | 176.5 | -71.7 | 166.6 | -151.8 | 0 | 0 | 112 | N184 L186 R192 | N184-E188 WeakPolarHBondContact O-CG 3.47Å; N184-E188 PolarHBondContact O-N 2.77Å; L186-E188 PolarHBondContact O-N 3.19Å; E188-R192 WeakPolarHBondContact O-CB 3.5Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.43Å; E188-R192 PolarHBondContact O-N 2.84Å; E188-R192 VanDerWaalsContact O-N 3.09Å; E188-R192 PolarHBondContact O-NE 3.42Å; E188-R192 VanDerWaalsContact O-NE 3.1Å |
| 189 | T | 97.3 | Very high | 97.3 | Very high | 69 Ų | 69 | 97.3 Ų | 97.3 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -75.3 | -40.2 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | L185 L186 K187 R192 S193 | L185-T189 VanDerWaalsContact O-CB 3.31Å; L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 2.86Å; L185-T189 PolarHBondContact O-OG1 2.75Å; L186-T189 PolarHBondContact O-N 2.9Å; K187-T189 VanDerWaalsContact C-N 3.26Å; K187-T189 PolarHBondContact O-N 2.7Å; T189-R192 PolarHBondContact OG1-NH2 3.42Å; T189-S193 WeakPolarHBondContact O-CB 3.27Å; T189-S193 PolarHBondContact O-N 3.13Å |
| 190 | C | 96.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 100.2 Ų | 100.2 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -39.9 | 171 | -69.5 | 0 | 0 | 0 | 0 | 112.3 | L186 K187 S193 A194 | L186-C190 WeakPolarHBondContact O-CB 3.37Å; L186-C190 PolarHBondContact O-N 3.25Å; L186-C190 PolarHBondContact O-SG 3.35Å; K187-C190 PolarHBondContact O-N 2.93Å; C190-S193 PolarHBondContact O-N 3.47Å; C190-A194 WeakPolarHBondContact O-CB 3.36Å; C190-A194 PolarHBondContact O-N 2.82Å |
| 191 | A | 97.5 | Very high | 97.2 | Very high | 61 Ų | 61 | 99.4 Ų | 99.4 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -52.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K187 S193 A194 E195 | K187-A191 WeakPolarHBondContact O-CB 3.29Å; K187-A191 PolarHBondContact O-N 2.95Å; A191-S193 VanDerWaalsContact C-N 3.26Å; A191-S193 PolarHBondContact O-N 3.2Å; A191-A194 PolarHBondContact O-N 3.38Å; A191-E195 WeakPolarHBondContact O-CB 2.99Å; A191-E195 PolarHBondContact O-N 2.92Å |
| 192 | R | 97.3 | Very high | 97.1 | Very high | 150 Ų | 150 | 101 Ų | 101 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.3 | -36.9 | 174.9 | -70.5 | 177.9 | -63.6 | 163 | 2 | 112.3 | E188 T189 K196 | E188-R192 WeakPolarHBondContact O-CB 3.5Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.43Å; E188-R192 PolarHBondContact O-N 2.84Å; E188-R192 VanDerWaalsContact O-N 3.09Å; E188-R192 PolarHBondContact O-NE 3.42Å; E188-R192 VanDerWaalsContact O-NE 3.1Å; T189-R192 PolarHBondContact OG1-NH2 3.42Å; R192-K196 WeakPolarHBondContact O-CB 3.5Å; R192-K196 PolarHBondContact O-N 3.31Å |
| 193 | S | 96.6 | Very high | 97.1 | Very high | 68 Ų | 68 | 100 Ų | 100 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.1 | -49.5 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 111.5 | T189 C190 A191 E195 K196 T197 | T189-S193 WeakPolarHBondContact O-CB 3.27Å; T189-S193 PolarHBondContact O-N 3.13Å; C190-S193 PolarHBondContact O-N 3.47Å; A191-S193 VanDerWaalsContact C-N 3.26Å; A191-S193 PolarHBondContact O-N 3.2Å; S193-E195 PolarHBondContact O-N 3.09Å; S193-K196 PolarHBondContact O-N 3.27Å; S193-T197 PolarHBondContact O-N 3.32Å; S193-T197 PolarHBondContact O-OG1 3.33Å; S193-T197 VanDerWaalsContact O-OG1 3.14Å |
| 194 | A | 96.7 | Very high | 97 | Very high | 62 Ų | 62 | 102.4 Ų | 102.4 | 51% | 0.512 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C190 A191 K198 | C190-A194 WeakPolarHBondContact O-CB 3.36Å; C190-A194 PolarHBondContact O-N 2.82Å; A191-A194 PolarHBondContact O-N 3.38Å; A194-K198 WeakPolarHBondContact O-CB 3.27Å; A194-K198 PolarHBondContact O-N 2.9Å |
| 195 | E | 96.9 | Very high | 96.8 | Very high | 141 Ų | 141 | 104.1 Ų | 104.1 | 66% | 0.659 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.6 | -47.7 | 172.3 | -179.3 | 175 | -149.2 | 0 | 0 | 111.4 | A191 S193 T197 K198 K199 | A191-E195 WeakPolarHBondContact O-CB 2.99Å; A191-E195 PolarHBondContact O-N 2.92Å; S193-E195 PolarHBondContact O-N 3.09Å; E195-T197 PolarHBondContact O-N 3.1Å; E195-K198 PolarHBondContact O-N 2.62Å; E195-K199 PolarHBondContact O-N 2.95Å |
| 196 | K | 97.8 | Very high | 96.7 | Very high | 121 Ų | 121 | 105.6 Ų | 105.6 | 53% | 0.526 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.1 | -173.7 | 173.7 | -177.4 | 179.4 | 0 | 112.2 | R192 S193 K199 Y200 | R192-K196 WeakPolarHBondContact O-CB 3.5Å; R192-K196 PolarHBondContact O-N 3.31Å; S193-K196 PolarHBondContact O-N 3.27Å; K196-K199 PolarHBondContact O-N 3.41Å; K196-Y200 HydrophobicContact CD-CE2 4.15Å; K196-Y200 WeakPolarHBondContact CE-OH 3.32Å; K196-Y200 HydrophobicContact CG-CD2 4.15Å; K196-Y200 HydrophobicContact CG-CE2 3.62Å; K196-Y200 WeakPolarHBondContact O-CD2 3.3Å; K196-Y200 PolarHBondContact O-N 2.85Å |
| 197 | T | 96.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 104.7 Ų | 104.7 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.5 | -52.7 | 171.4 | -63.2 | 0 | 0 | 0 | 0 | 110.6 | S193 E195 K199 Y200 E201 | S193-T197 PolarHBondContact O-N 3.32Å; S193-T197 PolarHBondContact O-OG1 3.33Å; S193-T197 VanDerWaalsContact O-OG1 3.14Å; E195-T197 PolarHBondContact O-N 3.1Å; T197-K199 VanDerWaalsContact C-N 3.26Å; T197-K199 PolarHBondContact O-N 3.3Å; T197-Y200 PolarHBondContact O-N 2.93Å; T197-Y200 VanDerWaalsContact O-N 3.08Å; T197-E201 HydrophobicContact CG2-CG 4.22Å; T197-E201 WeakPolarHBondContact O-CG 3.32Å; T197-E201 PolarHBondContact O-N 3.03Å |
| 198 | K | 97.4 | Very high | 96.4 | Very high | 160 Ų | 160 | 103.6 Ų | 103.6 | 70% | 0.696 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.9 | -39.8 | 179.5 | -175.2 | -172.5 | 175 | -167.7 | 0 | 112.1 | A194 E195 E201 Y202 | A194-K198 WeakPolarHBondContact O-CB 3.27Å; A194-K198 PolarHBondContact O-N 2.9Å; E195-K198 PolarHBondContact O-N 2.62Å; K198-E201 PolarHBondContact O-N 2.61Å; K198-Y202 PolarHBondContact O-N 2.94Å |
| 199 | K | 97.6 | Very high | 96.2 | Very high | 124 Ų | 124 | 103 Ų | 103 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 173.8 | 175.9 | 170.6 | 172 | 171.1 | 0 | 111.4 | E195 K196 T197 E201 Y202 E203 | E195-K199 PolarHBondContact O-N 2.95Å; K196-K199 PolarHBondContact O-N 3.41Å; T197-K199 VanDerWaalsContact C-N 3.26Å; T197-K199 PolarHBondContact O-N 3.3Å; K199-E201 VanDerWaalsContact C-N 3.28Å; K199-E201 PolarHBondContact O-N 3.1Å; K199-Y202 WeakPolarHBondContact O-CB 3.48Å; K199-Y202 PolarHBondContact O-N 2.82Å; K199-Y202 VanDerWaalsContact O-N 3.11Å; K199-E203 WeakPolarHBondContact CE-OE1 3.45Å; K199-E203 HydrophobicContact CG-CG 4.35Å; K199-E203 IonicContact NZ-OE1 2.61Å; K199-E203 PolarHBondContact NZ-OE1 2.88Å; K199-E203 WeakPolarHBondContact O-CG 3.46Å; K199-E203 PolarHBondContact O-N 3.3Å |
| 200 | Y | 96.4 | Very high | 96.2 | Very high | 128 Ų | 128 | 104.3 Ų | 104.3 | 50% | 0.502 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -32 | 177.1 | -66.1 | -36 | 0 | 0 | 0 | 113.4 | K196 T197 E203 R204 | K196-Y200 HydrophobicContact CD-CE2 4.15Å; K196-Y200 WeakPolarHBondContact CE-OH 3.32Å; K196-Y200 HydrophobicContact CG-CD2 4.15Å; K196-Y200 HydrophobicContact CG-CE2 3.62Å; K196-Y200 WeakPolarHBondContact O-CD2 3.3Å; K196-Y200 PolarHBondContact O-N 2.85Å; T197-Y200 PolarHBondContact O-N 2.93Å; T197-Y200 VanDerWaalsContact O-N 3.08Å; Y200-E203 WeakPolarHBondContact CD1-OE2 3.4Å; Y200-R204 WeakPolarHBondContact O-CB 3.43Å; Y200-R204 PolarHBondContact O-N 3.05Å; Y200-R204 VanDerWaalsContact O-N 3.1Å |
| 201 | E | 95.9 | Very high | 96.1 | Very high | 95 Ų | 95 | 108.1 Ų | 108.1 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 174.1 | -63.3 | -147 | 107.1 | 0 | 0 | 112.3 | T197 K198 K199 R204 E205 | T197-E201 HydrophobicContact CG2-CG 4.22Å; T197-E201 WeakPolarHBondContact O-CG 3.32Å; T197-E201 PolarHBondContact O-N 3.03Å; K198-E201 PolarHBondContact O-N 2.61Å; K199-E201 VanDerWaalsContact C-N 3.28Å; K199-E201 PolarHBondContact O-N 3.1Å; E201-R204 IonicContact OE1-CZ 3.71Å; E201-R204 IonicContact OE1-NH1 2.92Å; E201-R204 PolarHBondContact OE1-NH1 2.8Å; E201-R204 IonicContact OE1-NH2 3.63Å; E201-R204 PolarHBondContact OE1-NH2 2.82Å; E201-E205 PolarHBondContact O-N 2.92Å |
| 202 | Y | 96.6 | Very high | 96 | Very high | 155 Ų | 155 | 110.5 Ų | 110.5 | 61% | 0.608 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.2 | -52.7 | 174.1 | -174.8 | -82.9 | 0 | 0 | 0 | 111.8 | K198 K199 R204 E205 E206 | K198-Y202 PolarHBondContact O-N 2.94Å; K199-Y202 WeakPolarHBondContact O-CB 3.48Å; K199-Y202 PolarHBondContact O-N 2.82Å; K199-Y202 VanDerWaalsContact O-N 3.11Å; Y202-R204 PolarHBondContact O-N 3.2Å; Y202-E205 PolarHBondContact O-N 3.16Å; Y202-E206 HydrophobicContact CE1-CB 4.41Å; Y202-E206 WeakPolarHBondContact O-CB 3.46Å; Y202-E206 PolarHBondContact O-N 2.87Å |
| 203 | E | 96.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 107 Ų | 107 | 34% | 0.341 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.1 | -37.5 | 178.8 | -69.9 | 172.9 | 147.6 | 0 | 0 | 111.6 | K199 Y200 T207 | K199-E203 WeakPolarHBondContact CE-OE1 3.45Å; K199-E203 HydrophobicContact CG-CG 4.35Å; K199-E203 IonicContact NZ-OE1 2.61Å; K199-E203 PolarHBondContact NZ-OE1 2.88Å; K199-E203 WeakPolarHBondContact O-CG 3.46Å; K199-E203 PolarHBondContact O-N 3.3Å; Y200-E203 WeakPolarHBondContact CD1-OE2 3.4Å; E203-T207 WeakPolarHBondContact O-CB 3.43Å; E203-T207 PolarHBondContact O-N 3.21Å; E203-T207 PolarHBondContact O-OG1 3.4Å |
| 204 | R | 94.7 | Very high | 95.9 | Very high | 107 Ų | 107 | 108 Ų | 108 | 40% | 0.404 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.8 | -34.3 | 174.1 | -178.3 | -172 | 67.6 | -161.4 | -5.2 | 113 | Y200 E201 Y202 R208 | Y200-R204 WeakPolarHBondContact O-CB 3.43Å; Y200-R204 PolarHBondContact O-N 3.05Å; Y200-R204 VanDerWaalsContact O-N 3.1Å; E201-R204 IonicContact OE1-CZ 3.71Å; E201-R204 IonicContact OE1-NH1 2.92Å; E201-R204 PolarHBondContact OE1-NH1 2.8Å; E201-R204 IonicContact OE1-NH2 3.63Å; E201-R204 PolarHBondContact OE1-NH2 2.82Å; Y202-R204 PolarHBondContact O-N 3.2Å; R204-R208 WeakPolarHBondContact O-CG 3.49Å; R204-R208 PolarHBondContact O-N 3.3Å |
| 205 | E | 95 | Very high | 95.9 | Very high | 103 Ų | 103 | 108.8 Ų | 108.8 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.1 | -37.3 | 178.9 | -152.8 | 64.9 | -160.2 | 0 | 0 | 111.9 | E201 Y202 T207 R208 Q209 | E201-E205 PolarHBondContact O-N 2.92Å; Y202-E205 PolarHBondContact O-N 3.16Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.3Å; E205-R208 WeakPolarHBondContact O-CB 3.31Å; E205-R208 PolarHBondContact O-N 2.78Å; E205-R208 VanDerWaalsContact O-N 3.12Å; E205-R208 WeakPolarHBondContact OE2-CD 3.39Å; E205-R208 IonicContact OE2-CZ 3.62Å; E205-R208 IonicContact OE2-NE 2.69Å; E205-R208 IonicContact OE2-NH1 2.71Å; E205-R208 PolarHBondContact OE2-NH1 3.22Å; E205-Q209 PolarHBondContact O-N 2.87Å |
| 206 | E | 95.4 | Very high | 95.9 | Very high | 105 Ų | 105 | 105.2 Ų | 105.2 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.2 | -45.4 | 168.7 | -178.7 | 167.5 | -140.1 | 0 | 0 | 110.8 | Y202 R208 Q209 V210 | Y202-E206 HydrophobicContact CE1-CB 4.41Å; Y202-E206 WeakPolarHBondContact O-CB 3.46Å; Y202-E206 PolarHBondContact O-N 2.87Å; E206-R208 VanDerWaalsContact C-N 3.32Å; E206-R208 PolarHBondContact O-N 2.87Å; E206-Q209 PolarHBondContact O-N 3.48Å; E206-V210 WeakPolarHBondContact O-CG2 3.25Å; E206-V210 PolarHBondContact O-N 3.16Å |
| 207 | T | 93.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 104.3 Ų | 104.3 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 172.4 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | E203 E205 V210 Y211 | E203-T207 WeakPolarHBondContact O-CB 3.43Å; E203-T207 PolarHBondContact O-N 3.21Å; E203-T207 PolarHBondContact O-OG1 3.4Å; E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.3Å; T207-V210 PolarHBondContact O-N 3.39Å; T207-Y211 HydrophobicContact CG2-CD2 3.92Å; T207-Y211 HydrophobicContact CG2-CE2 3.73Å; T207-Y211 WeakPolarHBondContact O-CD2 3.43Å; T207-Y211 PolarHBondContact O-N 3.07Å |
| 208 | R | 94.8 | Very high | 95.9 | Very high | 114 Ų | 114 | 104.3 Ų | 104.3 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -40.7 | 175.3 | -76.1 | 167.4 | -179.6 | 152.9 | 0.3 | 112.4 | R204 E205 E206 Y211 M212 | R204-R208 WeakPolarHBondContact O-CG 3.49Å; R204-R208 PolarHBondContact O-N 3.3Å; E205-R208 WeakPolarHBondContact O-CB 3.31Å; E205-R208 PolarHBondContact O-N 2.78Å; E205-R208 VanDerWaalsContact O-N 3.12Å; E205-R208 WeakPolarHBondContact OE2-CD 3.39Å; E205-R208 IonicContact OE2-CZ 3.62Å; E205-R208 IonicContact OE2-NE 2.69Å; E205-R208 IonicContact OE2-NH1 2.71Å; E205-R208 PolarHBondContact OE2-NH1 3.22Å; E206-R208 VanDerWaalsContact C-N 3.32Å; E206-R208 PolarHBondContact O-N 2.87Å; R208-Y211 PolarHBondContact O-N 3.49Å; R208-M212 WeakPolarHBondContact O-CG 3.36Å; R208-M212 PolarHBondContact O-N 2.86Å |
| 209 | Q | 94.9 | Very high | 95.8 | Very high | 95 Ų | 95 | 101.7 Ų | 101.7 | 44% | 0.444 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 177 | -175.3 | 57.7 | 49.5 | 0 | 0 | 110.5 | E205 E206 Y211 M212 D213 | E205-Q209 PolarHBondContact O-N 2.87Å; E206-Q209 PolarHBondContact O-N 3.48Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Q209-Y211 PolarHBondContact O-N 3.32Å; Q209-M212 PolarHBondContact O-N 2.91Å; Q209-M212 VanDerWaalsContact O-N 3.11Å; Q209-D213 PolarHBondContact NE2-OD1 2.99Å; Q209-D213 PolarHBondContact NE2-OD2 2.93Å; Q209-D213 PolarHBondContact O-N 2.66Å |
| 210 | V | 95.9 | Very high | 95.8 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 59% | 0.588 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | E206 T207 D213 L214 | E206-V210 WeakPolarHBondContact O-CG2 3.25Å; E206-V210 PolarHBondContact O-N 3.16Å; T207-V210 PolarHBondContact O-N 3.39Å; V210-D213 PolarHBondContact O-N 3.31Å; V210-L214 VanDerWaalsContact O-CB 3.29Å; V210-L214 WeakPolarHBondContact O-CB 3.37Å; V210-L214 PolarHBondContact O-N 3.15Å |
| 211 | Y | 94.1 | Very high | 95.8 | Very high | 164 Ų | 164 | 101.3 Ų | 101.3 | 64% | 0.643 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 173.2 | -84.1 | -64.4 | 0 | 0 | 0 | 113.2 | T207 R208 Q209 N215 | T207-Y211 HydrophobicContact CG2-CD2 3.92Å; T207-Y211 HydrophobicContact CG2-CE2 3.73Å; T207-Y211 WeakPolarHBondContact O-CD2 3.43Å; T207-Y211 PolarHBondContact O-N 3.07Å; R208-Y211 PolarHBondContact O-N 3.49Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Q209-Y211 PolarHBondContact O-N 3.32Å; Y211-N215 WeakPolarHBondContact O-CB 3.33Å; Y211-N215 PolarHBondContact O-N 3.14Å |
| 212 | M | 95.5 | Very high | 95.8 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 55% | 0.547 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.2 | -41.4 | 175.4 | -74.7 | 179.6 | 59 | 0 | 0 | 111.6 | R208 Q209 N215 N216 | R208-M212 WeakPolarHBondContact O-CG 3.36Å; R208-M212 PolarHBondContact O-N 2.86Å; Q209-M212 PolarHBondContact O-N 2.91Å; Q209-M212 VanDerWaalsContact O-N 3.11Å; M212-N215 PolarHBondContact O-N 3.37Å; M212-N216 WeakPolarHBondContact O-CB 3.46Å; M212-N216 PolarHBondContact O-N 2.91Å; M212-N216 PolarHBondContact O-ND2 3.47Å; M212-N216 VanDerWaalsContact O-ND2 3.13Å |
| 213 | D | 96.2 | Very high | 95.8 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72 | -34 | 178.2 | -69.2 | -35 | 0 | 0 | 0 | 112.5 | Q209 V210 N216 N217 | Q209-D213 PolarHBondContact NE2-OD1 2.99Å; Q209-D213 PolarHBondContact NE2-OD2 2.93Å; Q209-D213 PolarHBondContact O-N 2.66Å; V210-D213 PolarHBondContact O-N 3.31Å; D213-N216 PolarHBondContact O-N 3.27Å; D213-N216 PolarHBondContact OD1-ND2 2.85Å; D213-N217 WeakPolarHBondContact O-CB 3.49Å; D213-N217 PolarHBondContact O-N 3.29Å |
| 214 | L | 96.1 | Very high | 95.8 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 47% | 0.466 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -45.6 | 167.8 | 178.5 | 59.7 | 0 | 0 | 0 | 111.3 | V210 N217 I218 | V210-L214 VanDerWaalsContact O-CB 3.29Å; V210-L214 WeakPolarHBondContact O-CB 3.37Å; V210-L214 PolarHBondContact O-N 3.15Å; L214-N217 WeakPolarHBondContact O-CB 3.44Å; L214-N217 PolarHBondContact O-N 2.95Å; L214-I218 HydrophobicContact CD1-CD1 4.14Å; L214-I218 HydrophobicContact CD1-CG1 4.42Å; L214-I218 HydrophobicContact CG-CD1 3.99Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.01Å |
| 215 | N | 96.3 | Very high | 95.9 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 175.5 | -174.7 | 91.1 | 0 | 0 | 0 | 111.6 | Y211 M212 N217 I218 E219 | Y211-N215 WeakPolarHBondContact O-CB 3.33Å; Y211-N215 PolarHBondContact O-N 3.14Å; M212-N215 PolarHBondContact O-N 3.37Å; N215-N217 PolarHBondContact O-N 3.43Å; N215-I218 PolarHBondContact O-N 3.38Å; N215-I218 VanDerWaalsContact O-N 3.17Å; N215-E219 PolarHBondContact ND2-OE1 3.33Å; N215-E219 WeakPolarHBondContact O-CG 3.28Å; N215-E219 PolarHBondContact O-N 3.27Å |
| 216 | N | 97.6 | Very high | 96 | Very high | 66 Ų | 66 | 96.4 Ų | 96.4 | 35% | 0.353 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -33.6 | 174.1 | -68.9 | -30.7 | 0 | 0 | 0 | 112.2 | M212 D213 K220 | M212-N216 WeakPolarHBondContact O-CB 3.46Å; M212-N216 PolarHBondContact O-N 2.91Å; M212-N216 PolarHBondContact O-ND2 3.47Å; M212-N216 VanDerWaalsContact O-ND2 3.13Å; D213-N216 PolarHBondContact O-N 3.27Å; D213-N216 PolarHBondContact OD1-ND2 2.85Å; N216-K220 WeakPolarHBondContact O-CD 3.36Å; N216-K220 VanDerWaalsContact O-CG 3.25Å; N216-K220 WeakPolarHBondContact O-CG 3.43Å; N216-K220 PolarHBondContact O-N 2.98Å |
| 217 | N | 97.6 | Very high | 96 | Very high | 101 Ų | 101 | 97.6 Ų | 97.6 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.5 | -42.4 | 175.2 | -163.9 | 19.3 | 0 | 0 | 0 | 111.5 | D213 L214 N215 E219 K220 M221 | D213-N217 WeakPolarHBondContact O-CB 3.49Å; D213-N217 PolarHBondContact O-N 3.29Å; L214-N217 WeakPolarHBondContact O-CB 3.44Å; L214-N217 PolarHBondContact O-N 2.95Å; N215-N217 PolarHBondContact O-N 3.43Å; N217-E219 PolarHBondContact O-N 3.01Å; N217-K220 PolarHBondContact O-N 2.79Å; N217-M221 WeakPolarHBondContact O-CB 3.31Å; N217-M221 PolarHBondContact O-N 2.64Å |
| 218 | I | 96.4 | Very high | 96.2 | Very high | 71 Ų | 71 | 98.8 Ų | 98.8 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 174.1 | -69.4 | 164.9 | 0 | 0 | 0 | 110.8 | L214 N215 K220 M221 I222 | L214-I218 HydrophobicContact CD1-CD1 4.14Å; L214-I218 HydrophobicContact CD1-CG1 4.42Å; L214-I218 HydrophobicContact CG-CD1 3.99Å; L214-I218 WeakPolarHBondContact O-CG1 3.4Å; L214-I218 PolarHBondContact O-N 3.01Å; N215-I218 PolarHBondContact O-N 3.38Å; N215-I218 VanDerWaalsContact O-N 3.17Å; I218-K220 PolarHBondContact O-N 3.34Å; I218-M221 PolarHBondContact O-N 3.15Å; I218-I222 HydrophobicContact CG2-CD1 3.71Å; I218-I222 HydrophobicContact CG2-CG1 4.34Å; I218-I222 WeakPolarHBondContact O-CB 3.45Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.37Å; I218-I222 PolarHBondContact O-N 2.88Å |
| 219 | E | 95.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 101 Ų | 101 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 176.2 | -74.9 | 179.2 | -167 | 0 | 0 | 112.5 | N215 N217 T223 | N215-E219 PolarHBondContact ND2-OE1 3.33Å; N215-E219 WeakPolarHBondContact O-CG 3.28Å; N215-E219 PolarHBondContact O-N 3.27Å; N217-E219 PolarHBondContact O-N 3.01Å; E219-T223 WeakPolarHBondContact O-CB 3.28Å; E219-T223 PolarHBondContact O-N 3.46Å; E219-T223 PolarHBondContact O-OG1 3.33Å |
| 220 | K | 96.7 | Very high | 96.4 | Very high | 145 Ų | 145 | 99.7 Ų | 99.7 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 171.8 | -73.1 | 166.8 | -174 | 173.8 | 0 | 111.9 | N216 N217 I218 T223 A224 | N216-K220 WeakPolarHBondContact O-CD 3.36Å; N216-K220 VanDerWaalsContact O-CG 3.25Å; N216-K220 WeakPolarHBondContact O-CG 3.43Å; N216-K220 PolarHBondContact O-N 2.98Å; N217-K220 PolarHBondContact O-N 2.79Å; I218-K220 PolarHBondContact O-N 3.34Å; K220-T223 WeakPolarHBondContact O-CB 2.94Å; K220-T223 PolarHBondContact O-N 3.35Å; K220-A224 PolarHBondContact O-N 3.18Å |
| 221 | M | 96.2 | Very high | 96.3 | Very high | 99 Ų | 99 | 100.9 Ų | 100.9 | 49% | 0.488 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 179 | -174.7 | 176.1 | 69.2 | 0 | 0 | 111.7 | N217 I218 T223 A224 F225 | N217-M221 WeakPolarHBondContact O-CB 3.31Å; N217-M221 PolarHBondContact O-N 2.64Å; I218-M221 PolarHBondContact O-N 3.15Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.93Å; M221-A224 PolarHBondContact O-N 2.78Å; M221-F225 HydrophobicContact CG-CD2 3.79Å; M221-F225 HydrophobicContact CG-CE2 3.56Å; M221-F225 WeakPolarHBondContact O-CD2 3.33Å; M221-F225 PolarHBondContact O-N 3.44Å; M221-F225 HydrophobicContact SD-CE2 4.07Å |
| 222 | I | 95.6 | Very high | 96.3 | Very high | 102 Ų | 102 | 96 Ų | 96 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 171.9 | -71 | 166 | 0 | 0 | 0 | 110.4 | I218 F225 E226 | I218-I222 HydrophobicContact CG2-CD1 3.71Å; I218-I222 HydrophobicContact CG2-CG1 4.34Å; I218-I222 WeakPolarHBondContact O-CB 3.45Å; I218-I222 VanDerWaalsContact O-CG1 3.26Å; I218-I222 WeakPolarHBondContact O-CG1 3.37Å; I218-I222 PolarHBondContact O-N 2.88Å; I222-F225 PolarHBondContact O-N 3.17Å; I222-E226 WeakPolarHBondContact O-CB 3.44Å; I222-E226 PolarHBondContact O-N 3.42Å |
| 223 | T | 96.7 | Very high | 96.2 | Very high | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | E219 K220 M221 F225 E226 E227 | E219-T223 WeakPolarHBondContact O-CB 3.28Å; E219-T223 PolarHBondContact O-N 3.46Å; E219-T223 PolarHBondContact O-OG1 3.33Å; K220-T223 WeakPolarHBondContact O-CB 2.94Å; K220-T223 PolarHBondContact O-N 3.35Å; M221-T223 VanDerWaalsContact C-N 3.32Å; M221-T223 PolarHBondContact O-N 2.93Å; T223-F225 PolarHBondContact O-N 2.89Å; T223-E226 PolarHBondContact O-N 3.02Å; T223-E227 WeakPolarHBondContact O-CG 3.25Å; T223-E227 PolarHBondContact O-N 2.95Å |
| 224 | A | 96.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 95.3 Ų | 95.3 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | K220 M221 E227 L228 | K220-A224 PolarHBondContact O-N 3.18Å; M221-A224 PolarHBondContact O-N 2.78Å; A224-E227 PolarHBondContact O-N 3.4Å; A224-L228 WeakPolarHBondContact O-CB 3.3Å; A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.3Å; A224-L228 PolarHBondContact O-N 2.83Å |
| 225 | F | 97.4 | Very high | 96.2 | Very high | 133 Ų | 133 | 94.2 Ų | 94.2 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -36 | 173 | -81.1 | -57.5 | 0 | 0 | 0 | 112.5 | M221 I222 T223 R229 | M221-F225 HydrophobicContact CG-CD2 3.79Å; M221-F225 HydrophobicContact CG-CE2 3.56Å; M221-F225 WeakPolarHBondContact O-CD2 3.33Å; M221-F225 PolarHBondContact O-N 3.44Å; M221-F225 HydrophobicContact SD-CE2 4.07Å; I222-F225 PolarHBondContact O-N 3.17Å; T223-F225 PolarHBondContact O-N 2.89Å; F225-R229 VanDerWaalsContact O-CB 3.3Å; F225-R229 WeakPolarHBondContact O-CB 3.32Å; F225-R229 PolarHBondContact O-N 3.04Å |
| 226 | E | 96.3 | Very high | 96.2 | Very high | 77 Ų | 77 | 96.3 Ų | 96.3 | 36% | 0.36 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 174 | -173.9 | 60.8 | -121.5 | 0 | 0 | 111.6 | I222 T223 L228 R229 V230 | I222-E226 WeakPolarHBondContact O-CB 3.44Å; I222-E226 PolarHBondContact O-N 3.42Å; T223-E226 PolarHBondContact O-N 3.02Å; E226-L228 PolarHBondContact O-N 3.28Å; E226-R229 WeakPolarHBondContact O-CB 3.41Å; E226-R229 PolarHBondContact O-N 3.19Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 IonicContact OE1-NE 3.75Å; E226-R229 PolarHBondContact OE1-NE 3.23Å; E226-R229 IonicContact OE1-NH2 3.83Å; E226-R229 PolarHBondContact OE1-NH2 3.35Å; E226-R229 IonicContact OE2-CZ 3.18Å; E226-R229 IonicContact OE2-NE 3.97Å; E226-R229 PolarHBondContact OE2-NE 2.91Å; E226-R229 IonicContact OE2-NH2 2.77Å; E226-R229 PolarHBondContact OE2-NH2 3.01Å; E226-V230 WeakPolarHBondContact O-CB 3.1Å; E226-V230 WeakPolarHBondContact O-CG2 3.45Å; E226-V230 PolarHBondContact O-N 2.9Å |
| 227 | E | 96.6 | Very high | 96.1 | Very high | 130 Ų | 130 | 97.1 Ų | 97.1 | 61% | 0.607 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -59.7 | -45.3 | 173.7 | -74.4 | 175.4 | 179.3 | 0 | 0 | 111.6 | T223 A224 V230 Q231 | T223-E227 WeakPolarHBondContact O-CG 3.25Å; T223-E227 PolarHBondContact O-N 2.95Å; A224-E227 PolarHBondContact O-N 3.4Å; E227-V230 PolarHBondContact O-N 2.9Å; E227-Q231 WeakPolarHBondContact O-CB 3.48Å; E227-Q231 PolarHBondContact O-N 3.46Å |
| 228 | L | 97.4 | Very high | 96 | Very high | 101 Ų | 101 | 97.5 Ų | 97.5 | 53% | 0.529 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174.2 | -74.1 | 170.3 | 0 | 0 | 0 | 112.3 | A224 E226 Q231 A232 | A224-L228 WeakPolarHBondContact O-CB 3.3Å; A224-L228 VanDerWaalsContact O-CG 3.3Å; A224-L228 WeakPolarHBondContact O-CG 3.3Å; A224-L228 PolarHBondContact O-N 2.83Å; E226-L228 PolarHBondContact O-N 3.28Å; L228-Q231 PolarHBondContact O-N 3.29Å; L228-A232 WeakPolarHBondContact O-CB 3.11Å; L228-A232 PolarHBondContact O-N 3.34Å |
| 229 | R | 97 | Very high | 95.9 | Very high | 160 Ų | 160 | 99.8 Ų | 99.8 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175.6 | -174.4 | 178.5 | 77.9 | 158.5 | 4.1 | 111.3 | F225 E226 Q231 A232 E233 | F225-R229 VanDerWaalsContact O-CB 3.3Å; F225-R229 WeakPolarHBondContact O-CB 3.32Å; F225-R229 PolarHBondContact O-N 3.04Å; E226-R229 WeakPolarHBondContact O-CB 3.41Å; E226-R229 PolarHBondContact O-N 3.19Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 IonicContact OE1-NE 3.75Å; E226-R229 PolarHBondContact OE1-NE 3.23Å; E226-R229 IonicContact OE1-NH2 3.83Å; E226-R229 PolarHBondContact OE1-NH2 3.35Å; E226-R229 IonicContact OE2-CZ 3.18Å; E226-R229 IonicContact OE2-NE 3.97Å; E226-R229 PolarHBondContact OE2-NE 2.91Å; E226-R229 IonicContact OE2-NH2 2.77Å; E226-R229 PolarHBondContact OE2-NH2 3.01Å; R229-Q231 VanDerWaalsContact C-N 3.35Å; R229-A232 PolarHBondContact O-N 3.05Å; R229-E233 WeakPolarHBondContact O-CB 3.47Å; R229-E233 PolarHBondContact O-N 3.02Å |
| 230 | V | 95.6 | Very high | 95.7 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 42% | 0.418 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 111 | E226 E227 N234 | E226-V230 WeakPolarHBondContact O-CB 3.1Å; E226-V230 WeakPolarHBondContact O-CG2 3.45Å; E226-V230 PolarHBondContact O-N 2.9Å; E227-V230 PolarHBondContact O-N 2.9Å; V230-N234 WeakPolarHBondContact CG1-ND2 3.39Å; V230-N234 VanDerWaalsContact O-CB 3.26Å; V230-N234 WeakPolarHBondContact O-CB 3.41Å; V230-N234 PolarHBondContact O-N 3.05Å; V230-N234 PolarHBondContact O-ND2 2.73Å; V230-N234 VanDerWaalsContact O-ND2 3.09Å |
| 231 | Q | 95.3 | Very high | 95.5 | Very high | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -43.1 | 175.4 | -174.6 | 178.3 | -1.7 | 0 | 0 | 112.3 | E227 L228 R229 N234 S235 | E227-Q231 WeakPolarHBondContact O-CB 3.48Å; E227-Q231 PolarHBondContact O-N 3.46Å; L228-Q231 PolarHBondContact O-N 3.29Å; R229-Q231 VanDerWaalsContact C-N 3.35Å; Q231-N234 PolarHBondContact O-N 3.24Å; Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 2.83Å; Q231-S235 PolarHBondContact O-OG 3Å |
| 232 | A | 92.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 98.6 Ų | 98.6 | 51% | 0.512 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L228 R229 S235 R236 | L228-A232 WeakPolarHBondContact O-CB 3.11Å; L228-A232 PolarHBondContact O-N 3.34Å; R229-A232 PolarHBondContact O-N 3.05Å; A232-S235 WeakPolarHBondContact O-CB 2.75Å; A232-S235 PolarHBondContact O-N 3.46Å; A232-R236 PolarHBondContact O-N 2.95Å |
| 233 | E | 94.8 | Very high | 95.4 | Very high | 77 Ų | 77 | 99 Ų | 99 | 36% | 0.36 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 176.7 | 179.1 | 60 | -171.9 | 0 | 0 | 112 | R229 S235 R236 L237 | R229-E233 WeakPolarHBondContact O-CB 3.47Å; R229-E233 PolarHBondContact O-N 3.02Å; E233-S235 VanDerWaalsContact C-N 3.3Å; E233-S235 PolarHBondContact O-N 2.81Å; E233-R236 WeakPolarHBondContact O-CB 3.13Å; E233-R236 PolarHBondContact O-N 3.45Å; E233-R236 IonicContact OE1-CZ 2.81Å; E233-R236 IonicContact OE1-NE 2.77Å; E233-R236 IonicContact OE1-NH2 3.13Å; E233-R236 PolarHBondContact OE1-NH2 3.4Å; E233-R236 IonicContact OE2-CZ 2.68Å; E233-R236 IonicContact OE2-NE 3.84Å; E233-R236 PolarHBondContact OE2-NE 2.78Å; E233-R236 IonicContact OE2-NH2 3.63Å; E233-R236 PolarHBondContact OE2-NH2 2.82Å; E233-L237 HydrophobicContact CG-CD1 4.17Å; E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 2.99Å |
| 234 | N | 96.3 | Very high | 95.3 | Very high | 96 Ų | 96 | 100.2 Ų | 100.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -40.8 | 172.4 | -75.7 | -30.1 | 0 | 0 | 0 | 111.8 | V230 Q231 L237 E238 | V230-N234 WeakPolarHBondContact CG1-ND2 3.39Å; V230-N234 VanDerWaalsContact O-CB 3.26Å; V230-N234 WeakPolarHBondContact O-CB 3.41Å; V230-N234 PolarHBondContact O-N 3.05Å; V230-N234 PolarHBondContact O-ND2 2.73Å; V230-N234 VanDerWaalsContact O-ND2 3.09Å; Q231-N234 PolarHBondContact O-N 3.24Å; N234-L237 PolarHBondContact O-N 2.79Å; N234-E238 PolarHBondContact O-N 3.49Å |
| 235 | S | 95.8 | Very high | 95.2 | Very high | 67 Ų | 67 | 102.1 Ų | 102.1 | 47% | 0.469 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | Q231 A232 E233 E238 M239 | Q231-S235 WeakPolarHBondContact O-CB 3.44Å; Q231-S235 PolarHBondContact O-N 2.83Å; Q231-S235 PolarHBondContact O-OG 3Å; A232-S235 WeakPolarHBondContact O-CB 2.75Å; A232-S235 PolarHBondContact O-N 3.46Å; E233-S235 VanDerWaalsContact C-N 3.3Å; E233-S235 PolarHBondContact O-N 2.81Å; S235-E238 PolarHBondContact O-N 2.97Å; S235-M239 PolarHBondContact O-N 2.89Å |
| 236 | R | 95.9 | Very high | 94.9 | Very high | 122 Ų | 122 | 99.3 Ų | 99.3 | 46% | 0.46 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 173.7 | -167.2 | -169.1 | 70.3 | 77.5 | 1.7 | 111.7 | A232 E233 M239 H240 | A232-R236 PolarHBondContact O-N 2.95Å; E233-R236 WeakPolarHBondContact O-CB 3.13Å; E233-R236 PolarHBondContact O-N 3.45Å; E233-R236 IonicContact OE1-CZ 2.81Å; E233-R236 IonicContact OE1-NE 2.77Å; E233-R236 IonicContact OE1-NH2 3.13Å; E233-R236 PolarHBondContact OE1-NH2 3.4Å; E233-R236 IonicContact OE2-CZ 2.68Å; E233-R236 IonicContact OE2-NE 3.84Å; E233-R236 PolarHBondContact OE2-NE 2.78Å; E233-R236 IonicContact OE2-NH2 3.63Å; E233-R236 PolarHBondContact OE2-NH2 2.82Å; R236-M239 PolarHBondContact O-N 3.46Å; R236-H240 WeakPolarHBondContact O-CB 3.48Å; R236-H240 PolarHBondContact O-N 3.34Å |
| 237 | L | 95.4 | Very high | 94.8 | Very high | 83 Ų | 83 | 102.1 Ų | 102.1 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.6 | -36.6 | 175.8 | -70.3 | 170.3 | 0 | 0 | 0 | 112.1 | E233 N234 H240 F241 | E233-L237 HydrophobicContact CG-CD1 4.17Å; E233-L237 WeakPolarHBondContact O-CB 3.49Å; E233-L237 VanDerWaalsContact O-CG 3.29Å; E233-L237 WeakPolarHBondContact O-CG 3.49Å; E233-L237 PolarHBondContact O-N 2.99Å; N234-L237 PolarHBondContact O-N 2.79Å; L237-H240 PolarHBondContact O-N 3.44Å; L237-F241 PolarHBondContact O-N 3.5Å |
| 238 | E | 95.2 | Very high | 94.7 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 173.4 | -165.5 | -171.6 | 146.8 | 0 | 0 | 111.6 | N234 S235 F241 K242 | N234-E238 PolarHBondContact O-N 3.49Å; S235-E238 PolarHBondContact O-N 2.97Å; E238-F241 PolarHBondContact O-N 3.31Å; E238-K242 WeakPolarHBondContact O-CG 3.12Å; E238-K242 PolarHBondContact O-N 3.44Å; E238-K242 WeakPolarHBondContact OE1-CE 3.34Å; E238-K242 IonicContact OE1-NZ 2.61Å; E238-K242 PolarHBondContact OE1-NZ 2.81Å |
| 239 | M | 93.5 | Very high | 94.5 | Very high | 119 Ų | 119 | 100.2 Ų | 100.2 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.8 | -47.1 | 171.6 | -173 | -156.7 | -64.8 | 0 | 0 | 111.1 | S235 R236 F241 K242 L243 | S235-M239 PolarHBondContact O-N 2.89Å; R236-M239 PolarHBondContact O-N 3.46Å; M239-F241 VanDerWaalsContact C-N 3.27Å; M239-F241 PolarHBondContact O-N 3.11Å; M239-K242 PolarHBondContact O-N 3.21Å; M239-L243 HydrophobicContact CG-CD1 3.99Å; M239-L243 HydrophobicContact CG-CG 4.41Å; M239-L243 WeakPolarHBondContact O-CB 3.36Å; M239-L243 WeakPolarHBondContact O-CG 3.4Å; M239-L243 PolarHBondContact O-N 3.19Å; M239-L243 HydrophobicContact SD-CD1 4.16Å |
| 240 | H | 91.6 | Very high | 94.4 | Very high | 111 Ų | 111 | 97 Ų | 97 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -34 | 177 | -171.3 | -52.1 | 0 | 0 | 0 | 112.1 | R236 L237 K244 | R236-H240 WeakPolarHBondContact O-CB 3.48Å; R236-H240 PolarHBondContact O-N 3.34Å; L237-H240 PolarHBondContact O-N 3.44Å; H240-K244 WeakPolarHBondContact O-CB 3.25Å; H240-K244 PolarHBondContact O-N 2.93Å |
| 241 | F | 94.3 | Very high | 94.3 | Very high | 107 Ų | 107 | 97.5 Ų | 97.5 | 47% | 0.469 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -47 | 173.8 | -171.7 | -83.9 | 0 | 0 | 0 | 111.2 | L237 E238 M239 K244 E245 | L237-F241 PolarHBondContact O-N 3.5Å; E238-F241 PolarHBondContact O-N 3.31Å; M239-F241 VanDerWaalsContact C-N 3.27Å; M239-F241 PolarHBondContact O-N 3.11Å; F241-K244 PolarHBondContact O-N 2.87Å; F241-E245 PolarHBondContact O-N 2.88Å |
| 242 | K | 95.6 | Very high | 94.2 | Very high | 105 Ų | 105 | 96.8 Ų | 96.8 | 46% | 0.457 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 177.6 | -69.7 | 169.7 | -174.6 | 167.4 | 0 | 112.1 | E238 M239 K244 E245 D246 | E238-K242 WeakPolarHBondContact O-CG 3.12Å; E238-K242 PolarHBondContact O-N 3.44Å; E238-K242 WeakPolarHBondContact OE1-CE 3.34Å; E238-K242 IonicContact OE1-NZ 2.61Å; E238-K242 PolarHBondContact OE1-NZ 2.81Å; M239-K242 PolarHBondContact O-N 3.21Å; K242-K244 VanDerWaalsContact C-N 3.25Å; K242-K244 PolarHBondContact O-N 3.3Å; K242-E245 WeakPolarHBondContact O-CB 3.43Å; K242-E245 PolarHBondContact O-N 2.87Å; K242-E245 VanDerWaalsContact O-N 3.08Å; K242-D246 PolarHBondContact O-N 3.33Å |
| 243 | L | 93.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 97.9 Ų | 97.9 | 58% | 0.581 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.7 | -36.4 | 175.8 | -72.2 | 171.1 | 0 | 0 | 0 | 112.4 | M239 Y247 | M239-L243 HydrophobicContact CG-CD1 3.99Å; M239-L243 HydrophobicContact CG-CG 4.41Å; M239-L243 WeakPolarHBondContact O-CB 3.36Å; M239-L243 WeakPolarHBondContact O-CG 3.4Å; M239-L243 PolarHBondContact O-N 3.19Å; M239-L243 HydrophobicContact SD-CD1 4.16Å; L243-Y247 WeakPolarHBondContact O-CB 3.3Å; L243-Y247 PolarHBondContact O-N 3.25Å |
| 244 | K | 94.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.3 | -43.8 | 173.3 | 177.3 | 170.6 | 171.6 | 171.8 | 0 | 112.1 | H240 F241 K242 D246 Y247 E248 | H240-K244 WeakPolarHBondContact O-CB 3.25Å; H240-K244 PolarHBondContact O-N 2.93Å; F241-K244 PolarHBondContact O-N 2.87Å; K242-K244 VanDerWaalsContact C-N 3.25Å; K242-K244 PolarHBondContact O-N 3.3Å; K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.14Å; K244-Y247 PolarHBondContact O-N 3.42Å; K244-E248 WeakPolarHBondContact CE-OE1 3.31Å; K244-E248 IonicContact NZ-OE1 2.62Å; K244-E248 PolarHBondContact NZ-OE1 3.45Å; K244-E248 WeakPolarHBondContact O-CG 3.45Å; K244-E248 PolarHBondContact O-N 3.47Å |
| 245 | E | 93.9 | Very high | 93.9 | Very high | 84 Ų | 84 | 101.1 Ų | 101.1 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 177 | -158.6 | -166.7 | 104.1 | 0 | 0 | 111.4 | F241 K242 E248 K249 | F241-E245 PolarHBondContact O-N 2.88Å; K242-E245 WeakPolarHBondContact O-CB 3.43Å; K242-E245 PolarHBondContact O-N 2.87Å; K242-E245 VanDerWaalsContact O-N 3.08Å; E245-E248 PolarHBondContact O-N 3.28Å; E245-K249 WeakPolarHBondContact O-CE 3.45Å; E245-K249 VanDerWaalsContact O-CG 3.32Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 2.92Å; E245-K249 VanDerWaalsContact O-N 3.09Å; E245-K249 VanDerWaalsContact OE1-CE 3.25Å; E245-K249 WeakPolarHBondContact OE1-CE 3.38Å; E245-K249 IonicContact OE1-NZ 3.97Å; E245-K249 PolarHBondContact OE1-NZ 3Å |
| 246 | D | 92.1 | Very high | 93.8 | Very high | 74 Ų | 74 | 102.8 Ų | 102.8 | 40% | 0.396 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 177.1 | -66.3 | -28.4 | 0 | 0 | 0 | 112.5 | K242 K244 K249 I250 | K242-D246 PolarHBondContact O-N 3.33Å; K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.14Å; D246-K249 PolarHBondContact O-N 2.7Å; D246-K249 IonicContact OD1-NZ 2.62Å; D246-K249 PolarHBondContact OD1-NZ 3.09Å; D246-I250 VanDerWaalsContact O-CG1 3.31Å; D246-I250 WeakPolarHBondContact O-CG1 3.32Å; D246-I250 PolarHBondContact O-N 2.83Å |
| 247 | Y | 92.4 | Very high | 93.7 | Very high | 136 Ų | 136 | 104 Ų | 104 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 168.9 | 177.9 | -96.2 | 0 | 0 | 0 | 112 | L243 K244 K249 I250 Q251 | L243-Y247 WeakPolarHBondContact O-CB 3.3Å; L243-Y247 PolarHBondContact O-N 3.25Å; K244-Y247 PolarHBondContact O-N 3.42Å; Y247-K249 VanDerWaalsContact C-N 3.33Å; Y247-K249 PolarHBondContact O-N 3.23Å; Y247-I250 PolarHBondContact O-N 3.48Å; Y247-Q251 WeakPolarHBondContact O-CB 3.22Å; Y247-Q251 PolarHBondContact O-N 2.77Å |
| 248 | E | 94.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 107.6 Ų | 107.6 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 175.9 | -73.1 | 174.8 | 176.2 | 0 | 0 | 111.8 | K244 E245 H252 | K244-E248 WeakPolarHBondContact CE-OE1 3.31Å; K244-E248 IonicContact NZ-OE1 2.62Å; K244-E248 PolarHBondContact NZ-OE1 3.45Å; K244-E248 WeakPolarHBondContact O-CG 3.45Å; K244-E248 PolarHBondContact O-N 3.47Å; E245-E248 PolarHBondContact O-N 3.28Å; E248-H252 PolarHBondContact O-N 2.97Å; E248-H252 VanDerWaalsContact O-N 3.09Å |
| 249 | K | 95 | Very high | 93.5 | Very high | 94 Ų | 94 | 109.1 Ų | 109.1 | 41% | 0.409 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.8 | -45.9 | 171.1 | -67.7 | 163.5 | -152.7 | 161.4 | 0 | 112.4 | E245 D246 Y247 Q251 H252 L253 | E245-K249 WeakPolarHBondContact O-CE 3.45Å; E245-K249 VanDerWaalsContact O-CG 3.32Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 2.92Å; E245-K249 VanDerWaalsContact O-N 3.09Å; E245-K249 VanDerWaalsContact OE1-CE 3.25Å; E245-K249 WeakPolarHBondContact OE1-CE 3.38Å; E245-K249 IonicContact OE1-NZ 3.97Å; E245-K249 PolarHBondContact OE1-NZ 3Å; D246-K249 PolarHBondContact O-N 2.7Å; D246-K249 IonicContact OD1-NZ 2.62Å; D246-K249 PolarHBondContact OD1-NZ 3.09Å; Y247-K249 VanDerWaalsContact C-N 3.33Å; Y247-K249 PolarHBondContact O-N 3.23Å; K249-Q251 VanDerWaalsContact C-N 3.32Å; K249-Q251 PolarHBondContact O-N 3.04Å; K249-H252 WeakPolarHBondContact O-CB 3.29Å; K249-H252 PolarHBondContact O-N 3.5Å; K249-L253 WeakPolarHBondContact O-CG 3.38Å; K249-L253 PolarHBondContact O-N 2.85Å |
| 250 | I | 93.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 108 Ų | 108 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.4 | -70.1 | 164.3 | 0 | 0 | 0 | 109.9 | D246 Y247 H252 L253 E254 | D246-I250 VanDerWaalsContact O-CG1 3.31Å; D246-I250 WeakPolarHBondContact O-CG1 3.32Å; D246-I250 PolarHBondContact O-N 2.83Å; Y247-I250 PolarHBondContact O-N 3.48Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 3.15Å; I250-L253 PolarHBondContact O-N 3.45Å; I250-L253 VanDerWaalsContact O-N 3.15Å; I250-E254 HydrophobicContact CG2-CG 4.38Å; I250-E254 WeakPolarHBondContact O-CG 3.43Å; I250-E254 PolarHBondContact O-N 2.85Å |
| 251 | Q | 93.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 108 Ų | 108 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -32.9 | 177.7 | -173.2 | 174.4 | 58.2 | 0 | 0 | 112.8 | Y247 K249 Q255 | Y247-Q251 WeakPolarHBondContact O-CB 3.22Å; Y247-Q251 PolarHBondContact O-N 2.77Å; K249-Q251 VanDerWaalsContact C-N 3.32Å; K249-Q251 PolarHBondContact O-N 3.04Å; Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.14Å; Q251-Q255 PolarHBondContact O-N 3.05Å; Q251-Q255 VanDerWaalsContact O-N 3.15Å |
| 252 | H | 92.9 | Very high | 93.6 | Very high | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 171.5 | -167.9 | -79.3 | 0 | 0 | 0 | 111.5 | E248 K249 I250 E254 Q255 E256 | E248-H252 PolarHBondContact O-N 2.97Å; E248-H252 VanDerWaalsContact O-N 3.09Å; K249-H252 WeakPolarHBondContact O-CB 3.29Å; K249-H252 PolarHBondContact O-N 3.5Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 3.15Å; H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 3.09Å; H252-Q255 WeakPolarHBondContact O-CB 3.33Å; H252-Q255 PolarHBondContact O-N 3.43Å; H252-Q255 VanDerWaalsContact O-N 3.09Å; H252-E256 IonicContact CE1-OE1 2.64Å; H252-E256 PolarHBondContact CE1-OE1 2.84Å; H252-E256 IonicContact CE1-OE2 2.69Å; H252-E256 PolarHBondContact CE1-OE2 3.48Å; H252-E256 VanDerWaalsContact CE1-OE2 3.3Å; H252-E256 IonicContact ND1-OE1 2.72Å; H252-E256 IonicContact ND1-OE2 2.69Å; H252-E256 PolarHBondContact ND1-OE2 3.22Å; H252-E256 PolarHBondContact O-N 3.34Å |
| 253 | L | 93.9 | Very high | 93.5 | Very high | 85 Ų | 85 | 104.3 Ų | 104.3 | 45% | 0.445 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.7 | -40.1 | 177.7 | -68.6 | 168.9 | 0 | 0 | 0 | 112 | K249 I250 Q255 E256 Y257 | K249-L253 WeakPolarHBondContact O-CG 3.38Å; K249-L253 PolarHBondContact O-N 2.85Å; I250-L253 PolarHBondContact O-N 3.45Å; I250-L253 VanDerWaalsContact O-N 3.15Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 3.09Å; L253-E256 PolarHBondContact O-N 3.15Å; L253-Y257 HydrophobicContact CB-CD2 4.48Å; L253-Y257 HydrophobicContact CB-CE2 4.38Å; L253-Y257 WeakPolarHBondContact O-CB 3.46Å; L253-Y257 WeakPolarHBondContact O-CD2 3.48Å; L253-Y257 PolarHBondContact O-N 3.48Å |
| 254 | E | 91.9 | Very high | 93.5 | Very high | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60 | -40.1 | 172.6 | -75.1 | -177.4 | 165.3 | 0 | 0 | 112.2 | I250 H252 K258 | I250-E254 HydrophobicContact CG2-CG 4.38Å; I250-E254 WeakPolarHBondContact O-CG 3.43Å; I250-E254 PolarHBondContact O-N 2.85Å; H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 3.09Å; E254-K258 WeakPolarHBondContact O-CB 3.34Å; E254-K258 PolarHBondContact O-N 3.28Å |
| 255 | Q | 93.6 | Very high | 93.5 | Very high | 122 Ų | 122 | 104.9 Ų | 104.9 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.7 | -38.6 | 175.9 | -72.5 | 175.3 | 39.2 | 0 | 0 | 112.1 | Q251 H252 L253 K259 | Q251-Q255 VanDerWaalsContact O-CG 3.3Å; Q251-Q255 WeakPolarHBondContact O-CG 3.14Å; Q251-Q255 PolarHBondContact O-N 3.05Å; Q251-Q255 VanDerWaalsContact O-N 3.15Å; H252-Q255 WeakPolarHBondContact O-CB 3.33Å; H252-Q255 PolarHBondContact O-N 3.43Å; H252-Q255 VanDerWaalsContact O-N 3.09Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 3.09Å; Q255-K259 WeakPolarHBondContact O-CB 3.46Å; Q255-K259 PolarHBondContact O-N 2.83Å |
| 256 | E | 93.5 | Very high | 93.4 | Very high | 102 Ų | 102 | 106 Ų | 106 | 48% | 0.477 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -48.3 | 175.1 | -72.1 | 179.4 | 120.6 | 0 | 0 | 111.8 | H252 L253 K258 K259 E260 | H252-E256 IonicContact CE1-OE1 2.64Å; H252-E256 PolarHBondContact CE1-OE1 2.84Å; H252-E256 IonicContact CE1-OE2 2.69Å; H252-E256 PolarHBondContact CE1-OE2 3.48Å; H252-E256 VanDerWaalsContact CE1-OE2 3.3Å; H252-E256 IonicContact ND1-OE1 2.72Å; H252-E256 IonicContact ND1-OE2 2.69Å; H252-E256 PolarHBondContact ND1-OE2 3.22Å; H252-E256 PolarHBondContact O-N 3.34Å; L253-E256 PolarHBondContact O-N 3.15Å; E256-K258 PolarHBondContact O-N 2.92Å; E256-K259 WeakPolarHBondContact O-CB 3.47Å; E256-K259 PolarHBondContact O-N 3.06Å; E256-E260 PolarHBondContact O-N 2.88Å |
| 257 | Y | 92.9 | Very high | 93.5 | Very high | 148 Ų | 148 | 107.7 Ų | 107.7 | 58% | 0.58 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 174.6 | -73.1 | -54 | 0 | 0 | 0 | 112.2 | L253 K259 E260 I261 | L253-Y257 HydrophobicContact CB-CD2 4.48Å; L253-Y257 HydrophobicContact CB-CE2 4.38Å; L253-Y257 WeakPolarHBondContact O-CB 3.46Å; L253-Y257 WeakPolarHBondContact O-CD2 3.48Å; L253-Y257 PolarHBondContact O-N 3.48Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 3.29Å; Y257-E260 PolarHBondContact O-N 2.99Å; Y257-I261 WeakPolarHBondContact O-CB 3.26Å; Y257-I261 VanDerWaalsContact O-CG1 3.25Å; Y257-I261 WeakPolarHBondContact O-CG1 3.38Å; Y257-I261 PolarHBondContact O-N 3.36Å |
| 258 | K | 94.6 | Very high | 93.5 | Very high | 158 Ų | 158 | 105.8 Ų | 105.8 | 69% | 0.687 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.2 | -34.6 | 175.2 | -175.4 | 171.4 | -176.5 | 173 | 0 | 112.2 | E254 E256 N262 | E254-K258 WeakPolarHBondContact O-CB 3.34Å; E254-K258 PolarHBondContact O-N 3.28Å; E256-K258 PolarHBondContact O-N 2.92Å; K258-N262 VanDerWaalsContact O-CB 3.31Å; K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 2.82Å; K258-N262 VanDerWaalsContact O-N 3.14Å |
| 259 | K | 93.1 | Very high | 93.4 | Very high | 140 Ų | 140 | 103.9 Ų | 103.9 | 61% | 0.609 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68 | -46.4 | 171.8 | -176.6 | -171.4 | 171.3 | -167.3 | 0 | 111.2 | Q255 E256 Y257 N262 D263 | Q255-K259 WeakPolarHBondContact O-CB 3.46Å; Q255-K259 PolarHBondContact O-N 2.83Å; E256-K259 WeakPolarHBondContact O-CB 3.47Å; E256-K259 PolarHBondContact O-N 3.06Å; Y257-K259 VanDerWaalsContact C-N 3.29Å; Y257-K259 PolarHBondContact O-N 3.29Å; K259-N262 PolarHBondContact O-N 2.99Å; K259-D263 PolarHBondContact O-N 3.45Å |
| 260 | E | 94 | Very high | 93.4 | Very high | 95 Ų | 95 | 104.2 Ų | 104.2 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 176.5 | -177.5 | 171.2 | -164.8 | 0 | 0 | 111.1 | E256 Y257 N262 D263 K264 | E256-E260 PolarHBondContact O-N 2.88Å; Y257-E260 PolarHBondContact O-N 2.99Å; E260-N262 VanDerWaalsContact C-N 3.31Å; E260-N262 PolarHBondContact O-N 2.91Å; E260-D263 CarbonylContact O-C 3.6Å; E260-D263 PolarHBondContact O-N 2.71Å; E260-K264 HydrophobicContact CG-CG 4.14Å; E260-K264 WeakPolarHBondContact O-CG 3.35Å; E260-K264 PolarHBondContact O-N 2.86Å; E260-K264 WeakPolarHBondContact OE1-CE 3.47Å; E260-K264 IonicContact OE1-NZ 2.84Å; E260-K264 PolarHBondContact OE1-NZ 3.32Å |
| 261 | I | 92.4 | Very high | 93.4 | Very high | 111 Ų | 111 | 104.5 Ų | 104.5 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -54.3 | -47.4 | 176.5 | -71.2 | 164.5 | 0 | 0 | 0 | 110.8 | Y257 D263 K264 E265 | Y257-I261 WeakPolarHBondContact O-CB 3.26Å; Y257-I261 VanDerWaalsContact O-CG1 3.25Å; Y257-I261 WeakPolarHBondContact O-CG1 3.38Å; Y257-I261 PolarHBondContact O-N 3.36Å; I261-D263 PolarHBondContact O-N 2.68Å; I261-K264 PolarHBondContact O-N 3.09Å; I261-E265 VanDerWaalsContact O-CB 3.28Å; I261-E265 WeakPolarHBondContact O-CB 3.47Å; I261-E265 PolarHBondContact O-N 2.9Å |
| 262 | N | 94.6 | Very high | 93.4 | Very high | 75 Ų | 75 | 105.9 Ų | 105.9 | 40% | 0.401 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 177.3 | -172.2 | -18.7 | 0 | 0 | 0 | 112 | K258 K259 E260 E265 K266 | K258-N262 VanDerWaalsContact O-CB 3.31Å; K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 2.82Å; K258-N262 VanDerWaalsContact O-N 3.14Å; K259-N262 PolarHBondContact O-N 2.99Å; E260-N262 VanDerWaalsContact C-N 3.31Å; E260-N262 PolarHBondContact O-N 2.91Å; N262-E265 PolarHBondContact O-N 3.08Å; N262-K266 VanDerWaalsContact O-CG 3.3Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å; N262-K266 PolarHBondContact O-N 2.93Å; N262-K266 WeakPolarHBondContact OD1-CE 3.5Å; N262-K266 PolarHBondContact OD1-NZ 3.45Å; N262-K266 VanDerWaalsContact OD1-NZ 3.15Å |
| 263 | D | 93.9 | Very high | 93.4 | Very high | 61 Ų | 61 | 105.2 Ų | 105.2 | 33% | 0.326 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.7 | -30.1 | 175.5 | -69.8 | -22.5 | 0 | 0 | 0 | 112.9 | K259 E260 I261 K266 Q267 | K259-D263 PolarHBondContact O-N 3.45Å; E260-D263 CarbonylContact O-C 3.6Å; E260-D263 PolarHBondContact O-N 2.71Å; I261-D263 PolarHBondContact O-N 2.68Å; D263-K266 IonicContact OD1-NZ 3.34Å; D263-K266 PolarHBondContact OD1-NZ 3.32Å; D263-Q267 WeakPolarHBondContact O-CG 3.49Å; D263-Q267 PolarHBondContact O-N 3.43Å |
| 264 | K | 93.6 | Very high | 93.4 | Very high | 101 Ų | 101 | 105.7 Ų | 105.7 | 44% | 0.439 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.4 | -39.6 | 168 | -60.8 | -65.4 | 177.1 | 178.2 | 0 | 111.7 | E260 I261 K266 Q267 V268 | E260-K264 HydrophobicContact CG-CG 4.14Å; E260-K264 WeakPolarHBondContact O-CG 3.35Å; E260-K264 PolarHBondContact O-N 2.86Å; E260-K264 WeakPolarHBondContact OE1-CE 3.47Å; E260-K264 IonicContact OE1-NZ 2.84Å; E260-K264 PolarHBondContact OE1-NZ 3.32Å; I261-K264 PolarHBondContact O-N 3.09Å; K264-K266 VanDerWaalsContact C-N 3.32Å; K264-K266 PolarHBondContact O-N 3.3Å; K264-Q267 CarbonylContact O-C 3.56Å; K264-Q267 WeakPolarHBondContact O-CA 3.29Å; K264-Q267 WeakPolarHBondContact O-CB 3.23Å; K264-Q267 PolarHBondContact O-N 3.28Å; K264-V268 WeakPolarHBondContact O-CG2 3.45Å; K264-V268 PolarHBondContact O-N 3.47Å |
| 265 | E | 93.2 | Very high | 93.2 | Very high | 121 Ų | 121 | 104.4 Ų | 104.4 | 57% | 0.565 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -37.2 | 177.6 | -174.2 | 172.4 | -153.5 | 0 | 0 | 111.3 | I261 N262 V268 S269 | I261-E265 VanDerWaalsContact O-CB 3.28Å; I261-E265 WeakPolarHBondContact O-CB 3.47Å; I261-E265 PolarHBondContact O-N 2.9Å; N262-E265 PolarHBondContact O-N 3.08Å; E265-V268 PolarHBondContact O-N 2.93Å; E265-S269 WeakPolarHBondContact O-CB 3.32Å; E265-S269 PolarHBondContact O-N 3.49Å; E265-S269 PolarHBondContact O-OG 2.72Å |
| 266 | K | 93.1 | Very high | 93.1 | Very high | 106 Ų | 106 | 101.4 Ų | 101.4 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 167.5 | -70.1 | 165.5 | -159 | 146.3 | 0 | 112.7 | N262 D263 K264 S269 L270 | N262-K266 VanDerWaalsContact O-CG 3.3Å; N262-K266 WeakPolarHBondContact O-CG 3.4Å; N262-K266 PolarHBondContact O-N 2.93Å; N262-K266 WeakPolarHBondContact OD1-CE 3.5Å; N262-K266 PolarHBondContact OD1-NZ 3.45Å; N262-K266 VanDerWaalsContact OD1-NZ 3.15Å; D263-K266 IonicContact OD1-NZ 3.34Å; D263-K266 PolarHBondContact OD1-NZ 3.32Å; K264-K266 VanDerWaalsContact C-N 3.32Å; K264-K266 PolarHBondContact O-N 3.3Å; K266-S269 PolarHBondContact O-N 3.27Å; K266-L270 WeakPolarHBondContact O-CB 3.44Å; K266-L270 PolarHBondContact O-N 3.03Å |
| 267 | Q | 94.1 | Very high | 93.1 | Very high | 110 Ų | 110 | 100.8 Ų | 100.8 | 51% | 0.514 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 176.4 | -71.9 | 171.6 | 16.8 | 0 | 0 | 111.5 | D263 K264 L270 L271 | D263-Q267 WeakPolarHBondContact O-CG 3.49Å; D263-Q267 PolarHBondContact O-N 3.43Å; K264-Q267 CarbonylContact O-C 3.56Å; K264-Q267 WeakPolarHBondContact O-CA 3.29Å; K264-Q267 WeakPolarHBondContact O-CB 3.23Å; K264-Q267 PolarHBondContact O-N 3.28Å; Q267-L270 PolarHBondContact O-N 2.95Å; Q267-L271 WeakPolarHBondContact O-CG 3.4Å; Q267-L271 PolarHBondContact O-N 2.92Å |
| 268 | V | 91.8 | Very high | 93 | Very high | 96 Ų | 96 | 100.7 Ų | 100.7 | 58% | 0.582 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -43.5 | 173.6 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | K264 E265 L270 L271 L272 | K264-V268 WeakPolarHBondContact O-CG2 3.45Å; K264-V268 PolarHBondContact O-N 3.47Å; E265-V268 PolarHBondContact O-N 2.93Å; V268-L270 PolarHBondContact O-N 3.27Å; V268-L271 PolarHBondContact O-N 3.34Å; V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 PolarHBondContact O-N 3.17Å |
| 269 | S | 93.5 | Very high | 92.9 | Very high | 57 Ų | 57 | 97.5 Ų | 97.5 | 40% | 0.399 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | E265 K266 L272 I273 | E265-S269 WeakPolarHBondContact O-CB 3.32Å; E265-S269 PolarHBondContact O-N 3.49Å; E265-S269 PolarHBondContact O-OG 2.72Å; K266-S269 PolarHBondContact O-N 3.27Å; S269-L272 PolarHBondContact O-N 3.07Å; S269-I273 VanDerWaalsContact O-CG1 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.4Å; S269-I273 PolarHBondContact O-N 2.9Å |
| 270 | L | 94.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 94.6 Ų | 94.6 | 53% | 0.534 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | 176.3 | -177.4 | 65.6 | 0 | 0 | 0 | 111.8 | K266 Q267 V268 I273 Q274 | K266-L270 WeakPolarHBondContact O-CB 3.44Å; K266-L270 PolarHBondContact O-N 3.03Å; Q267-L270 PolarHBondContact O-N 2.95Å; V268-L270 PolarHBondContact O-N 3.27Å; L270-I273 PolarHBondContact O-N 2.93Å; L270-Q274 WeakPolarHBondContact O-CG 3.42Å; L270-Q274 PolarHBondContact O-N 3.44Å |
| 271 | L | 92.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 174.1 | -71.4 | 170.1 | 0 | 0 | 0 | 111.6 | Q267 V268 Q274 I275 | Q267-L271 WeakPolarHBondContact O-CG 3.4Å; Q267-L271 PolarHBondContact O-N 2.92Å; V268-L271 PolarHBondContact O-N 3.34Å; L271-Q274 PolarHBondContact O-N 3.16Å; L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.1Å; L271-I275 PolarHBondContact O-N 3.01Å |
| 272 | L | 93.4 | Very high | 92.6 | Very high | 108 Ų | 108 | 95.4 Ų | 95.4 | 57% | 0.565 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -44.2 | 175.5 | -165.8 | 73.6 | 0 | 0 | 0 | 111.2 | V268 S269 Q274 I275 T276 | V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 PolarHBondContact O-N 3.17Å; S269-L272 PolarHBondContact O-N 3.07Å; L272-Q274 VanDerWaalsContact C-N 3.35Å; L272-Q274 PolarHBondContact O-N 3.26Å; L272-I275 WeakPolarHBondContact O-CB 3.43Å; L272-I275 PolarHBondContact O-N 3.01Å; L272-T276 WeakPolarHBondContact O-CG2 3.31Å; L272-T276 PolarHBondContact O-N 3.29Å; L272-T276 PolarHBondContact O-OG1 2.86Å |
| 273 | I | 93.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 97.1 Ų | 97.1 | 48% | 0.482 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.8 | -48 | 172.2 | -69 | 163 | 0 | 0 | 0 | 110.2 | S269 L270 I275 T276 E277 | S269-I273 VanDerWaalsContact O-CG1 3.32Å; S269-I273 WeakPolarHBondContact O-CG1 3.4Å; S269-I273 PolarHBondContact O-N 2.9Å; L270-I273 PolarHBondContact O-N 2.93Å; I273-I275 VanDerWaalsContact C-N 3.3Å; I273-I275 PolarHBondContact O-N 3.21Å; I273-T276 WeakPolarHBondContact CA-OG1 3.37Å; I273-T276 PolarHBondContact O-N 3.37Å; I273-T276 VanDerWaalsContact O-N 3.17Å; I273-T276 PolarHBondContact O-OG1 3.36Å; I273-E277 PolarHBondContact O-N 2.94Å |
| 274 | Q | 92.9 | Very high | 92.2 | Very high | 95 Ų | 95 | 98.8 Ų | 98.8 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 176.6 | -72.5 | 178.6 | 11.1 | 0 | 0 | 112.9 | L270 L271 L272 K278 | L270-Q274 WeakPolarHBondContact O-CG 3.42Å; L270-Q274 PolarHBondContact O-N 3.44Å; L271-Q274 PolarHBondContact O-N 3.16Å; L272-Q274 VanDerWaalsContact C-N 3.35Å; L272-Q274 PolarHBondContact O-N 3.26Å; Q274-K278 WeakPolarHBondContact O-CB 3.46Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 2.86Å |
| 275 | I | 89.4 | Confident | 92.1 | Very high | 92 Ų | 92 | 99.6 Ų | 99.6 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -50.3 | 173.3 | -71.3 | 162.6 | 0 | 0 | 0 | 110 | L271 L272 I273 E277 K278 E279 | L271-I275 VanDerWaalsContact O-CG1 3.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.1Å; L271-I275 PolarHBondContact O-N 3.01Å; L272-I275 WeakPolarHBondContact O-CB 3.43Å; L272-I275 PolarHBondContact O-N 3.01Å; I273-I275 VanDerWaalsContact C-N 3.3Å; I273-I275 PolarHBondContact O-N 3.21Å; I275-E277 VanDerWaalsContact C-N 3.31Å; I275-E277 PolarHBondContact O-N 3.25Å; I275-K278 CarbonylContact O-C 3.54Å; I275-K278 WeakPolarHBondContact O-CA 3.47Å; I275-K278 PolarHBondContact O-N 3.04Å; I275-E279 HydrophobicContact CG2-CG 4.37Å; I275-E279 WeakPolarHBondContact O-CG 3.3Å; I275-E279 PolarHBondContact O-N 2.89Å |
| 276 | T | 91.4 | Very high | 92 | Very high | 60 Ų | 60 | 97.7 Ų | 97.7 | 37% | 0.368 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 178.1 | 60.8 | 0 | 0 | 0 | 0 | 113 | L272 I273 N280 | L272-T276 WeakPolarHBondContact O-CG2 3.31Å; L272-T276 PolarHBondContact O-N 3.29Å; L272-T276 PolarHBondContact O-OG1 2.86Å; I273-T276 WeakPolarHBondContact CA-OG1 3.37Å; I273-T276 PolarHBondContact O-N 3.37Å; I273-T276 VanDerWaalsContact O-N 3.17Å; I273-T276 PolarHBondContact O-OG1 3.36Å; T276-N280 WeakPolarHBondContact O-CB 3.36Å; T276-N280 PolarHBondContact O-N 3.41Å; T276-N280 PolarHBondContact O-ND2 3.33Å; T276-N280 PolarHBondContact O-OD1 3.49Å |
| 277 | E | 92.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 99.7 Ų | 99.7 | 42% | 0.416 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 170.4 | -85.2 | -167 | -135.4 | 0 | 0 | 112.3 | I273 I275 N280 K281 | I273-E277 PolarHBondContact O-N 2.94Å; I275-E277 VanDerWaalsContact C-N 3.31Å; I275-E277 PolarHBondContact O-N 3.25Å; E277-N280 PolarHBondContact O-N 3.41Å; E277-K281 WeakPolarHBondContact O-CB 3.5Å; E277-K281 VanDerWaalsContact O-CD 3.3Å; E277-K281 WeakPolarHBondContact O-CD 3.3Å; E277-K281 VanDerWaalsContact O-CG 3.24Å; E277-K281 WeakPolarHBondContact O-CG 3.28Å; E277-K281 PolarHBondContact O-N 3.43Å; E277-K281 IonicContact OE2-NZ 3.64Å; E277-K281 PolarHBondContact OE2-NZ 3Å |
| 278 | K | 91.5 | Very high | 91.7 | Very high | 146 Ų | 146 | 99.1 Ų | 99.1 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | -179.9 | -70.7 | -75.6 | -178.9 | 173.7 | 0 | 111.4 | Q274 I275 M282 | Q274-K278 WeakPolarHBondContact O-CB 3.46Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 2.86Å; I275-K278 CarbonylContact O-C 3.54Å; I275-K278 WeakPolarHBondContact O-CA 3.47Å; I275-K278 PolarHBondContact O-N 3.04Å; K278-M282 VanDerWaalsContact O-CB 3.27Å; K278-M282 WeakPolarHBondContact O-CB 3.43Å; K278-M282 PolarHBondContact O-N 3.32Å |
| 279 | E | 92.1 | Very high | 91.5 | Very high | 91 Ų | 91 | 99.9 Ų | 99.9 | 43% | 0.425 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.6 | -42.7 | 170.5 | -74.1 | -169.1 | 163 | 0 | 0 | 112 | I275 M282 K283 | I275-E279 HydrophobicContact CG2-CG 4.37Å; I275-E279 WeakPolarHBondContact O-CG 3.3Å; I275-E279 PolarHBondContact O-N 2.89Å; E279-M282 CarbonylContact O-C 3.49Å; E279-M282 WeakPolarHBondContact O-CA 3.44Å; E279-M282 WeakPolarHBondContact O-CB 3.48Å; E279-M282 PolarHBondContact O-N 3.2Å; E279-M282 VanDerWaalsContact O-N 3.16Å; E279-K283 VanDerWaalsContact O-CG 3.27Å; E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 3.09Å; E279-K283 IonicContact OE2-NZ 2.58Å; E279-K283 PolarHBondContact OE2-NZ 3.41Å |
| 280 | N | 92.4 | Very high | 91.4 | Very high | 79 Ų | 79 | 100.9 Ų | 100.9 | 42% | 0.422 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 178.9 | -68.4 | -13.9 | 0 | 0 | 0 | 110.6 | T276 E277 M282 K283 D284 | T276-N280 WeakPolarHBondContact O-CB 3.36Å; T276-N280 PolarHBondContact O-N 3.41Å; T276-N280 PolarHBondContact O-ND2 3.33Å; T276-N280 PolarHBondContact O-OD1 3.49Å; E277-N280 PolarHBondContact O-N 3.41Å; N280-M282 PolarHBondContact O-N 2.62Å; N280-K283 WeakPolarHBondContact O-CB 3.45Å; N280-K283 PolarHBondContact O-N 2.87Å; N280-K283 PolarHBondContact OD1-NZ 2.98Å; N280-D284 PolarHBondContact O-N 3.23Å |
| 281 | K | 92.6 | Very high | 91.1 | Very high | 102 Ų | 102 | 99.9 Ų | 99.9 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -29.8 | 171 | -69.4 | 158.6 | -171.4 | 168.1 | 0 | 112.5 | E277 L285 | E277-K281 WeakPolarHBondContact O-CB 3.5Å; E277-K281 VanDerWaalsContact O-CD 3.3Å; E277-K281 WeakPolarHBondContact O-CD 3.3Å; E277-K281 VanDerWaalsContact O-CG 3.24Å; E277-K281 WeakPolarHBondContact O-CG 3.28Å; E277-K281 PolarHBondContact O-N 3.43Å; E277-K281 IonicContact OE2-NZ 3.64Å; E277-K281 PolarHBondContact OE2-NZ 3Å; K281-L285 WeakPolarHBondContact O-CB 3.45Å; K281-L285 WeakPolarHBondContact O-CD1 3.48Å; K281-L285 VanDerWaalsContact O-CG 3.25Å; K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.32Å; K281-L285 VanDerWaalsContact O-N 3.1Å |
| 282 | M | 89.3 | Confident | 90.7 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 60% | 0.596 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -73.8 | -42.2 | 173.5 | -167.5 | -174.4 | -53.7 | 0 | 0 | 111.8 | K278 E279 N280 D284 L285 T286 | K278-M282 VanDerWaalsContact O-CB 3.27Å; K278-M282 WeakPolarHBondContact O-CB 3.43Å; K278-M282 PolarHBondContact O-N 3.32Å; E279-M282 CarbonylContact O-C 3.49Å; E279-M282 WeakPolarHBondContact O-CA 3.44Å; E279-M282 WeakPolarHBondContact O-CB 3.48Å; E279-M282 PolarHBondContact O-N 3.2Å; E279-M282 VanDerWaalsContact O-N 3.16Å; N280-M282 PolarHBondContact O-N 2.62Å; M282-D284 VanDerWaalsContact C-N 3.35Å; M282-L285 PolarHBondContact O-N 3.5Å; M282-T286 WeakPolarHBondContact O-CB 3.43Å; M282-T286 PolarHBondContact O-N 3.45Å; M282-T286 PolarHBondContact O-OG1 2.99Å |
| 283 | K | 90.9 | Very high | 90.5 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 172.9 | -66.8 | 159.5 | -156.8 | 158.9 | 0 | 110.9 | E279 N280 T286 F287 | E279-K283 VanDerWaalsContact O-CG 3.27Å; E279-K283 WeakPolarHBondContact O-CG 3.45Å; E279-K283 PolarHBondContact O-N 3.09Å; E279-K283 IonicContact OE2-NZ 2.58Å; E279-K283 PolarHBondContact OE2-NZ 3.41Å; N280-K283 WeakPolarHBondContact O-CB 3.45Å; N280-K283 PolarHBondContact O-N 2.87Å; N280-K283 PolarHBondContact OD1-NZ 2.98Å; K283-T286 PolarHBondContact O-N 2.86Å; K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 2.9Å |
| 284 | D | 89.3 | Confident | 90.4 | Very high | 96 Ų | 96 | 98.7 Ų | 98.7 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.4 | -59.3 | -29.5 | 0 | 0 | 0 | 111.2 | N280 M282 F287 L288 | N280-D284 PolarHBondContact O-N 3.23Å; M282-D284 VanDerWaalsContact C-N 3.35Å; D284-F287 PolarHBondContact O-N 2.95Å; D284-L288 WeakPolarHBondContact O-CG 3.49Å; D284-L288 PolarHBondContact O-N 2.69Å |
| 285 | L | 90.4 | Very high | 90.2 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.1 | -36.8 | 174.2 | -75.4 | 169.5 | 0 | 0 | 0 | 112.6 | K281 M282 L289 | K281-L285 WeakPolarHBondContact O-CB 3.45Å; K281-L285 WeakPolarHBondContact O-CD1 3.48Å; K281-L285 VanDerWaalsContact O-CG 3.25Å; K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.32Å; K281-L285 VanDerWaalsContact O-N 3.1Å; M282-L285 PolarHBondContact O-N 3.5Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.98Å |
| 286 | T | 91.1 | Very high | 90.1 | Very high | 80 Ų | 80 | 98.5 Ų | 98.5 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.5 | -39.5 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | M282 K283 L289 E290 | M282-T286 WeakPolarHBondContact O-CB 3.43Å; M282-T286 PolarHBondContact O-N 3.45Å; M282-T286 PolarHBondContact O-OG1 2.99Å; K283-T286 PolarHBondContact O-N 2.86Å; T286-L289 WeakPolarHBondContact O-CB 3.44Å; T286-L289 PolarHBondContact O-N 3.01Å; T286-E290 PolarHBondContact O-N 3.23Å |
| 287 | F | 90.1 | Very high | 90 | Very high | 149 Ų | 149 | 98.8 Ų | 98.8 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 174.3 | -179.7 | -95 | 0 | 0 | 0 | 111.5 | K283 D284 L289 E290 E291 | K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 2.9Å; D284-F287 PolarHBondContact O-N 2.95Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 3.38Å; F287-E290 PolarHBondContact O-N 2.74Å; F287-E291 WeakPolarHBondContact O-CB 3.25Å; F287-E291 PolarHBondContact O-N 3.27Å |
| 288 | L | 90.6 | Very high | 89.8 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -35 | 173.6 | -72.3 | 168.4 | 0 | 0 | 0 | 112.4 | D284 S292 | D284-L288 WeakPolarHBondContact O-CG 3.49Å; D284-L288 PolarHBondContact O-N 2.69Å; L288-S292 WeakPolarHBondContact O-CB 3.38Å; L288-S292 PolarHBondContact O-N 3.39Å |
| 289 | L | 87.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 97.6 Ų | 97.6 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.4 | -48.1 | 174.4 | -169.1 | 76.7 | 0 | 0 | 0 | 110.9 | L285 T286 F287 S292 R293 | L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 2.98Å; T286-L289 WeakPolarHBondContact O-CB 3.44Å; T286-L289 PolarHBondContact O-N 3.01Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 3.38Å; L289-S292 WeakPolarHBondContact O-CB 3.21Å; L289-S292 PolarHBondContact O-N 3Å; L289-S292 PolarHBondContact O-OG 2.65Å; L289-R293 WeakPolarHBondContact O-CB 3.34Å; L289-R293 PolarHBondContact O-N 3.1Å |
| 290 | E | 91.1 | Very high | 89.2 | Confident | 78 Ų | 78 | 97.9 Ų | 97.9 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.2 | -37.2 | -180 | -154 | 66.8 | -171.3 | 0 | 0 | 111.5 | T286 F287 S292 R293 D294 | T286-E290 PolarHBondContact O-N 3.23Å; F287-E290 PolarHBondContact O-N 2.74Å; E290-S292 VanDerWaalsContact C-N 3.29Å; E290-S292 PolarHBondContact O-N 3.11Å; E290-R293 CarbonylContact O-C 3.53Å; E290-R293 WeakPolarHBondContact O-CA 3.4Å; E290-R293 VanDerWaalsContact O-CB 3.3Å; E290-R293 WeakPolarHBondContact O-CB 3.26Å; E290-R293 PolarHBondContact O-N 2.6Å; E290-R293 VanDerWaalsContact O-N 3.08Å; E290-R293 VanDerWaalsContact OE1-CD 3.27Å; E290-R293 WeakPolarHBondContact OE1-CD 3.41Å; E290-R293 IonicContact OE1-CZ 3.52Å; E290-R293 IonicContact OE1-NE 2.75Å; E290-R293 IonicContact OE1-NH1 2.67Å; E290-R293 PolarHBondContact OE1-NH1 3.23Å; E290-R293 WeakPolarHBondContact OE2-CD 3.44Å; E290-R293 IonicContact OE2-NH1 3.89Å; E290-R293 PolarHBondContact OE2-NH1 3.47Å; E290-D294 PolarHBondContact O-N 3.33Å |
| 291 | E | 88.7 | Confident | 88.8 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 37% | 0.374 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -35.3 | 171.7 | -161 | -139 | -179.1 | 0 | 0 | 111.7 | F287 K295 | F287-E291 WeakPolarHBondContact O-CB 3.25Å; F287-E291 PolarHBondContact O-N 3.27Å; E291-K295 VanDerWaalsContact CD-CE 3.45Å; E291-K295 WeakPolarHBondContact O-CD 3.3Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.37Å; E291-K295 PolarHBondContact O-N 2.87Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.48Å; E291-K295 IonicContact OE1-NZ 3.35Å; E291-K295 PolarHBondContact OE1-NZ 3.39Å; E291-K295 IonicContact OE2-NZ 2.76Å; E291-K295 PolarHBondContact OE2-NZ 3.45Å |
| 292 | S | 84.9 | Confident | 88.4 | Confident | 57 Ų | 57 | 101 Ų | 101 | 40% | 0.399 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.5 | -35.4 | 171.7 | 83.1 | 0 | 0 | 0 | 0 | 112.3 | L288 L289 E290 K295 V296 | L288-S292 WeakPolarHBondContact O-CB 3.38Å; L288-S292 PolarHBondContact O-N 3.39Å; L289-S292 WeakPolarHBondContact O-CB 3.21Å; L289-S292 PolarHBondContact O-N 3Å; L289-S292 PolarHBondContact O-OG 2.65Å; E290-S292 VanDerWaalsContact C-N 3.29Å; E290-S292 PolarHBondContact O-N 3.11Å; S292-K295 PolarHBondContact O-N 2.97Å; S292-V296 WeakPolarHBondContact O-CG2 3.45Å; S292-V296 PolarHBondContact O-N 2.87Å |
| 293 | R | 89.9 | Confident | 88.1 | Confident | 138 Ų | 138 | 99.3 Ų | 99.3 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67 | -43.6 | 176.3 | -169.2 | -167.8 | -170.3 | 175 | 2.9 | 111 | L289 E290 K295 V296 N297 | L289-R293 WeakPolarHBondContact O-CB 3.34Å; L289-R293 PolarHBondContact O-N 3.1Å; E290-R293 CarbonylContact O-C 3.53Å; E290-R293 WeakPolarHBondContact O-CA 3.4Å; E290-R293 VanDerWaalsContact O-CB 3.3Å; E290-R293 WeakPolarHBondContact O-CB 3.26Å; E290-R293 PolarHBondContact O-N 2.6Å; E290-R293 VanDerWaalsContact O-N 3.08Å; E290-R293 VanDerWaalsContact OE1-CD 3.27Å; E290-R293 WeakPolarHBondContact OE1-CD 3.41Å; E290-R293 IonicContact OE1-CZ 3.52Å; E290-R293 IonicContact OE1-NE 2.75Å; E290-R293 IonicContact OE1-NH1 2.67Å; E290-R293 PolarHBondContact OE1-NH1 3.23Å; E290-R293 WeakPolarHBondContact OE2-CD 3.44Å; E290-R293 IonicContact OE2-NH1 3.89Å; E290-R293 PolarHBondContact OE2-NH1 3.47Å; R293-K295 VanDerWaalsContact C-N 3.33Å; R293-K295 PolarHBondContact O-N 3.38Å; R293-V296 CarbonylContact O-C 3.5Å; R293-V296 WeakPolarHBondContact O-CA 3.49Å; R293-V296 WeakPolarHBondContact O-CB 3.34Å; R293-V296 PolarHBondContact O-N 2.86Å; R293-V296 VanDerWaalsContact O-N 3.1Å; R293-N297 PolarHBondContact O-N 2.8Å; R293-N297 PolarHBondContact O-ND2 2.83Å; R293-N297 PolarHBondContact O-OD1 2.73Å |
| 294 | D | 89.9 | Confident | 87.9 | Confident | 81 Ų | 81 | 99.2 Ų | 99.2 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 174.8 | -79.3 | -22.4 | 0 | 0 | 0 | 112.3 | E290 V296 N297 Q298 | E290-D294 PolarHBondContact O-N 3.33Å; D294-V296 VanDerWaalsContact C-N 3.33Å; D294-V296 PolarHBondContact O-N 2.94Å; D294-N297 PolarHBondContact O-N 3.36Å; D294-N297 PolarHBondContact OD1-ND2 2.84Å; D294-Q298 WeakPolarHBondContact O-CB 3.38Å; D294-Q298 VanDerWaalsContact O-CG 3.29Å; D294-Q298 WeakPolarHBondContact O-CG 3.45Å; D294-Q298 PolarHBondContact O-N 2.71Å |
| 295 | K | 89.8 | Confident | 87.6 | Confident | 97 Ų | 97 | 99.9 Ų | 99.9 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -39.6 | 170.5 | -71.2 | 162.7 | -172.3 | 171.9 | 0 | 111.7 | E291 S292 R293 L299 | E291-K295 VanDerWaalsContact CD-CE 3.45Å; E291-K295 WeakPolarHBondContact O-CD 3.3Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.37Å; E291-K295 PolarHBondContact O-N 2.87Å; E291-K295 VanDerWaalsContact O-N 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.48Å; E291-K295 IonicContact OE1-NZ 3.35Å; E291-K295 PolarHBondContact OE1-NZ 3.39Å; E291-K295 IonicContact OE2-NZ 2.76Å; E291-K295 PolarHBondContact OE2-NZ 3.45Å; S292-K295 PolarHBondContact O-N 2.97Å; R293-K295 VanDerWaalsContact C-N 3.33Å; R293-K295 PolarHBondContact O-N 3.38Å; K295-L299 VanDerWaalsContact O-CG 3.26Å; K295-L299 WeakPolarHBondContact O-CG 3.38Å; K295-L299 PolarHBondContact O-N 3.19Å; K295-L299 VanDerWaalsContact O-N 3.1Å |
| 296 | V | 86.6 | Confident | 87.1 | Confident | 86 Ų | 86 | 100.4 Ų | 100.4 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 173.1 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | S292 R293 D294 Q298 L299 E300 | S292-V296 WeakPolarHBondContact O-CG2 3.45Å; S292-V296 PolarHBondContact O-N 2.87Å; R293-V296 CarbonylContact O-C 3.5Å; R293-V296 WeakPolarHBondContact O-CA 3.49Å; R293-V296 WeakPolarHBondContact O-CB 3.34Å; R293-V296 PolarHBondContact O-N 2.86Å; R293-V296 VanDerWaalsContact O-N 3.1Å; D294-V296 VanDerWaalsContact C-N 3.33Å; D294-V296 PolarHBondContact O-N 2.94Å; V296-Q298 VanDerWaalsContact C-N 3.35Å; V296-Q298 PolarHBondContact O-N 3.23Å; V296-L299 WeakPolarHBondContact O-CB 3.46Å; V296-L299 PolarHBondContact O-N 3.06Å; V296-L299 VanDerWaalsContact O-N 3.09Å; V296-E300 PolarHBondContact O-N 2.89Å |
| 297 | N | 88.8 | Confident | 86.5 | Confident | 66 Ų | 66 | 100 Ų | 100 | 35% | 0.353 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56 | -48.3 | 176.5 | -64.1 | -25.9 | 0 | 0 | 0 | 110.8 | R293 D294 L299 E300 E301 | R293-N297 PolarHBondContact O-N 2.8Å; R293-N297 PolarHBondContact O-ND2 2.83Å; R293-N297 PolarHBondContact O-OD1 2.73Å; D294-N297 PolarHBondContact O-N 3.36Å; D294-N297 PolarHBondContact OD1-ND2 2.84Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 3.2Å; N297-E300 PolarHBondContact O-N 2.89Å; N297-E301 PolarHBondContact O-N 2.99Å |
| 298 | Q | 88.1 | Confident | 86.2 | Confident | 102 Ų | 102 | 98.6 Ų | 98.6 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.6 | -32.9 | 176.7 | -72.7 | 177.7 | 31 | 0 | 0 | 113.4 | D294 V296 K302 | D294-Q298 WeakPolarHBondContact O-CB 3.38Å; D294-Q298 VanDerWaalsContact O-CG 3.29Å; D294-Q298 WeakPolarHBondContact O-CG 3.45Å; D294-Q298 PolarHBondContact O-N 2.71Å; V296-Q298 VanDerWaalsContact C-N 3.35Å; V296-Q298 PolarHBondContact O-N 3.23Å; Q298-K302 WeakPolarHBondContact O-CB 3.38Å; Q298-K302 WeakPolarHBondContact O-CD 3.45Å; Q298-K302 WeakPolarHBondContact O-CG 3.4Å; Q298-K302 PolarHBondContact O-N 2.88Å |
| 299 | L | 83.9 | Confident | 85.8 | Confident | 108 Ų | 108 | 98.4 Ų | 98.4 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72.4 | -38.4 | 174 | -73.8 | 169 | 0 | 0 | 0 | 111.3 | K295 V296 N297 K302 T303 | K295-L299 VanDerWaalsContact O-CG 3.26Å; K295-L299 WeakPolarHBondContact O-CG 3.38Å; K295-L299 PolarHBondContact O-N 3.19Å; K295-L299 VanDerWaalsContact O-N 3.1Å; V296-L299 WeakPolarHBondContact O-CB 3.46Å; V296-L299 PolarHBondContact O-N 3.06Å; V296-L299 VanDerWaalsContact O-N 3.09Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 3.2Å; L299-K302 PolarHBondContact O-N 3.43Å; L299-T303 WeakPolarHBondContact O-CB 3.38Å; L299-T303 PolarHBondContact O-N 3.33Å; L299-T303 PolarHBondContact O-OG1 2.91Å |
| 300 | E | 87 | Confident | 85.4 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 175.2 | -158.5 | -169.4 | 129.8 | 0 | 0 | 111.3 | V296 N297 T303 K304 | V296-E300 PolarHBondContact O-N 2.89Å; N297-E300 PolarHBondContact O-N 2.89Å; E300-T303 WeakPolarHBondContact O-CB 3.36Å; E300-T303 PolarHBondContact O-N 2.92Å; E300-K304 WeakPolarHBondContact O-CG 3.29Å; E300-K304 PolarHBondContact O-N 2.65Å; E300-K304 WeakPolarHBondContact OE1-CE 3.33Å; E300-K304 IonicContact OE1-NZ 3.98Å; E300-K304 PolarHBondContact OE1-NZ 2.94Å |
| 301 | E | 84.5 | Confident | 85 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -42.7 | 172.9 | -73.5 | -167.4 | 155.1 | 0 | 0 | 112.8 | N297 T303 K304 L305 | N297-E301 PolarHBondContact O-N 2.99Å; E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.21Å; E301-K304 PolarHBondContact O-N 3.49Å; E301-L305 WeakPolarHBondContact O-CB 3.44Å; E301-L305 PolarHBondContact O-N 2.73Å |
| 302 | K | 85.1 | Confident | 84.6 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -37.9 | 173 | -76.2 | 164.9 | -174 | 161.9 | 0 | 111.7 | Q298 L299 Q306 | Q298-K302 WeakPolarHBondContact O-CB 3.38Å; Q298-K302 WeakPolarHBondContact O-CD 3.45Å; Q298-K302 WeakPolarHBondContact O-CG 3.4Å; Q298-K302 PolarHBondContact O-N 2.88Å; L299-K302 PolarHBondContact O-N 3.43Å; K302-Q306 WeakPolarHBondContact O-CB 3.36Å; K302-Q306 VanDerWaalsContact O-CG 3.3Å; K302-Q306 WeakPolarHBondContact O-CG 3.45Å; K302-Q306 PolarHBondContact O-N 2.95Å |
| 303 | T | 82.6 | Confident | 84.3 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.1 | -43.1 | 175.6 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | L299 E300 E301 Q306 S307 | L299-T303 WeakPolarHBondContact O-CB 3.38Å; L299-T303 PolarHBondContact O-N 3.33Å; L299-T303 PolarHBondContact O-OG1 2.91Å; E300-T303 WeakPolarHBondContact O-CB 3.36Å; E300-T303 PolarHBondContact O-N 2.92Å; E301-T303 VanDerWaalsContact C-N 3.27Å; E301-T303 PolarHBondContact O-N 3.21Å; T303-Q306 PolarHBondContact O-N 3.49Å; T303-S307 WeakPolarHBondContact O-CB 3.34Å; T303-S307 PolarHBondContact O-N 2.9Å |
| 304 | K | 85.8 | Confident | 83.9 | Confident | 108 Ų | 108 | 98.7 Ų | 98.7 | 47% | 0.47 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.9 | -51.5 | 173.1 | -72.5 | 164.6 | -174.5 | 163.8 | 0 | 111 | E300 E301 Q306 S307 E308 | E300-K304 WeakPolarHBondContact O-CG 3.29Å; E300-K304 PolarHBondContact O-N 2.65Å; E300-K304 WeakPolarHBondContact OE1-CE 3.33Å; E300-K304 IonicContact OE1-NZ 3.98Å; E300-K304 PolarHBondContact OE1-NZ 2.94Å; E301-K304 PolarHBondContact O-N 3.49Å; K304-Q306 VanDerWaalsContact C-N 3.32Å; K304-Q306 PolarHBondContact O-N 2.89Å; K304-S307 PolarHBondContact O-N 3.5Å; K304-S307 PolarHBondContact O-OG 2.96Å; K304-E308 PolarHBondContact O-N 3.49Å |
| 305 | L | 84.2 | Confident | 83.5 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 58% | 0.576 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -38.2 | 178.8 | -167.4 | 73.5 | 0 | 0 | 0 | 112.2 | E301 N309 | E301-L305 WeakPolarHBondContact O-CB 3.44Å; E301-L305 PolarHBondContact O-N 2.73Å; L305-N309 WeakPolarHBondContact O-CB 3.21Å; L305-N309 PolarHBondContact O-N 2.92Å; L305-N309 PolarHBondContact O-ND2 3.25Å |
| 306 | Q | 79.1 | Confident | 83.1 | Confident | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -41.9 | 172.5 | -78 | 179.1 | -14.2 | 0 | 0 | 112.1 | K302 T303 K304 E308 N309 L310 | K302-Q306 WeakPolarHBondContact O-CB 3.36Å; K302-Q306 VanDerWaalsContact O-CG 3.3Å; K302-Q306 WeakPolarHBondContact O-CG 3.45Å; K302-Q306 PolarHBondContact O-N 2.95Å; T303-Q306 PolarHBondContact O-N 3.49Å; K304-Q306 VanDerWaalsContact C-N 3.32Å; K304-Q306 PolarHBondContact O-N 2.89Å; Q306-E308 VanDerWaalsContact C-N 3.33Å; Q306-E308 PolarHBondContact O-N 3.22Å; Q306-N309 PolarHBondContact O-N 3.36Å; Q306-L310 WeakPolarHBondContact O-CB 3.34Å; Q306-L310 PolarHBondContact O-N 3.35Å |
| 307 | S | 78.8 | Confident | 82.7 | Confident | 70 Ų | 70 | 102.4 Ų | 102.4 | 49% | 0.49 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 177.1 | 77 | 0 | 0 | 0 | 0 | 112.7 | T303 K304 L310 K311 | T303-S307 WeakPolarHBondContact O-CB 3.34Å; T303-S307 PolarHBondContact O-N 2.9Å; K304-S307 PolarHBondContact O-N 3.5Å; K304-S307 PolarHBondContact O-OG 2.96Å; S307-L310 WeakPolarHBondContact O-CB 3.33Å; S307-L310 PolarHBondContact O-N 2.77Å; S307-K311 WeakPolarHBondContact O-CB 3.49Å; S307-K311 PolarHBondContact O-N 3.33Å |
| 308 | E | 84.2 | Confident | 82.1 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.1 | -37.3 | 178.1 | -170 | 143.4 | -125.6 | 0 | 0 | 112 | K304 Q306 K311 Q312 | K304-E308 PolarHBondContact O-N 3.49Å; Q306-E308 VanDerWaalsContact C-N 3.33Å; Q306-E308 PolarHBondContact O-N 3.22Å; E308-K311 PolarHBondContact O-N 3.32Å; E308-Q312 WeakPolarHBondContact O-CB 3.36Å; E308-Q312 PolarHBondContact O-N 3.34Å |
| 309 | N | 81.3 | Confident | 81.6 | Confident | 93 Ų | 93 | 106 Ų | 106 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 168.6 | -80 | -59.6 | 0 | 0 | 0 | 112.2 | L305 Q306 Q312 S313 | L305-N309 WeakPolarHBondContact O-CB 3.21Å; L305-N309 PolarHBondContact O-N 2.92Å; L305-N309 PolarHBondContact O-ND2 3.25Å; Q306-N309 PolarHBondContact O-N 3.36Å; N309-Q312 PolarHBondContact O-N 3.05Å; N309-S313 WeakPolarHBondContact O-CB 3.44Å; N309-S313 PolarHBondContact O-N 3.39Å |
| 310 | L | 78.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 106.2 Ų | 106.2 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.5 | -48.3 | 172.7 | -89.1 | 160.9 | 0 | 0 | 0 | 111.3 | Q306 S307 Q312 S313 I314 | Q306-L310 WeakPolarHBondContact O-CB 3.34Å; Q306-L310 PolarHBondContact O-N 3.35Å; S307-L310 WeakPolarHBondContact O-CB 3.33Å; S307-L310 PolarHBondContact O-N 2.77Å; L310-Q312 PolarHBondContact O-N 3.2Å; L310-S313 WeakPolarHBondContact O-CB 3.12Å; L310-S313 PolarHBondContact O-N 3.38Å; L310-S313 VanDerWaalsContact O-N 3.17Å; L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.23Å |
| 311 | K | 84.1 | Confident | 80.7 | Confident | 115 Ų | 115 | 105.5 Ų | 105.5 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 175 | -177.8 | -170.3 | 169.4 | -159.4 | 0 | 111.7 | S307 E308 S313 I314 E315 | S307-K311 WeakPolarHBondContact O-CB 3.49Å; S307-K311 PolarHBondContact O-N 3.33Å; E308-K311 PolarHBondContact O-N 3.32Å; K311-S313 VanDerWaalsContact C-N 3.27Å; K311-S313 PolarHBondContact O-N 3.35Å; K311-I314 WeakPolarHBondContact O-CB 3.33Å; K311-I314 PolarHBondContact O-N 2.99Å; K311-I314 VanDerWaalsContact O-N 3.12Å; K311-E315 WeakPolarHBondContact CE-OE1 3.49Å; K311-E315 IonicContact NZ-OE1 3.37Å; K311-E315 WeakPolarHBondContact O-CG 3.45Å; K311-E315 PolarHBondContact O-N 3.23Å |
| 312 | Q | 80.4 | Confident | 80.5 | Confident | 92 Ų | 92 | 105.9 Ų | 105.9 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -28.7 | 179.1 | -159.1 | -168.4 | 92.5 | 0 | 0 | 112.4 | E308 N309 L310 K316 | E308-Q312 WeakPolarHBondContact O-CB 3.36Å; E308-Q312 PolarHBondContact O-N 3.34Å; N309-Q312 PolarHBondContact O-N 3.05Å; L310-Q312 PolarHBondContact O-N 3.2Å; Q312-K316 WeakPolarHBondContact O-CD 3.36Å; Q312-K316 VanDerWaalsContact O-CG 3.28Å; Q312-K316 WeakPolarHBondContact O-CG 3.45Å; Q312-K316 PolarHBondContact O-N 2.92Å; Q312-K316 VanDerWaalsContact O-N 3.13Å |
| 313 | S | 77.5 | Confident | 80 | Confident | 69 Ų | 69 | 104.5 Ų | 104.5 | 48% | 0.483 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.1 | -37.7 | 171.5 | -166.5 | 0 | 0 | 0 | 0 | 112.3 | N309 L310 K311 K316 Q317 | N309-S313 WeakPolarHBondContact O-CB 3.44Å; N309-S313 PolarHBondContact O-N 3.39Å; L310-S313 WeakPolarHBondContact O-CB 3.12Å; L310-S313 PolarHBondContact O-N 3.38Å; L310-S313 VanDerWaalsContact O-N 3.17Å; K311-S313 VanDerWaalsContact C-N 3.27Å; K311-S313 PolarHBondContact O-N 3.35Å; S313-K316 PolarHBondContact O-N 3.4Å; S313-Q317 PolarHBondContact O-N 3.25Å |
| 314 | I | 80.9 | Confident | 79.8 | Confident | 83 Ų | 83 | 106 Ų | 106 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 174.7 | -69.6 | 161.9 | 0 | 0 | 0 | 110.4 | L310 K311 K316 Q317 H318 | L310-I314 WeakPolarHBondContact O-CG1 3.3Å; L310-I314 PolarHBondContact O-N 3.23Å; K311-I314 WeakPolarHBondContact O-CB 3.33Å; K311-I314 PolarHBondContact O-N 2.99Å; K311-I314 VanDerWaalsContact O-N 3.12Å; I314-K316 PolarHBondContact O-N 3.39Å; I314-Q317 WeakPolarHBondContact O-CB 3.3Å; I314-Q317 PolarHBondContact O-N 2.93Å; I314-H318 PolarHBondContact O-CD2 3.43Å; I314-H318 PolarHBondContact O-N 2.68Å |
| 315 | E | 81.9 | Confident | 79.5 | Confident | 103 Ų | 103 | 104.7 Ų | 104.7 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.7 | -42.5 | 173.8 | -72.3 | 168.3 | 175.1 | 0 | 0 | 111.9 | K311 H318 H319 | K311-E315 WeakPolarHBondContact CE-OE1 3.49Å; K311-E315 IonicContact NZ-OE1 3.37Å; K311-E315 WeakPolarHBondContact O-CG 3.45Å; K311-E315 PolarHBondContact O-N 3.23Å; E315-H318 PolarHBondContact O-N 2.89Å; E315-H319 PolarHBondContact O-N 3.47Å |
| 316 | K | 82.3 | Confident | 79.1 | Confident | 114 Ų | 114 | 103.6 Ų | 103.6 | 50% | 0.496 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -39.2 | 172.7 | -71.5 | 165 | -169.9 | 166.1 | 0 | 112.5 | Q312 S313 I314 H319 L320 | Q312-K316 WeakPolarHBondContact O-CD 3.36Å; Q312-K316 VanDerWaalsContact O-CG 3.28Å; Q312-K316 WeakPolarHBondContact O-CG 3.45Å; Q312-K316 PolarHBondContact O-N 2.92Å; Q312-K316 VanDerWaalsContact O-N 3.13Å; S313-K316 PolarHBondContact O-N 3.4Å; I314-K316 PolarHBondContact O-N 3.39Å; K316-H319 WeakPolarHBondContact O-CB 3.48Å; K316-H319 PolarHBondContact O-N 3.37Å; K316-L320 WeakPolarHBondContact O-CG 3.48Å; K316-L320 PolarHBondContact O-N 3.37Å |
| 317 | Q | 77.1 | Confident | 79 | Confident | 125 Ų | 125 | 103.1 Ų | 103.1 | 58% | 0.584 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 174.9 | -175 | 178.4 | -5.5 | 0 | 0 | 111.6 | S313 I314 T321 | S313-Q317 PolarHBondContact O-N 3.25Å; I314-Q317 WeakPolarHBondContact O-CB 3.3Å; I314-Q317 PolarHBondContact O-N 2.93Å; Q317-T321 WeakPolarHBondContact O-CB 3.38Å; Q317-T321 PolarHBondContact O-N 3.38Å; Q317-T321 PolarHBondContact O-OG1 2.88Å |
| 318 | H | 75.8 | Confident | 79 | Confident | 128 Ų | 128 | 105 Ų | 105 | 59% | 0.593 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 173.9 | -76.9 | -63.2 | 0 | 0 | 0 | 112.8 | I314 E315 T321 K322 | I314-H318 PolarHBondContact O-CD2 3.43Å; I314-H318 PolarHBondContact O-N 2.68Å; E315-H318 PolarHBondContact O-N 2.89Å; H318-T321 PolarHBondContact O-N 3.05Å; H318-K322 PolarHBondContact O-N 2.89Å |
| 319 | H | 77.6 | Confident | 78.5 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 53% | 0.532 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -53.8 | 173.7 | -166.1 | -76.4 | 0 | 0 | 0 | 111.5 | E315 K316 T321 K322 E323 | E315-H319 PolarHBondContact O-N 3.47Å; K316-H319 WeakPolarHBondContact O-CB 3.48Å; K316-H319 PolarHBondContact O-N 3.37Å; H319-T321 VanDerWaalsContact C-N 3.29Å; H319-T321 PolarHBondContact O-N 2.76Å; H319-K322 WeakPolarHBondContact O-CB 3.45Å; H319-K322 PolarHBondContact O-N 3.23Å; H319-E323 IonicContact CE1-OE1 2.72Å; H319-E323 PolarHBondContact CE1-OE1 3.49Å; H319-E323 IonicContact CE1-OE2 2.66Å; H319-E323 PolarHBondContact CE1-OE2 3.13Å; H319-E323 IonicContact CG-OE2 3.93Å; H319-E323 IonicContact ND1-OE1 3.49Å; H319-E323 IonicContact ND1-OE2 3.66Å; H319-E323 PolarHBondContact ND1-OE2 3.49Å; H319-E323 PolarHBondContact O-N 3.3Å |
| 320 | L | 78.1 | Confident | 78.1 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.9 | -36.7 | 178.7 | -69.4 | 167.6 | 0 | 0 | 0 | 112.5 | K316 K322 L324 | K316-L320 WeakPolarHBondContact O-CG 3.48Å; K316-L320 PolarHBondContact O-N 3.37Å; L320-K322 VanDerWaalsContact C-N 3.33Å; L320-L324 VanDerWaalsContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.25Å; L320-L324 PolarHBondContact O-N 3.45Å |
| 321 | T | 74.4 | Confident | 77.9 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 175.6 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | Q317 H318 H319 E325 | Q317-T321 WeakPolarHBondContact O-CB 3.38Å; Q317-T321 PolarHBondContact O-N 3.38Å; Q317-T321 PolarHBondContact O-OG1 2.88Å; H318-T321 PolarHBondContact O-N 3.05Å; H319-T321 VanDerWaalsContact C-N 3.29Å; H319-T321 PolarHBondContact O-N 2.76Å; T321-E325 PolarHBondContact O-N 3.2Å |
| 322 | K | 80.1 | Confident | 77.5 | Confident | 141 Ų | 141 | 101.4 Ų | 101.4 | 61% | 0.613 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.5 | -47.9 | 176.1 | -173.2 | -168.4 | 171 | -166 | 0 | 111.6 | H318 H319 L320 L324 E325 D326 | H318-K322 PolarHBondContact O-N 2.89Å; H319-K322 WeakPolarHBondContact O-CB 3.45Å; H319-K322 PolarHBondContact O-N 3.23Å; L320-K322 VanDerWaalsContact C-N 3.33Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.3Å; K322-E325 PolarHBondContact O-N 2.81Å; K322-E325 VanDerWaalsContact O-N 3.08Å; K322-D326 PolarHBondContact O-N 3.17Å |
| 323 | E | 76.1 | Confident | 77.1 | Confident | 86 Ų | 86 | 104.4 Ų | 104.4 | 40% | 0.402 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 177.6 | -70.4 | 172.9 | 119.7 | 0 | 0 | 111.8 | H319 E325 D326 I327 | H319-E323 IonicContact CE1-OE1 2.72Å; H319-E323 PolarHBondContact CE1-OE1 3.49Å; H319-E323 IonicContact CE1-OE2 2.66Å; H319-E323 PolarHBondContact CE1-OE2 3.13Å; H319-E323 IonicContact CG-OE2 3.93Å; H319-E323 IonicContact ND1-OE1 3.49Å; H319-E323 IonicContact ND1-OE2 3.66Å; H319-E323 PolarHBondContact ND1-OE2 3.49Å; H319-E323 PolarHBondContact O-N 3.3Å; E323-E325 VanDerWaalsContact C-N 3.33Å; E323-E325 PolarHBondContact O-N 3.3Å; E323-D326 PolarHBondContact O-N 2.92Å; E323-I327 WeakPolarHBondContact O-CB 3.33Å; E323-I327 VanDerWaalsContact O-CG1 3.26Å; E323-I327 WeakPolarHBondContact O-CG1 3.35Å; E323-I327 PolarHBondContact O-N 3.46Å |
| 324 | L | 76.6 | Confident | 76.7 | Confident | 115 Ų | 115 | 103.8 Ų | 103.8 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -36.5 | 176 | -173.2 | 145.4 | 0 | 0 | 0 | 112.3 | L320 K322 K328 | L320-L324 VanDerWaalsContact O-CB 3.32Å; L320-L324 WeakPolarHBondContact O-CB 3.25Å; L320-L324 PolarHBondContact O-N 3.45Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.3Å; L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 PolarHBondContact O-N 2.82Å |
| 325 | E | 79.8 | Confident | 76.3 | Confident | 81 Ų | 81 | 103.4 Ų | 103.4 | 38% | 0.379 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -72.4 | -40 | 175 | -166.8 | 60 | -144.3 | 0 | 0 | 112.2 | T321 K322 E323 I327 K328 V329 | T321-E325 PolarHBondContact O-N 3.2Å; K322-E325 PolarHBondContact O-N 2.81Å; K322-E325 VanDerWaalsContact O-N 3.08Å; E323-E325 VanDerWaalsContact C-N 3.33Å; E323-E325 PolarHBondContact O-N 3.3Å; E325-I327 VanDerWaalsContact C-N 3.35Å; E325-I327 PolarHBondContact O-N 2.83Å; E325-K328 WeakPolarHBondContact O-CB 3.34Å; E325-K328 PolarHBondContact O-N 2.88Å; E325-K328 IonicContact OE1-NZ 2.63Å; E325-K328 PolarHBondContact OE1-NZ 2.96Å; E325-K328 IonicContact OE2-NZ 2.67Å; E325-K328 PolarHBondContact OE2-NZ 3.02Å; E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 3.41Å |
| 326 | D | 76.4 | Confident | 75.7 | Confident | 88 Ų | 88 | 102 Ų | 102 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.1 | -78 | -36.7 | 0 | 0 | 0 | 111.8 | K322 E323 S330 | K322-D326 PolarHBondContact O-N 3.17Å; E323-D326 PolarHBondContact O-N 2.92Å; D326-S330 WeakPolarHBondContact O-CB 3.46Å; D326-S330 PolarHBondContact O-N 3.34Å; D326-S330 PolarHBondContact O-OG 3.12Å |
| 327 | I | 77.5 | Confident | 74.9 | Confident | 119 Ų | 119 | 100.7 Ų | 100.7 | 61% | 0.61 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -44.5 | 171.4 | -70 | 166 | 0 | 0 | 0 | 110.9 | E323 E325 S330 L331 | E323-I327 WeakPolarHBondContact O-CB 3.33Å; E323-I327 VanDerWaalsContact O-CG1 3.26Å; E323-I327 WeakPolarHBondContact O-CG1 3.35Å; E323-I327 PolarHBondContact O-N 3.46Å; E325-I327 VanDerWaalsContact C-N 3.35Å; E325-I327 PolarHBondContact O-N 2.83Å; I327-S330 WeakPolarHBondContact O-CB 3.39Å; I327-S330 PolarHBondContact O-N 3.17Å; I327-S330 VanDerWaalsContact O-N 3.14Å; I327-L331 PolarHBondContact O-N 3.27Å |
| 328 | K | 77.6 | Confident | 74.4 | Confident | 109 Ų | 109 | 100.8 Ų | 100.8 | 47% | 0.474 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 178.2 | 167.8 | 165.4 | 160.6 | -89.4 | 0 | 112.4 | L324 E325 S330 L331 Q332 | L324-K328 WeakPolarHBondContact O-CB 3.38Å; L324-K328 PolarHBondContact O-N 2.82Å; E325-K328 WeakPolarHBondContact O-CB 3.34Å; E325-K328 PolarHBondContact O-N 2.88Å; E325-K328 IonicContact OE1-NZ 2.63Å; E325-K328 PolarHBondContact OE1-NZ 2.96Å; E325-K328 IonicContact OE2-NZ 2.67Å; E325-K328 PolarHBondContact OE2-NZ 3.02Å; K328-S330 VanDerWaalsContact C-N 3.32Å; K328-L331 PolarHBondContact O-N 2.85Å; K328-Q332 WeakPolarHBondContact O-CB 2.73Å; K328-Q332 PolarHBondContact O-N 3.17Å |
| 329 | V | 74.2 | Confident | 74.2 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 38% | 0.376 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 172.6 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | E325 R333 | E325-V329 WeakPolarHBondContact O-CG2 3.35Å; E325-V329 PolarHBondContact O-N 3.41Å; V329-R333 PolarHBondContact O-N 2.97Å; V329-R333 VanDerWaalsContact O-N 3.13Å |
| 330 | S | 72.9 | Confident | 73.7 | Confident | 63 Ų | 63 | 98.3 Ų | 98.3 | 44% | 0.441 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.9 | -40.8 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 112.3 | D326 I327 K328 R333 S334 | D326-S330 WeakPolarHBondContact O-CB 3.46Å; D326-S330 PolarHBondContact O-N 3.34Å; D326-S330 PolarHBondContact O-OG 3.12Å; I327-S330 WeakPolarHBondContact O-CB 3.39Å; I327-S330 PolarHBondContact O-N 3.17Å; I327-S330 VanDerWaalsContact O-N 3.14Å; K328-S330 VanDerWaalsContact C-N 3.32Å; S330-R333 WeakPolarHBondContact O-CB 3.2Å; S330-R333 PolarHBondContact O-N 3.11Å; S330-S334 PolarHBondContact O-N 2.92Å |
| 331 | L | 73.9 | Confident | 73.3 | Confident | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -41 | 174.1 | -176.6 | 64.3 | 0 | 0 | 0 | 112.2 | I327 K328 R333 S334 V335 | I327-L331 PolarHBondContact O-N 3.27Å; K328-L331 PolarHBondContact O-N 2.85Å; L331-R333 PolarHBondContact O-N 3.11Å; L331-S334 PolarHBondContact O-N 2.95Å; L331-S334 PolarHBondContact O-OG 3.46Å; L331-V335 WeakPolarHBondContact O-CG2 3.34Å; L331-V335 PolarHBondContact O-N 3.49Å |
| 332 | Q | 76.1 | Confident | 73.2 | Confident | 133 Ų | 133 | 100.6 Ų | 100.6 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.6 | -37.2 | 173.5 | -170.6 | 69.6 | 21.4 | 0 | 0 | 111.5 | K328 S336 | K328-Q332 WeakPolarHBondContact O-CB 2.73Å; K328-Q332 PolarHBondContact O-N 3.17Å; Q332-S336 PolarHBondContact O-N 2.91Å; Q332-S336 PolarHBondContact O-OG 2.97Å |
| 333 | R | 73.5 | Confident | 72.7 | Confident | 156 Ų | 156 | 99.4 Ų | 99.4 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.2 | -42.7 | 177.5 | -164 | 179.5 | -63.8 | 133 | 2.7 | 112 | V329 S330 L331 S336 T337 | V329-R333 PolarHBondContact O-N 2.97Å; V329-R333 VanDerWaalsContact O-N 3.13Å; S330-R333 WeakPolarHBondContact O-CB 3.2Å; S330-R333 PolarHBondContact O-N 3.11Å; L331-R333 PolarHBondContact O-N 3.11Å; R333-S336 WeakPolarHBondContact O-CB 2.95Å; R333-S336 PolarHBondContact O-N 3.48Å; R333-T337 PolarHBondContact O-N 3.41Å; R333-T337 VanDerWaalsContact O-N 3.13Å; R333-T337 PolarHBondContact O-OG1 3.29Å |
| 334 | S | 68.6 | Low | 72.2 | Confident | 55 Ų | 55 | 100.1 Ų | 100.1 | 39% | 0.385 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | -38.4 | 178.4 | 62.9 | 0 | 0 | 0 | 0 | 113 | S330 L331 S336 T337 Q338 | S330-S334 PolarHBondContact O-N 2.92Å; L331-S334 PolarHBondContact O-N 2.95Å; L331-S334 PolarHBondContact O-OG 3.46Å; S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 2.96Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-N 3.34Å; S334-T337 PolarHBondContact O-OG1 3.4Å; S334-Q338 WeakPolarHBondContact O-CB 3.47Å; S334-Q338 PolarHBondContact O-N 2.78Å |
| 335 | V | 71.3 | Confident | 71.8 | Confident | 76 Ų | 76 | 100.2 Ų | 100.2 | 46% | 0.461 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L331 Q338 K339 | L331-V335 WeakPolarHBondContact O-CG2 3.34Å; L331-V335 PolarHBondContact O-N 3.49Å; V335-Q338 PolarHBondContact O-N 3.17Å; V335-K339 PolarHBondContact O-N 2.89Å |
| 336 | S | 69 | Low | 71.2 | Confident | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 176 | -56 | 0 | 0 | 0 | 0 | 112.3 | Q332 R333 S334 | Q332-S336 PolarHBondContact O-N 2.91Å; Q332-S336 PolarHBondContact O-OG 2.97Å; R333-S336 WeakPolarHBondContact O-CB 2.95Å; R333-S336 PolarHBondContact O-N 3.48Å; S334-S336 VanDerWaalsContact C-N 3.26Å; S334-S336 PolarHBondContact O-N 2.96Å |
| 337 | T | 67.5 | Low | 70.8 | Confident | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.534 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.8 | -33.2 | 175.5 | 47.9 | 0 | 0 | 0 | 0 | 113.4 | R333 S334 K339 A340 L341 | R333-T337 PolarHBondContact O-N 3.41Å; R333-T337 VanDerWaalsContact O-N 3.13Å; R333-T337 PolarHBondContact O-OG1 3.29Å; S334-T337 WeakPolarHBondContact CA-OG1 3.33Å; S334-T337 PolarHBondContact O-N 3.34Å; S334-T337 PolarHBondContact O-OG1 3.4Å; T337-K339 VanDerWaalsContact C-N 3.31Å; T337-K339 PolarHBondContact O-N 2.88Å; T337-A340 PolarHBondContact O-N 3.41Å; T337-L341 PolarHBondContact O-N 2.94Å |
| 338 | Q | 65.8 | Low | 69.9 | Low | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.4 | -39.3 | 176.7 | -175.7 | 174.5 | -2.7 | 0 | 0 | 111.3 | S334 V335 A340 L341 E342 | S334-Q338 WeakPolarHBondContact O-CB 3.47Å; S334-Q338 PolarHBondContact O-N 2.78Å; V335-Q338 PolarHBondContact O-N 3.17Å; Q338-A340 PolarHBondContact O-N 3.43Å; Q338-L341 PolarHBondContact O-N 2.83Å; Q338-E342 PolarHBondContact O-N 3.04Å |
| 339 | K | 70.6 | Confident | 69.3 | Low | 139 Ų | 139 | 99.7 Ų | 99.7 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.6 | -36.7 | -179.8 | -164.9 | 176.6 | 178.7 | -173.9 | 0 | 113.4 | V335 T337 E342 E343 | V335-K339 PolarHBondContact O-N 2.89Å; T337-K339 VanDerWaalsContact C-N 3.31Å; T337-K339 PolarHBondContact O-N 2.88Å; K339-E342 PolarHBondContact O-N 3.11Å; K339-E343 PolarHBondContact O-N 3.37Å |
| 340 | A | 67.7 | Low | 68.9 | Low | 51 Ų | 51 | 104.8 Ų | 104.8 | 42% | 0.421 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T337 Q338 E342 E343 D344 | T337-A340 PolarHBondContact O-N 3.41Å; Q338-A340 PolarHBondContact O-N 3.43Å; A340-E342 PolarHBondContact O-N 3.18Å; A340-E343 PolarHBondContact O-N 2.97Å; A340-D344 PolarHBondContact O-N 2.86Å; A340-D344 VanDerWaalsContact O-N 3.14Å |
| 341 | L | 69.4 | Low | 68.1 | Low | 121 Ų | 121 | 105.8 Ų | 105.8 | 63% | 0.634 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.1 | -28.3 | 178.5 | -73.5 | 166.6 | 0 | 0 | 0 | 113.2 | T337 Q338 L345 | T337-L341 PolarHBondContact O-N 2.94Å; Q338-L341 PolarHBondContact O-N 2.83Å; L341-L345 WeakPolarHBondContact O-CB 3.19Å; L341-L345 PolarHBondContact O-N 2.86Å |
| 342 | E | 72.1 | Confident | 67.5 | Low | 123 Ų | 123 | 106.1 Ų | 106.1 | 58% | 0.575 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -77.6 | -30.6 | 177 | -164.7 | 166.3 | 174.7 | 0 | 0 | 112.3 | Q338 K339 A340 Q346 | Q338-E342 PolarHBondContact O-N 3.04Å; K339-E342 PolarHBondContact O-N 3.11Å; A340-E342 PolarHBondContact O-N 3.18Å; E342-Q346 PolarHBondContact O-N 3.23Å |
| 343 | E | 69.3 | Low | 66.3 | Low | 115 Ų | 115 | 104 Ų | 104 | 54% | 0.537 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.6 | -43.1 | 172.3 | -69.7 | 173.3 | -168.8 | 0 | 0 | 111.2 | K339 A340 L345 Q346 I347 | K339-E343 PolarHBondContact O-N 3.37Å; A340-E343 PolarHBondContact O-N 2.97Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 2.69Å; E343-Q346 PolarHBondContact O-N 3.04Å; E343-I347 WeakPolarHBondContact O-CG1 3.34Å; E343-I347 PolarHBondContact O-N 3.17Å |
| 344 | D | 65.9 | Low | 65.3 | Low | 102 Ų | 102 | 104 Ų | 104 | 55% | 0.545 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -60.9 | -37.9 | 174 | -76.9 | -31.4 | 0 | 0 | 0 | 112.9 | A340 I347 A348 | A340-D344 PolarHBondContact O-N 2.86Å; A340-D344 VanDerWaalsContact O-N 3.14Å; D344-I347 WeakPolarHBondContact O-CB 3.39Å; D344-I347 PolarHBondContact O-N 3.26Å; D344-A348 PolarHBondContact O-N 2.66Å |
| 345 | L | 68.5 | Low | 64.6 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70 | -33.7 | -177.9 | -148.7 | 158.2 | 0 | 0 | 0 | 111.8 | L341 E343 I347 T349 | L341-L345 WeakPolarHBondContact O-CB 3.19Å; L341-L345 PolarHBondContact O-N 2.86Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 2.69Å; L345-I347 VanDerWaalsContact C-N 3.34Å; L345-T349 WeakPolarHBondContact O-CB 3.28Å; L345-T349 PolarHBondContact O-N 2.94Å; L345-T349 VanDerWaalsContact O-N 3.16Å; L345-T349 PolarHBondContact O-OG1 3.31Å |
| 346 | Q | 66.6 | Low | 63.7 | Low | 142 Ų | 142 | 107.7 Ų | 107.7 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.6 | -35.6 | 170.1 | -70.9 | -166.3 | 9.5 | 0 | 0 | 112.7 | E342 E343 K350 | E342-Q346 PolarHBondContact O-N 3.23Å; E343-Q346 PolarHBondContact O-N 3.04Å; Q346-K350 PolarHBondContact O-N 2.98Å |
| 347 | I | 68.5 | Low | 62.7 | Low | 110 Ų | 110 | 111.9 Ų | 111.9 | 56% | 0.564 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66 | -50.1 | 177.3 | -65.3 | 167.8 | 0 | 0 | 0 | 110.1 | E343 D344 L345 T349 K350 T351 | E343-I347 WeakPolarHBondContact O-CG1 3.34Å; E343-I347 PolarHBondContact O-N 3.17Å; D344-I347 WeakPolarHBondContact O-CB 3.39Å; D344-I347 PolarHBondContact O-N 3.26Å; L345-I347 VanDerWaalsContact C-N 3.34Å; I347-T349 VanDerWaalsContact C-N 3.32Å; I347-T349 PolarHBondContact O-N 3Å; I347-K350 WeakPolarHBondContact O-CB 3.41Å; I347-K350 PolarHBondContact O-N 3.5Å; I347-K350 VanDerWaalsContact O-N 3.14Å; I347-T351 PolarHBondContact O-OG1 2.77Å |
| 348 | A | 59.3 | Low | 61.8 | Low | 55 Ų | 55 | 115.4 Ų | 115.4 | 46% | 0.455 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -58.7 | -41.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | D344 K350 T351 | D344-A348 PolarHBondContact O-N 2.66Å; A348-K350 PolarHBondContact O-N 3.14Å; A348-T351 PolarHBondContact O-N 3.3Å |
| 349 | T | 65.4 | Low | 61.1 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -32.1 | 179.1 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | L345 I347 | L345-T349 WeakPolarHBondContact O-CB 3.28Å; L345-T349 PolarHBondContact O-N 2.94Å; L345-T349 VanDerWaalsContact O-N 3.16Å; L345-T349 PolarHBondContact O-OG1 3.31Å; I347-T349 VanDerWaalsContact C-N 3.32Å; I347-T349 PolarHBondContact O-N 3Å |
| 350 | K | 65.6 | Low | 60 | Low | 169 Ų | 169 | 117.6 Ų | 117.6 | 74% | 0.735 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -75 | -31 | -176.2 | -152.7 | 169.4 | -171.9 | 173.6 | 0 | 113.3 | Q346 I347 A348 | Q346-K350 PolarHBondContact O-N 2.98Å; I347-K350 WeakPolarHBondContact O-CB 3.41Å; I347-K350 PolarHBondContact O-N 3.5Å; I347-K350 VanDerWaalsContact O-N 3.14Å; A348-K350 PolarHBondContact O-N 3.14Å |
| 351 | T | 56.6 | Low | 58.9 | Low | 83 Ų | 83 | 121.2 Ų | 121.2 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.9 | -31.6 | -179.8 | -44 | 0 | 0 | 0 | 0 | 112.6 | I347 A348 C353 Q354 | I347-T351 PolarHBondContact O-OG1 2.77Å; A348-T351 PolarHBondContact O-N 3.3Å; T351-C353 VanDerWaalsContact C-N 3.29Å; T351-C353 PolarHBondContact O-N 3.23Å; T351-Q354 PolarHBondContact O-N 2.85Å |
| 352 | I | 60.9 | Low | 57.6 | Low | 116 Ų | 116 | 123.1 Ų | 123.1 | 60% | 0.595 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.6 | -35 | -178.1 | -67.8 | 170 | 0 | 0 | 0 | 111.5 | Q354 L355 | I352-Q354 PolarHBondContact O-N 3.47Å; I352-Q354 VanDerWaalsContact O-N 3.12Å; I352-L355 PolarHBondContact O-N 2.96Å |
| 353 | C | 50.6 | Low | 56 | Low | 89 Ų | 89 | 124.5 Ų | 124.5 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -8.1 | -175.9 | -61.1 | 0 | 0 | 0 | 0 | 114.8 | T351 | T351-C353 VanDerWaalsContact C-N 3.29Å; T351-C353 PolarHBondContact O-N 3.23Å |
| 354 | Q | 52.1 | Low | 54.9 | Low | 154 Ų | 154 | 127.4 Ų | 127.4 | 72% | 0.72 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -10.9 | -179.7 | -66.4 | -172.7 | -43.8 | 0 | 0 | 114.1 | T351 I352 | T351-Q354 PolarHBondContact O-N 2.85Å; I352-Q354 PolarHBondContact O-N 3.47Å; I352-Q354 VanDerWaalsContact O-N 3.12Å |
| 355 | L | 53.8 | Low | 53.6 | Low | 123 Ų | 123 | 131.4 Ų | 131.4 | 64% | 0.644 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -103.8 | -4.4 | -177.3 | -72.8 | 167.6 | 0 | 0 | 0 | 113.6 | I352 | I352-L355 PolarHBondContact O-N 2.96Š|
| 356 | T | 53.1 | Low | 52 | Low | 87 Ų | 87 | 131.3 Ų | 131.3 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -78.4 | -38.3 | 179.9 | -44.2 | 0 | 0 | 0 | 0 | 112.2 | E358 | T356-E358 VanDerWaalsContact C-N 3.28Å; T356-E358 PolarHBondContact O-N 2.93Å |
| 357 | E | 46.8 | Very low | 50.4 | Low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -24.5 | -173.9 | -59.7 | -174.7 | 143.3 | 0 | 0 | 113.7 | ||
| 358 | E | 48.8 | Very low | 48.5 | Very low | 161 Ų | 161 | 135.3 Ų | 135.3 | 75% | 0.752 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -10.3 | -172.4 | -158.5 | 171.7 | -136.1 | 0 | 0 | 113.9 | T356 | T356-E358 VanDerWaalsContact C-N 3.28Å; T356-E358 PolarHBondContact O-N 2.93Å |
| 359 | K | 52.4 | Low | 47 | Very low | 154 Ų | 154 | 137.5 Ų | 137.5 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -102.7 | -13.3 | -174.7 | -103.3 | -69.7 | 170.5 | -166.3 | 0 | 115.8 | ||
| 360 | E | 47.1 | Very low | 45.5 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -87 | -15.5 | -167.5 | -158.9 | 151.9 | -147.6 | 0 | 0 | 113.7 | ||
| 361 | T | 45.1 | Very low | 43.6 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -86.8 | -3.5 | -173.6 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 362 | Q | 40.9 | Very low | 42.2 | Very low | 161 Ų | 161 | 141 Ų | 141 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -110.3 | 6.3 | -173.5 | -147 | -174.2 | 17.1 | 0 | 0 | 115 | ||
| 363 | M | 39 | Very low | 40.7 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -101.5 | -10.7 | -172.8 | -158.1 | 167.4 | -67.6 | 0 | 0 | 115 | E365 | M363-E365 PolarHBondContact O-N 3.37Š|
| 364 | E | 46.7 | Very low | 40 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -71.3 | -25.1 | -172 | -159.4 | 63.1 | -152.4 | 0 | 0 | 114.1 | ||
| 365 | E | 37 | Very low | 39 | Very low | 186 Ų | 186 | 146 Ų | 146 | 87% | 0.869 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -81.2 | -22.2 | -160.2 | -164.1 | 166.4 | -145.9 | 0 | 0 | 115.3 | M363 | M363-E365 PolarHBondContact O-N 3.37Š|
| 366 | S | 35.8 | Very low | 38 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -90.2 | -12.3 | -166.1 | -152.1 | 0 | 0 | 0 | 0 | 115.6 | K368 | S366-K368 PolarHBondContact O-N 3.12Š|
| 367 | N | 33.2 | Very low | 37.9 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 7.9 | -165.4 | -97.1 | -50.5 | 0 | 0 | 0 | 116.6 | ||
| 368 | K | 29 | Very low | 37.5 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.896 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 26.8 | -167.1 | -141 | 171.7 | -174.8 | 173.8 | 0 | 118.2 | S366 | S366-K368 PolarHBondContact O-N 3.12Š|
| 369 | A | 27.3 | Very low | 36.8 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | trans | -124.5 | 70.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 370 | R | 34.1 | Very low | 35.9 | Very low | 223 Ų | 223 | 142.5 Ų | 142.5 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | trans | -130.4 | 57.7 | -172.6 | -179.6 | 163.7 | 43.7 | 121.1 | -6.6 | 112.6 | ||||
| 371 | A | 25.4 | Very low | 35.2 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -164.5 | 154.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 372 | A | 27.3 | Very low | 34.7 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 64.3 | 123.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 373 | H | 30.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | cis | -141.3 | 157.3 | -9.8 | -74.3 | -83.6 | 0 | 0 | 0 | 107.9 | ||||
| 374 | S | 35.2 | Very low | 35.2 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | cis | 79.6 | 38.4 | 16.3 | -161.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 375 | F | 30.6 | Very low | 34.9 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | trans | -168.5 | 109.2 | 162.1 | -163.5 | -96.1 | 0 | 0 | 0 | 106.7 | ||||
| 376 | V | 33 | Very low | 34.3 | Very low | 92 Ų | 92 | 129.5 Ų | 129.5 | 56% | 0.558 | 73% | 0.727 | S | S | * | * | cis | -134 | 124.5 | 14.9 | 176.3 | 0 | 0 | 0 | 0 | 106.2 | E379 | V376-E379 HydrophobicContact CG1-CB 4.44Š| ||
| 377 | V | 51 | Low | 34.2 | Very low | 90 Ų | 90 | 131.6 Ų | 131.6 | 55% | 0.545 | 73% | 0.728 | S | S | . | * | cis | 72 | 87.3 | 25.6 | -167.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 378 | T | 38.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 70.8 | 23.1 | 149.2 | 64.5 | 0 | 0 | 0 | 0 | 121.3 | ||
| 379 | E | 33.6 | Very low | 34.7 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -91.3 | -19.6 | 179.4 | -155.3 | 160.4 | -138.1 | 0 | 0 | 116.1 | V376 | V376-E379 HydrophobicContact CG1-CB 4.44Š|
| 380 | F | 33.1 | Very low | 35.1 | Very low | 170 Ų | 170 | 134.9 Ų | 134.9 | 75% | 0.746 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -131.6 | 36.7 | -178 | -71.7 | -69.9 | 0 | 0 | 0 | 115.8 | T382 | F380-T382 VanDerWaalsContact C-N 3.31Š|
| 381 | E | 34 | Very low | 35.5 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -95.7 | 17.3 | 167.7 | -155 | 159.9 | -149.5 | 0 | 0 | 112.2 | V384 | E381-V384 WeakPolarHBondContact O-CG2 3.47Š|
| 382 | T | 33.5 | Very low | 35.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -112.7 | -0.2 | -172.4 | 46.3 | 0 | 0 | 0 | 0 | 114.7 | F380 | F380-T382 VanDerWaalsContact C-N 3.31Š|
| 383 | T | 42.2 | Very low | 36.2 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 56% | 0.564 | 73% | 0.731 | S | S | * | * | trans | -146.6 | 58.6 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 384 | V | 48.2 | Very low | 36.4 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 64% | 0.642 | 72% | 0.717 | S | S | * | * | 46 | 94.3 | 54.7 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | E381 | E381-V384 WeakPolarHBondContact O-CG2 3.47Š| |||
| 385 | C | 40.8 | Very low | 36.2 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 92% | 0.919 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 66.5 | 38.2 | 158.5 | -57.6 | 0 | 0 | 0 | 0 | 119 | ||
| 386 | S | 23.9 | Very low | 36.2 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 60% | 0.601 | 72% | 0.717 | S | S | * | * | trans | -141.5 | 124.1 | 157.6 | 68.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 387 | L | 35.3 | Very low | 36.2 | Very low | 157 Ų | 157 | 142.6 Ų | 142.6 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | 63.9 | 97 | 164.2 | -49 | 178.7 | 0 | 0 | 0 | 113.7 | ||||
| 388 | E | 38.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 145.6 Ų | 145.6 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | cis | 56.2 | 118.8 | 32 | -147.7 | 169.8 | -140.2 | 0 | 0 | 111.1 | ||||
| 389 | E | 33.2 | Very low | 35.4 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | 64.9 | 89.4 | -171.2 | -54.5 | -161.2 | 116.3 | 0 | 0 | 117.8 | ||||
| 390 | L | 35.9 | Very low | 35.8 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | trans | 169.8 | 99.6 | 131.5 | -91.7 | 166 | 0 | 0 | 0 | 107 | ||||
| 391 | L | 43.5 | Very low | 36.1 | Very low | 159 Ų | 159 | 145.8 Ų | 145.8 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | cis | 55.3 | 52.7 | 27.9 | -161.2 | 73.5 | 0 | 0 | 0 | 114 | ||||
| 392 | R | 33.3 | Very low | 36.5 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | -176.5 | 150.8 | 135 | -103.9 | 173.1 | -70.6 | 170.8 | -2.9 | 109.2 | ||||
| 393 | T | 33.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 72.7 | 128 | -165.5 | 70.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 394 | E | 33.5 | Very low | 36.2 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 51% | 0.514 | 74% | 0.736 | S | S | . | * | cis | -146.2 | 138.1 | -20.3 | -95.7 | -51.9 | 86.1 | 0 | 0 | 105.3 | Q396 | E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 HydrophobicContact CB-CB 4.33Å; E394-Q396 HydrophobicContact CG-CB 4.33Å; E394-Q396 WeakPolarHBondContact OE2-CB 3.44Å; E394-Q396 WeakPolarHBondContact OE2-CG 3.28Å; E394-Q396 PolarHBondContact OE2-N 3.17Å; E394-Q396 PolarHBondContact OE2-NE2 3.49Å | ||
| 395 | Q | 32.1 | Very low | 36.3 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | cis | 70.5 | 1.3 | 14.7 | -148.4 | 151.5 | 17.3 | 0 | 0 | 117 | ||||
| 396 | Q | 29.7 | Very low | 36 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 67% | 0.668 | 74% | 0.741 | S | S | * | * | trans | -140.8 | 139 | 153.4 | -88.3 | -178.6 | 46.9 | 0 | 0 | 105.6 | E394 | E394-Q396 VanDerWaalsContact C-N 3.26Å; E394-Q396 HydrophobicContact CB-CB 4.33Å; E394-Q396 HydrophobicContact CG-CB 4.33Å; E394-Q396 WeakPolarHBondContact OE2-CB 3.44Å; E394-Q396 WeakPolarHBondContact OE2-CG 3.28Å; E394-Q396 PolarHBondContact OE2-N 3.17Å; E394-Q396 PolarHBondContact OE2-NE2 3.49Å | ||
| 397 | R | 33.6 | Very low | 36.8 | Very low | 198 Ų | 198 | 157 Ų | 157 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | cis | -162.6 | 126.6 | 9.1 | -169.5 | -179.4 | 69.8 | -148.9 | -1.4 | 105.2 | E399 | R397-E399 HydrophobicContact CG-CB 3.89Š| ||
| 398 | L | 39.2 | Very low | 36.7 | Very low | 152 Ų | 152 | 154 Ų | 154 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | cis | 46.5 | 67.6 | 21.8 | -137.1 | 165 | 0 | 0 | 0 | 114.1 | E402 | L398-E402 VanDerWaalsContact CD2-OE1 3.26Å; L398-E402 WeakPolarHBondContact CD2-OE1 3.49Å | ||
| 399 | E | 32.8 | Very low | 36.6 | Very low | 138 Ų | 138 | 151.3 Ų | 151.3 | 65% | 0.645 | 73% | 0.733 | S | S | * | * | trans | -162 | 116.5 | 142.5 | -154.3 | -179.8 | 177.4 | 0 | 0 | 108.9 | R397 | R397-E399 HydrophobicContact CG-CB 3.89Š| ||
| 400 | K | 41.6 | Very low | 37.4 | Very low | 166 Ų | 166 | 149 Ų | 149 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | S | Bend | trans | 77.4 | 135.1 | 178.2 | -51.6 | 177.8 | -177 | 175.6 | 0 | 116.9 | E402 | K400-E402 WeakPolarHBondContact CA-OE2 3.46Å; K400-E402 PolarHBondContact N-OE2 2.96Å |
| 401 | N | 40 | Very low | 37.6 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | cis | -148 | 113.7 | -13.1 | -123.3 | 109.5 | 0 | 0 | 0 | 107.9 | ||||
| 402 | E | 42.4 | Very low | 38 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 59% | 0.593 | 73% | 0.725 | S | S | * | * | cis | 108 | 2.1 | 9.5 | -146.6 | 151.2 | -132.5 | 0 | 0 | 114.9 | L398 K400 | L398-E402 VanDerWaalsContact CD2-OE1 3.26Å; L398-E402 WeakPolarHBondContact CD2-OE1 3.49Å; K400-E402 WeakPolarHBondContact CA-OE2 3.46Å; K400-E402 PolarHBondContact N-OE2 2.96Å | ||
| 403 | D | 34.7 | Very low | 38.1 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | trans | -143 | 129 | 171.6 | -107 | -39.2 | 0 | 0 | 0 | 107.9 | ||||
| 404 | Q | 34.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | cis | -138 | 123.9 | -3.7 | -76.3 | -177.9 | -3.9 | 0 | 0 | 112.1 | ||||
| 405 | L | 49.8 | Very low | 38.3 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 92% | 0.921 | 73% | 0.726 | S | S | * | * | trans | -113.3 | 62.4 | 169.7 | -168 | 120.9 | 0 | 0 | 0 | 109.7 | ||||
| 406 | K | 35.6 | Very low | 38.7 | Very low | 171 Ų | 171 | 147.9 Ų | 147.9 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | -148 | 22.4 | -174.8 | -135.8 | 170.2 | -174.2 | 173.5 | 0 | 117.2 | L408 | K406-L408 WeakPolarHBondContact O-CB 3.22Š| ||
| 407 | I | 39.3 | Very low | 38.9 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 86% | 0.856 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -130 | 51.6 | 160.5 | -47.1 | 178.1 | 0 | 0 | 0 | 107 | ||
| 408 | L | 33.8 | Very low | 39.5 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 50% | 0.503 | 70% | 0.701 | S | S | . | * | 67.2 | 98.2 | 65 | -165.8 | 86.9 | 0 | 0 | 0 | 112.2 | K406 M410 | K406-L408 WeakPolarHBondContact O-CB 3.22Å; L408-M410 HydrophobicContact CD2-CG 4.11Å; L408-M410 HydrophobicContact CD2-SD 4.17Å; L408-M410 PolarHBondContact O-N 3.21Å | |||
| 409 | T | 35.2 | Very low | 39.7 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | S | Bend | 37.7 | 20.1 | 114.6 | -23.1 | 0 | 0 | 0 | 0 | 120.2 | |||
| 410 | M | 50.6 | Low | 40 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | trans | -132.3 | 8.2 | -180 | -76.5 | -164.7 | 70.7 | 0 | 0 | 114.1 | L408 | L408-M410 HydrophobicContact CD2-CG 4.11Å; L408-M410 HydrophobicContact CD2-SD 4.17Å; L408-M410 PolarHBondContact O-N 3.21Å | ||
| 411 | E | 40.8 | Very low | 39.9 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -89.1 | 7.2 | 159.9 | -151.3 | 156.7 | -130.6 | 0 | 0 | 112.6 | Q413 | E411-Q413 PolarHBondContact O-N 2.72Š|
| 412 | L | 51.7 | Low | 39.4 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.6 | -14.2 | 165.9 | -174.3 | 66.1 | 0 | 0 | 0 | 113.6 | ||
| 413 | Q | 36.2 | Very low | 39.2 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.4 | 27.9 | -143.6 | -135.3 | 166.9 | -9.8 | 0 | 0 | 115.6 | E411 | E411-Q413 PolarHBondContact O-N 2.72Š|
| 414 | K | 33.2 | Very low | 39.4 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -137 | 5.5 | -178.4 | -143.7 | -172.5 | 175.6 | -177.2 | 0 | 118.1 | ||
| 415 | K | 38.1 | Very low | 39.4 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 68% | 0.678 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -130.5 | 20.1 | 168.1 | -102.1 | -68.7 | 155.5 | -163.3 | 0 | 114.8 | S417 | K415-S417 PolarHBondContact NZ-O 3.08Å; K415-S417 PolarHBondContact O-N 3.37Å |
| 416 | S | 40.3 | Very low | 38.4 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -73.4 | 33.3 | 159.1 | 59.2 | 0 | 0 | 0 | 0 | 112 | ||
| 417 | S | 32.3 | Very low | 38.7 | Very low | 46 Ų | 46 | 137.2 Ų | 137.2 | 32% | 0.322 | 70% | 0.7 | S | S | . | * | trans | -156.4 | 126.1 | -172.7 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | K415 | K415-S417 PolarHBondContact NZ-O 3.08Å; K415-S417 PolarHBondContact O-N 3.37Å | ||
| 418 | E | 48 | Very low | 38.7 | Very low | 143 Ų | 143 | 135 Ų | 135 | 67% | 0.668 | 69% | 0.69 | S | S | * | * | trans | 80.7 | 129.3 | 155.1 | -56.5 | 134.7 | -141.9 | 0 | 0 | 118 | ||||
| 419 | L | 41.7 | Very low | 39.4 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | cis | -174 | 161.2 | -14.9 | -134.7 | 60.7 | 0 | 0 | 0 | 104 | ||||
| 420 | E | 39 | Very low | 39.6 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | cis | -157.7 | 179.4 | 3.9 | -157.6 | 160.1 | 170.6 | 0 | 0 | 108.6 | ||||
| 421 | E | 39.4 | Very low | 39.2 | Very low | 175 Ų | 175 | 142.2 Ų | 142.2 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | 70.2 | 149.4 | 169.6 | -54.5 | -150.5 | 128.1 | 0 | 0 | 120.4 | ||||
| 422 | M | 31.1 | Very low | 39.6 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | -162.7 | 136.1 | -64.1 | -96 | -116.8 | -80 | 0 | 0 | 108.1 | |||||
| 423 | T | 37.1 | Very low | 39.1 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | 68.9 | 125.1 | 69.7 | -38.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 424 | K | 39.8 | Very low | 39.8 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | 153 | 145 | 128.3 | -83.8 | 168.5 | -175.7 | 176.3 | 0 | 113 | |||||
| 425 | L | 34.3 | Very low | 40.6 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | cis | -168.8 | 153.1 | -17.6 | -159 | 73.5 | 0 | 0 | 0 | 112.4 | ||||
| 426 | T | 29.6 | Very low | 41 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | trans | 60.4 | 130.9 | 148.4 | 36.4 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 427 | N | 40.1 | Very low | 41.4 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | trans | -178.8 | 152.7 | 140.2 | -99.4 | -40.2 | 0 | 0 | 0 | 109.2 | ||||
| 428 | N | 41.3 | Very low | 42.3 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | cis | -170.4 | 171.1 | -24.9 | -149.9 | -31.2 | 0 | 0 | 0 | 111.5 | ||||
| 429 | K | 47.4 | Very low | 42.7 | Very low | 172 Ų | 172 | 147.9 Ų | 147.9 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | trans | 72 | 109.8 | 158.7 | -62.1 | 176.7 | -179.6 | -175 | 0 | 121 | ||||
| 430 | E | 38.7 | Very low | 43 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 88% | 0.879 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -153.1 | -24.4 | 142.4 | -163.6 | 151.5 | -167.3 | 0 | 0 | 115.7 | ||
| 431 | V | 42.7 | Very low | 43.7 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -122.1 | 46.2 | -166.3 | -154.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 432 | E | 48.6 | Very low | 44.6 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | trans | -101.2 | 1.3 | 173.6 | -69.6 | -178 | 143.9 | 0 | 0 | 113.9 | E434 | E432-E434 PolarHBondContact O-N 3.38Š| ||
| 433 | L | 42.9 | Very low | 45.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -9.8 | -160.5 | -113.2 | 170.8 | 0 | 0 | 0 | 117 | ||
| 434 | E | 50.3 | Low | 47 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 71% | 0.71 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -22.4 | -173.8 | -161.2 | 60 | -144.7 | 0 | 0 | 114 | E432 L436 | E432-E434 PolarHBondContact O-N 3.38Å; E434-L436 PolarHBondContact O-N 2.87Å |
| 435 | E | 50.2 | Low | 48 | Very low | 172 Ų | 172 | 144 Ų | 144 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -75.2 | -25.4 | -176.5 | -67.6 | -162 | 115.3 | 0 | 0 | 113.9 | K437 K438 | E435-K437 PolarHBondContact O-N 2.9Å; E435-K438 PolarHBondContact O-N 3.34Å |
| 436 | L | 46.4 | Very low | 49.5 | Very low | 138 Ų | 138 | 143 Ų | 143 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -63.3 | -12.4 | -176.2 | -101.2 | 167.4 | 0 | 0 | 0 | 114.6 | E434 K438 | E434-L436 PolarHBondContact O-N 2.87Å; L436-K438 VanDerWaalsContact C-N 3.32Å; L436-K438 PolarHBondContact O-N 3.01Å |
| 437 | K | 48.6 | Very low | 51.2 | Low | 175 Ų | 175 | 144 Ų | 144 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -78.6 | -11.8 | -178.9 | -144.4 | 171.7 | -169.5 | 170.5 | 0 | 114.1 | E435 | E435-K437 PolarHBondContact O-N 2.9Š|
| 438 | K | 51.7 | Low | 52.7 | Low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -89.3 | -27.7 | -173.4 | -166.3 | 178.7 | 177.3 | -171.7 | 0 | 114.4 | E435 L436 L440 | E435-K438 PolarHBondContact O-N 3.34Å; L436-K438 VanDerWaalsContact C-N 3.32Å; L436-K438 PolarHBondContact O-N 3.01Å; K438-L440 VanDerWaalsContact C-N 3.29Å; K438-L440 PolarHBondContact O-N 2.95Å |
| 439 | V | 55.6 | Low | 54.1 | Low | 91 Ų | 91 | 143.8 Ų | 143.8 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -74.3 | -13.7 | -166.4 | -175.8 | 0 | 0 | 0 | 0 | 113.8 | G441 | V439-G441 VanDerWaalsContact C-N 3.26Å; V439-G441 PolarHBondContact O-N 2.7Å |
| 440 | L | 47.9 | Very low | 55.3 | Low | 159 Ų | 159 | 141.3 Ų | 141.3 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -69.6 | -18.3 | -173.5 | -157.6 | 68.8 | 0 | 0 | 0 | 114.4 | K438 | K438-L440 VanDerWaalsContact C-N 3.29Å; K438-L440 PolarHBondContact O-N 2.95Å |
| 441 | G | 54.1 | Low | 57 | Low | 60 Ų | 60 | 139.8 Ų | 139.8 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -78.2 | -16.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V439 K443 | V439-G441 VanDerWaalsContact C-N 3.26Å; V439-G441 PolarHBondContact O-N 2.7Å; G441-K443 VanDerWaalsContact C-N 3.26Å; G441-K443 PolarHBondContact O-N 3.06Å |
| 442 | E | 58.2 | Low | 58.5 | Low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -84.4 | 3.8 | -170.4 | -63.4 | 177.9 | 163.5 | 0 | 0 | 113.8 | T445 | E442-T445 PolarHBondContact O-OG1 2.97Š|
| 443 | K | 58.5 | Low | 59.8 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -90 | -16.8 | -171.6 | -159.5 | 167.8 | -176.2 | 175.5 | 0 | 114.9 | G441 | G441-K443 VanDerWaalsContact C-N 3.26Å; G441-K443 PolarHBondContact O-N 3.06Å |
| 444 | E | 60.3 | Low | 61.5 | Low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.794 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -25.2 | -178.6 | -65.4 | -170.6 | 129 | 0 | 0 | 113.4 | ||
| 445 | T | 60.4 | Low | 62.9 | Low | 92 Ų | 92 | 133.6 Ų | 133.6 | 56% | 0.564 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.9 | -46.9 | 179.8 | 47.1 | 0 | 0 | 0 | 0 | 112.6 | E442 L447 Y448 E449 | E442-T445 PolarHBondContact O-OG1 2.97Å; T445-L447 PolarHBondContact O-N 3.42Å; T445-L447 VanDerWaalsContact O-N 3.12Å; T445-Y448 WeakPolarHBondContact O-CB 3.47Å; T445-Y448 PolarHBondContact O-N 3.23Å; T445-E449 PolarHBondContact O-N 3.2Å |
| 446 | L | 65.8 | Low | 64.3 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 58% | 0.576 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.3 | -27.1 | 179.9 | -67.5 | 170.6 | 0 | 0 | 0 | 113.3 | Y448 N450 | L446-Y448 VanDerWaalsContact C-N 3.33Å; L446-N450 PolarHBondContact O-N 3.42Å |
| 447 | L | 64.8 | Low | 65.9 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 71% | 0.707 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.1 | -26.2 | 179.6 | -134.4 | 169.7 | 0 | 0 | 0 | 112.1 | T445 | T445-L447 PolarHBondContact O-N 3.42Å; T445-L447 VanDerWaalsContact O-N 3.12Å |
| 448 | Y | 72 | Confident | 67.5 | Low | 162 Ų | 162 | 124.1 Ų | 124.1 | 64% | 0.635 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -76.5 | -41.2 | 174.1 | -177.9 | -99.5 | 0 | 0 | 0 | 112 | T445 L446 K451 Q452 | T445-Y448 WeakPolarHBondContact O-CB 3.47Å; T445-Y448 PolarHBondContact O-N 3.23Å; L446-Y448 VanDerWaalsContact C-N 3.33Å; Y448-K451 PolarHBondContact O-N 2.92Å; Y448-Q452 PolarHBondContact OH-NE2 2.91Å |
| 449 | E | 70.9 | Confident | 68.9 | Low | 106 Ų | 106 | 120.2 Ų | 120.2 | 50% | 0.495 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.1 | -44.3 | -179 | -63.7 | -178.4 | 149.9 | 0 | 0 | 112 | T445 K451 Q452 F453 | T445-E449 PolarHBondContact O-N 3.2Å; E449-K451 PolarHBondContact O-N 3.11Å; E449-K451 VanDerWaalsContact O-N 3.15Å; E449-Q452 WeakPolarHBondContact O-CB 3.43Å; E449-Q452 PolarHBondContact O-N 3.03Å; E449-F453 WeakPolarHBondContact O-CD2 3.4Å; E449-F453 PolarHBondContact O-N 3.27Å |
| 450 | N | 72.2 | Confident | 70 | Confident | 120 Ų | 120 | 121.2 Ų | 121.2 | 64% | 0.642 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.3 | -32.3 | -179.9 | -155.9 | 38.3 | 0 | 0 | 0 | 112.5 | L446 Q452 F453 E454 | L446-N450 PolarHBondContact O-N 3.42Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.34Å; N450-F453 PolarHBondContact O-N 3.43Å; N450-E454 PolarHBondContact O-N 3.25Å |
| 451 | K | 74.9 | Confident | 71.7 | Confident | 155 Ų | 155 | 119.9 Ų | 119.9 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.4 | -18.5 | 177.7 | -166.2 | 169.7 | -176.6 | 175 | 0 | 113.8 | Y448 E449 | Y448-K451 PolarHBondContact O-N 2.92Å; E449-K451 PolarHBondContact O-N 3.11Å; E449-K451 VanDerWaalsContact O-N 3.15Å |
| 452 | Q | 73.2 | Confident | 73 | Confident | 82 Ų | 82 | 118.6 Ų | 118.6 | 38% | 0.383 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -80.3 | -38.3 | 172.5 | -57.1 | -62.1 | -22 | 0 | 0 | 111.2 | Y448 E449 N450 E454 K455 I456 | Y448-Q452 PolarHBondContact OH-NE2 2.91Å; E449-Q452 WeakPolarHBondContact O-CB 3.43Å; E449-Q452 PolarHBondContact O-N 3.03Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.34Å; Q452-E454 PolarHBondContact O-N 2.85Å; Q452-K455 PolarHBondContact O-N 3.04Å; Q452-I456 WeakPolarHBondContact O-CG1 3.31Å; Q452-I456 PolarHBondContact O-N 2.71Å; Q452-I456 VanDerWaalsContact O-N 3.13Å |
| 453 | F | 77.4 | Confident | 74.1 | Confident | 136 Ų | 136 | 115.2 Ų | 115.2 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.1 | -38.9 | 177.7 | -71.9 | -68.4 | 0 | 0 | 0 | 112.9 | E449 N450 K455 I456 A457 | E449-F453 WeakPolarHBondContact O-CD2 3.4Å; E449-F453 PolarHBondContact O-N 3.27Å; N450-F453 PolarHBondContact O-N 3.43Å; F453-K455 VanDerWaalsContact C-N 3.34Å; F453-K455 PolarHBondContact O-N 3.14Å; F453-I456 PolarHBondContact O-N 2.88Å; F453-A457 PolarHBondContact O-N 3.38Å |
| 454 | E | 77.3 | Confident | 75.2 | Confident | 139 Ų | 139 | 112.7 Ų | 112.7 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.6 | -42 | 177.2 | -165.2 | 161.3 | -136.4 | 0 | 0 | 111.7 | N450 Q452 I456 A457 E458 | N450-E454 PolarHBondContact O-N 3.25Å; Q452-E454 PolarHBondContact O-N 2.85Å; E454-I456 PolarHBondContact O-N 3.08Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 3.1Å; E454-E458 PolarHBondContact O-N 3.37Å; E454-E458 VanDerWaalsContact O-N 3.15Å |
| 455 | K | 79.5 | Confident | 76.4 | Confident | 106 Ų | 106 | 110.9 Ų | 110.9 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 175.1 | -173.3 | 174.3 | -179.3 | -65.9 | 0 | 113 | Q452 F453 A457 E458 E459 | Q452-K455 PolarHBondContact O-N 3.04Å; F453-K455 VanDerWaalsContact C-N 3.34Å; F453-K455 PolarHBondContact O-N 3.14Å; K455-A457 VanDerWaalsContact C-N 3.33Å; K455-E458 PolarHBondContact O-N 2.88Å; K455-E459 IonicContact NZ-OE1 3.37Å; K455-E459 PolarHBondContact NZ-OE1 3.31Å; K455-E459 WeakPolarHBondContact O-CG 3.43Å; K455-E459 PolarHBondContact O-N 3.15Å; K455-E459 VanDerWaalsContact O-N 3.1Å |
| 456 | I | 80.8 | Confident | 77.5 | Confident | 85 Ų | 85 | 113.2 Ų | 113.2 | 44% | 0.436 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -35.9 | 175.4 | -67.1 | 165 | 0 | 0 | 0 | 111 | Q452 F453 E454 E459 L460 | Q452-I456 WeakPolarHBondContact O-CG1 3.31Å; Q452-I456 PolarHBondContact O-N 2.71Å; Q452-I456 VanDerWaalsContact O-N 3.13Å; F453-I456 PolarHBondContact O-N 2.88Å; E454-I456 PolarHBondContact O-N 3.08Å; I456-E459 PolarHBondContact O-N 3.05Å; I456-L460 HydrophobicContact CG2-CD1 4.16Å; I456-L460 WeakPolarHBondContact O-CB 3.5Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 3.33Å |
| 457 | A | 79.7 | Confident | 78.4 | Confident | 57 Ų | 57 | 113.3 Ų | 113.3 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.4 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F453 E454 K455 K461 | F453-A457 PolarHBondContact O-N 3.38Å; E454-A457 WeakPolarHBondContact O-CB 3.28Å; E454-A457 PolarHBondContact O-N 3.1Å; K455-A457 VanDerWaalsContact C-N 3.33Å; A457-K461 WeakPolarHBondContact O-CB 3.26Å; A457-K461 PolarHBondContact O-N 2.88Å; A457-K461 VanDerWaalsContact O-N 3.1Å |
| 458 | E | 81.6 | Confident | 79.6 | Confident | 145 Ų | 145 | 110.9 Ų | 110.9 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.5 | -40.6 | 173.5 | -67.3 | -172.5 | 134.7 | 0 | 0 | 112.3 | E454 K455 K461 G462 | E454-E458 PolarHBondContact O-N 3.37Å; E454-E458 VanDerWaalsContact O-N 3.15Å; K455-E458 PolarHBondContact O-N 2.88Å; E458-K461 PolarHBondContact O-N 2.92Å; E458-G462 PolarHBondContact O-N 2.77Å; E458-G462 VanDerWaalsContact O-N 3.11Å |
| 459 | E | 81.3 | Confident | 80.3 | Confident | 106 Ų | 106 | 105.1 Ų | 105.1 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 175.2 | -74.4 | 171.2 | -170.2 | 0 | 0 | 112 | K455 I456 K461 G462 T463 | K455-E459 IonicContact NZ-OE1 3.37Å; K455-E459 PolarHBondContact NZ-OE1 3.31Å; K455-E459 WeakPolarHBondContact O-CG 3.43Å; K455-E459 PolarHBondContact O-N 3.15Å; K455-E459 VanDerWaalsContact O-N 3.1Å; I456-E459 PolarHBondContact O-N 3.05Å; E459-K461 PolarHBondContact O-N 2.72Å; E459-G462 PolarHBondContact O-N 3.23Å; E459-T463 PolarHBondContact O-N 2.69Å |
| 460 | L | 79.5 | Confident | 81.2 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.1 | -46 | 173.6 | -81.4 | 166.4 | 0 | 0 | 0 | 112.1 | I456 G462 T463 E464 | I456-L460 HydrophobicContact CG2-CD1 4.16Å; I456-L460 WeakPolarHBondContact O-CB 3.5Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 3.33Å; L460-G462 VanDerWaalsContact C-N 3.25Å; L460-G462 PolarHBondContact O-N 3.49Å; L460-T463 PolarHBondContact O-N 3.37Å; L460-T463 VanDerWaalsContact O-N 3.07Å; L460-T463 PolarHBondContact O-OG1 2.92Å; L460-E464 PolarHBondContact O-N 3.44Å |
| 461 | K | 82.3 | Confident | 82 | Confident | 132 Ų | 132 | 104.9 Ų | 104.9 | 57% | 0.574 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.1 | -32 | 178.3 | -172 | 178 | 179.9 | -178.4 | 0 | 112.7 | A457 E458 E459 Q465 | A457-K461 WeakPolarHBondContact O-CB 3.26Å; A457-K461 PolarHBondContact O-N 2.88Å; A457-K461 VanDerWaalsContact O-N 3.1Å; E458-K461 PolarHBondContact O-N 2.92Å; E459-K461 PolarHBondContact O-N 2.72Å; K461-Q465 WeakPolarHBondContact O-CG 3.4Å; K461-Q465 PolarHBondContact O-N 2.93Å |
| 462 | G | 82 | Confident | 82.6 | Confident | 33 Ų | 33 | 102.5 Ų | 102.5 | 34% | 0.34 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.7 | -50.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E458 E459 L460 E464 Q465 E466 | E458-G462 PolarHBondContact O-N 2.77Å; E458-G462 VanDerWaalsContact O-N 3.11Å; E459-G462 PolarHBondContact O-N 3.23Å; L460-G462 VanDerWaalsContact C-N 3.25Å; L460-G462 PolarHBondContact O-N 3.49Å; G462-E464 VanDerWaalsContact C-N 3.29Å; G462-E464 PolarHBondContact O-N 3Å; G462-Q465 PolarHBondContact O-N 3.22Å; G462-Q465 VanDerWaalsContact O-N 3.13Å; G462-E466 PolarHBondContact O-N 3.33Å; G462-E466 VanDerWaalsContact O-N 3.13Å |
| 463 | T | 81 | Confident | 83.3 | Confident | 70 Ų | 70 | 100.8 Ų | 100.8 | 43% | 0.429 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -31.6 | -179.9 | 64.3 | 0 | 0 | 0 | 0 | 113.6 | E459 L460 E466 L467 | E459-T463 PolarHBondContact O-N 2.69Å; L460-T463 PolarHBondContact O-N 3.37Å; L460-T463 VanDerWaalsContact O-N 3.07Å; L460-T463 PolarHBondContact O-OG1 2.92Å; T463-E466 PolarHBondContact O-N 3.49Å; T463-L467 WeakPolarHBondContact O-CB 3.3Å; T463-L467 WeakPolarHBondContact O-CG 3.37Å; T463-L467 PolarHBondContact O-N 3.22Å |
| 464 | E | 82.5 | Confident | 83.7 | Confident | 115 Ų | 115 | 102.1 Ų | 102.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 173.3 | -176.3 | 179.7 | -155.8 | 0 | 0 | 111.5 | L460 G462 L467 I468 | L460-E464 PolarHBondContact O-N 3.44Å; G462-E464 VanDerWaalsContact C-N 3.29Å; G462-E464 PolarHBondContact O-N 3Å; E464-L467 PolarHBondContact O-N 2.82Å; E464-I468 HydrophobicContact CG-CD1 4.2Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 2.86Å |
| 465 | Q | 84.5 | Confident | 84.2 | Confident | 131 Ų | 131 | 101 Ų | 101 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.1 | -34.9 | 179.6 | -66.8 | -173.5 | -48.3 | 0 | 0 | 112.6 | K461 G462 I468 G469 | K461-Q465 WeakPolarHBondContact O-CG 3.4Å; K461-Q465 PolarHBondContact O-N 2.93Å; G462-Q465 PolarHBondContact O-N 3.22Å; G462-Q465 VanDerWaalsContact O-N 3.13Å; Q465-I468 PolarHBondContact O-N 3.41Å; Q465-G469 PolarHBondContact O-N 3.37Å; Q465-G469 VanDerWaalsContact O-N 3.1Å |
| 466 | E | 83.3 | Confident | 84.7 | Confident | 141 Ų | 141 | 102.6 Ų | 102.6 | 66% | 0.659 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.7 | -42.8 | 171.1 | -68.4 | -170.7 | 150.5 | 0 | 0 | 111.9 | G462 T463 I468 G469 L470 | G462-E466 PolarHBondContact O-N 3.33Å; G462-E466 VanDerWaalsContact O-N 3.13Å; T463-E466 PolarHBondContact O-N 3.49Å; E466-I468 PolarHBondContact O-N 2.91Å; E466-G469 PolarHBondContact O-N 2.81Å; E466-L470 WeakPolarHBondContact O-CG 3.26Å; E466-L470 PolarHBondContact O-N 2.81Å |
| 467 | L | 86 | Confident | 85.1 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 175.8 | -82.2 | 165.2 | 0 | 0 | 0 | 112.4 | T463 E464 G469 L470 L471 | T463-L467 WeakPolarHBondContact O-CB 3.3Å; T463-L467 WeakPolarHBondContact O-CG 3.37Å; T463-L467 PolarHBondContact O-N 3.22Å; E464-L467 PolarHBondContact O-N 2.82Å; L467-G469 VanDerWaalsContact C-N 3.34Å; L467-G469 PolarHBondContact O-N 3.06Å; L467-L470 PolarHBondContact O-N 3.29Å; L467-L471 WeakPolarHBondContact O-CB 3.43Å; L467-L471 PolarHBondContact O-N 2.97Å |
| 468 | I | 88.7 | Confident | 85.6 | Confident | 85 Ų | 85 | 104.8 Ų | 104.8 | 44% | 0.436 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.9 | -69.1 | 163.9 | 0 | 0 | 0 | 111 | E464 Q465 E466 L471 Q472 | E464-I468 HydrophobicContact CG-CD1 4.2Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 2.86Å; Q465-I468 PolarHBondContact O-N 3.41Å; E466-I468 PolarHBondContact O-N 2.91Å; I468-L471 PolarHBondContact O-N 2.89Å; I468-Q472 WeakPolarHBondContact O-CG 3.47Å; I468-Q472 PolarHBondContact O-N 3.09Å |
| 469 | G | 87.4 | Confident | 85.9 | Confident | 41 Ų | 41 | 102.7 Ų | 102.7 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q465 E466 L467 A473 | Q465-G469 PolarHBondContact O-N 3.37Å; Q465-G469 VanDerWaalsContact O-N 3.1Å; E466-G469 PolarHBondContact O-N 2.81Å; L467-G469 VanDerWaalsContact C-N 3.34Å; L467-G469 PolarHBondContact O-N 3.06Å; G469-A473 PolarHBondContact O-N 3.45Å; G469-A473 VanDerWaalsContact O-N 3.1Å |
| 470 | L | 89.8 | Confident | 86.4 | Confident | 116 Ų | 116 | 102 Ų | 102 | 61% | 0.607 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.6 | -37.9 | 175 | -71.2 | 171.2 | 0 | 0 | 0 | 112.5 | E466 L467 A473 R474 | E466-L470 WeakPolarHBondContact O-CG 3.26Å; E466-L470 PolarHBondContact O-N 2.81Å; L467-L470 PolarHBondContact O-N 3.29Å; L470-A473 WeakPolarHBondContact O-CB 3.15Å; L470-A473 PolarHBondContact O-N 3.09Å; L470-R474 PolarHBondContact O-N 3.3Å |
| 471 | L | 88.4 | Confident | 87 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -47.9 | 178.5 | -153.3 | 165.1 | 0 | 0 | 0 | 110.5 | L467 I468 A473 R474 E475 | L467-L471 WeakPolarHBondContact O-CB 3.43Å; L467-L471 PolarHBondContact O-N 2.97Å; I468-L471 PolarHBondContact O-N 2.89Å; L471-A473 PolarHBondContact O-N 2.96Å; L471-R474 PolarHBondContact O-N 3.2Å; L471-R474 VanDerWaalsContact O-N 3.09Å; L471-E475 HydrophobicContact CD2-CG 3.95Å; L471-E475 WeakPolarHBondContact CD2-OE1 3.49Å; L471-E475 WeakPolarHBondContact O-CG 3.48Å; L471-E475 PolarHBondContact O-N 3.3Å |
| 472 | Q | 87.8 | Confident | 87.4 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -25.3 | 175.1 | -69.9 | -178.7 | 0.8 | 0 | 0 | 113.9 | I468 K476 | I468-Q472 WeakPolarHBondContact O-CG 3.47Å; I468-Q472 PolarHBondContact O-N 3.09Å; Q472-K476 WeakPolarHBondContact O-CG 3.34Å |
| 473 | A | 87.8 | Confident | 87.9 | Confident | 46 Ų | 46 | 102.9 Ų | 102.9 | 38% | 0.38 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.7 | -45.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G469 L470 L471 E475 K476 E477 | G469-A473 PolarHBondContact O-N 3.45Å; G469-A473 VanDerWaalsContact O-N 3.1Å; L470-A473 WeakPolarHBondContact O-CB 3.15Å; L470-A473 PolarHBondContact O-N 3.09Å; L471-A473 PolarHBondContact O-N 2.96Å; A473-E475 PolarHBondContact O-N 3.3Å; A473-K476 PolarHBondContact O-N 2.88Å; A473-E477 PolarHBondContact O-N 2.81Å; A473-E477 VanDerWaalsContact O-N 3.14Å |
| 474 | R | 86.6 | Confident | 88.3 | Confident | 165 Ų | 165 | 104.9 Ų | 104.9 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.4 | -37 | 176 | -69.4 | -53.5 | -162.5 | -173.2 | 0.4 | 113.1 | L470 L471 K476 E477 V478 | L470-R474 PolarHBondContact O-N 3.3Å; L471-R474 PolarHBondContact O-N 3.2Å; L471-R474 VanDerWaalsContact O-N 3.09Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.07Å; R474-E477 WeakPolarHBondContact CD-OE2 3.45Å; R474-E477 IonicContact CZ-OE2 3.34Å; R474-E477 IonicContact NE-OE2 3.8Å; R474-E477 IonicContact NH1-OE1 3.83Å; R474-E477 IonicContact NH1-OE2 3.55Å; R474-E477 PolarHBondContact NH1-OE2 3.03Å; R474-E477 PolarHBondContact O-N 3.39Å; R474-V478 WeakPolarHBondContact O-CB 3.38Å; R474-V478 VanDerWaalsContact O-CG2 3.31Å; R474-V478 WeakPolarHBondContact O-CG2 3.32Å; R474-V478 PolarHBondContact O-N 3.19Å |
| 475 | E | 88.2 | Confident | 88.7 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 54% | 0.537 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.6 | -39.7 | 175 | -74.2 | 173.7 | 153.5 | 0 | 0 | 112.1 | L471 A473 H479 | L471-E475 HydrophobicContact CD2-CG 3.95Å; L471-E475 WeakPolarHBondContact CD2-OE1 3.49Å; L471-E475 WeakPolarHBondContact O-CG 3.48Å; L471-E475 PolarHBondContact O-N 3.3Å; A473-E475 PolarHBondContact O-N 3.3Å; E475-H479 PolarHBondContact O-N 3.49Å; E475-H479 VanDerWaalsContact O-N 3.07Å |
| 476 | K | 89.2 | Confident | 89 | Confident | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -45.7 | 176.1 | -69.8 | 170.2 | -176.1 | 169.7 | 0 | 112.2 | Q472 A473 R474 V478 H479 D480 | Q472-K476 WeakPolarHBondContact O-CG 3.34Å; A473-K476 PolarHBondContact O-N 2.88Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.07Å; K476-V478 VanDerWaalsContact C-N 3.29Å; K476-V478 PolarHBondContact O-N 3.31Å; K476-H479 PolarHBondContact O-N 3.04Å; K476-H479 VanDerWaalsContact O-N 3.15Å; K476-D480 PolarHBondContact O-N 3.38Å |
| 477 | E | 89.5 | Confident | 89.3 | Confident | 91 Ų | 91 | 98.2 Ų | 98.2 | 43% | 0.425 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 175.3 | -69.5 | 178 | 160.9 | 0 | 0 | 112.2 | A473 R474 L481 | A473-E477 PolarHBondContact O-N 2.81Å; A473-E477 VanDerWaalsContact O-N 3.14Å; R474-E477 WeakPolarHBondContact CD-OE2 3.45Å; R474-E477 IonicContact CZ-OE2 3.34Å; R474-E477 IonicContact NE-OE2 3.8Å; R474-E477 IonicContact NH1-OE1 3.83Å; R474-E477 IonicContact NH1-OE2 3.55Å; R474-E477 PolarHBondContact NH1-OE2 3.03Å; R474-E477 PolarHBondContact O-N 3.39Å; E477-L481 WeakPolarHBondContact O-CB 3.41Å; E477-L481 VanDerWaalsContact O-CG 3.25Å; E477-L481 WeakPolarHBondContact O-CG 3.49Å; E477-L481 PolarHBondContact O-N 3.49Å |
| 478 | V | 89.3 | Confident | 89.5 | Confident | 96 Ų | 96 | 97.6 Ų | 97.6 | 58% | 0.582 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 175.2 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | R474 K476 L481 E482 | R474-V478 WeakPolarHBondContact O-CB 3.38Å; R474-V478 VanDerWaalsContact O-CG2 3.31Å; R474-V478 WeakPolarHBondContact O-CG2 3.32Å; R474-V478 PolarHBondContact O-N 3.19Å; K476-V478 VanDerWaalsContact C-N 3.29Å; K476-V478 PolarHBondContact O-N 3.31Å; V478-L481 PolarHBondContact O-N 3.1Å; V478-E482 WeakPolarHBondContact O-CB 3.5Å; V478-E482 PolarHBondContact O-N 3.28Å |
| 479 | H | 89.9 | Confident | 89.6 | Confident | 102 Ų | 102 | 96.4 Ų | 96.4 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -38.8 | 178 | -168.4 | 53.3 | 0 | 0 | 0 | 112.9 | E475 K476 L481 E482 I483 | E475-H479 PolarHBondContact O-N 3.49Å; E475-H479 VanDerWaalsContact O-N 3.07Å; K476-H479 PolarHBondContact O-N 3.04Å; K476-H479 VanDerWaalsContact O-N 3.15Å; H479-L481 VanDerWaalsContact C-N 3.27Å; H479-L481 PolarHBondContact O-N 3.25Å; H479-E482 IonicContact CE1-OE2 3.12Å; H479-E482 IonicContact ND1-OE2 3.76Å; H479-E482 PolarHBondContact ND1-OE2 3Å; H479-E482 WeakPolarHBondContact O-CB 3.46Å; H479-E482 PolarHBondContact O-N 2.89Å; H479-E482 VanDerWaalsContact O-N 3.16Å; H479-I483 WeakPolarHBondContact O-CG1 3.46Å; H479-I483 PolarHBondContact O-N 2.93Å |
| 480 | D | 89.9 | Confident | 89.7 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.3 | -32.2 | 173.6 | -74.4 | -26.8 | 0 | 0 | 0 | 112 | K476 Q484 | K476-D480 PolarHBondContact O-N 3.38Å; D480-Q484 WeakPolarHBondContact O-CG 3.42Å; D480-Q484 PolarHBondContact O-N 3.27Å; D480-Q484 PolarHBondContact O-NE2 3.19Å |
| 481 | L | 92.5 | Very high | 89.6 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -34.6 | 171.7 | -72.8 | 169.2 | 0 | 0 | 0 | 112.5 | E477 V478 H479 Q484 L485 | E477-L481 WeakPolarHBondContact O-CB 3.41Å; E477-L481 VanDerWaalsContact O-CG 3.25Å; E477-L481 WeakPolarHBondContact O-CG 3.49Å; E477-L481 PolarHBondContact O-N 3.49Å; V478-L481 PolarHBondContact O-N 3.1Å; H479-L481 VanDerWaalsContact C-N 3.27Å; H479-L481 PolarHBondContact O-N 3.25Å; L481-Q484 PolarHBondContact O-N 3.35Å; L481-L485 WeakPolarHBondContact O-CB 3.5Å; L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 2.98Å |
| 482 | E | 91.3 | Very high | 89.7 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 174.1 | -174.5 | 177.9 | -133.6 | 0 | 0 | 111.8 | V478 H479 L485 T486 | V478-E482 WeakPolarHBondContact O-CB 3.5Å; V478-E482 PolarHBondContact O-N 3.28Å; H479-E482 IonicContact CE1-OE2 3.12Å; H479-E482 IonicContact ND1-OE2 3.76Å; H479-E482 PolarHBondContact ND1-OE2 3Å; H479-E482 WeakPolarHBondContact O-CB 3.46Å; H479-E482 PolarHBondContact O-N 2.89Å; H479-E482 VanDerWaalsContact O-N 3.16Å; E482-L485 PolarHBondContact O-N 2.92Å; E482-T486 WeakPolarHBondContact O-CG2 3.19Å; E482-T486 PolarHBondContact O-N 3.1Å; E482-T486 PolarHBondContact O-OG1 2.99Å |
| 483 | I | 91.9 | Very high | 89.8 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 45% | 0.451 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 171.4 | -67.4 | 166 | 0 | 0 | 0 | 110.9 | H479 T486 A487 | H479-I483 WeakPolarHBondContact O-CG1 3.46Å; H479-I483 PolarHBondContact O-N 2.93Å; I483-T486 WeakPolarHBondContact CA-OG1 3.36Å; I483-T486 PolarHBondContact O-OG1 2.73Å; I483-A487 WeakPolarHBondContact O-CB 3.37Å; I483-A487 PolarHBondContact O-N 3.03Å |
| 484 | Q | 90.5 | Very high | 90 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 175.1 | -75.1 | 170.5 | 71.8 | 0 | 0 | 112.5 | D480 L481 T486 A487 I488 | D480-Q484 WeakPolarHBondContact O-CG 3.42Å; D480-Q484 PolarHBondContact O-N 3.27Å; D480-Q484 PolarHBondContact O-NE2 3.19Å; L481-Q484 PolarHBondContact O-N 3.35Å; Q484-T486 PolarHBondContact O-N 3.1Å; Q484-A487 PolarHBondContact O-N 2.98Å; Q484-I488 VanDerWaalsContact O-CG1 3.28Å; Q484-I488 WeakPolarHBondContact O-CG1 3.24Å; Q484-I488 PolarHBondContact O-N 3.44Å |
| 485 | L | 90.3 | Very high | 90.2 | Very high | 109 Ų | 109 | 101.3 Ų | 101.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -39.6 | 177 | -79.9 | 166.2 | 0 | 0 | 0 | 112.4 | L481 E482 I488 T489 | L481-L485 WeakPolarHBondContact O-CB 3.5Å; L481-L485 WeakPolarHBondContact O-CG 3.44Å; L481-L485 PolarHBondContact O-N 2.98Å; E482-L485 PolarHBondContact O-N 2.92Å; L485-I488 PolarHBondContact O-N 2.78Å; L485-T489 WeakPolarHBondContact O-CB 3.46Å; L485-T489 PolarHBondContact O-N 3.49Å; L485-T489 PolarHBondContact O-OG1 3.48Å |
| 486 | T | 90.1 | Very high | 90.4 | Very high | 82 Ų | 82 | 98.5 Ų | 98.5 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.7 | -36.2 | 175.8 | 48.6 | 0 | 0 | 0 | 0 | 112.4 | E482 I483 Q484 T489 T490 | E482-T486 WeakPolarHBondContact O-CG2 3.19Å; E482-T486 PolarHBondContact O-N 3.1Å; E482-T486 PolarHBondContact O-OG1 2.99Å; I483-T486 WeakPolarHBondContact CA-OG1 3.36Å; I483-T486 PolarHBondContact O-OG1 2.73Å; Q484-T486 PolarHBondContact O-N 3.1Å; T486-T489 PolarHBondContact O-N 3.3Å; T486-T490 WeakPolarHBondContact O-CG2 3.25Å; T486-T490 PolarHBondContact O-N 3.02Å; T486-T490 PolarHBondContact O-OG1 3.45Å |
| 487 | A | 90.1 | Very high | 90.5 | Very high | 55 Ų | 55 | 98.1 Ų | 98.1 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I483 Q484 T490 S491 | I483-A487 WeakPolarHBondContact O-CB 3.37Å; I483-A487 PolarHBondContact O-N 3.03Å; Q484-A487 PolarHBondContact O-N 2.98Å; A487-T490 PolarHBondContact O-N 3.16Å; A487-T490 PolarHBondContact O-OG1 3.42Å; A487-S491 PolarHBondContact O-N 3.22Å; A487-S491 VanDerWaalsContact O-N 3.11Å |
| 488 | I | 90.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -50.4 | 174.2 | -69.9 | 164.4 | 0 | 0 | 0 | 110 | Q484 L485 T490 S491 E492 | Q484-I488 VanDerWaalsContact O-CG1 3.28Å; Q484-I488 WeakPolarHBondContact O-CG1 3.24Å; Q484-I488 PolarHBondContact O-N 3.44Å; L485-I488 PolarHBondContact O-N 2.78Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 3.08Å; I488-S491 PolarHBondContact O-N 3.43Å; I488-S491 VanDerWaalsContact O-N 3.09Å; I488-S491 PolarHBondContact O-OG 3.36Å; I488-E492 PolarHBondContact O-N 2.85Å |
| 489 | T | 90.4 | Very high | 90.6 | Very high | 61 Ų | 61 | 97.7 Ų | 97.7 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.4 | -41.7 | -179.2 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | L485 T486 E492 Q493 | L485-T489 WeakPolarHBondContact O-CB 3.46Å; L485-T489 PolarHBondContact O-N 3.49Å; L485-T489 PolarHBondContact O-OG1 3.48Å; T486-T489 PolarHBondContact O-N 3.3Å; T489-E492 PolarHBondContact O-N 2.74Å; T489-Q493 VanDerWaalsContact O-CG 3.3Å; T489-Q493 WeakPolarHBondContact O-CG 3.49Å; T489-Q493 PolarHBondContact O-N 3.32Å |
| 490 | T | 89.8 | Confident | 90.7 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -36.3 | 177.5 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | T486 A487 I488 Q493 Y494 | T486-T490 WeakPolarHBondContact O-CG2 3.25Å; T486-T490 PolarHBondContact O-N 3.02Å; T486-T490 PolarHBondContact O-OG1 3.45Å; A487-T490 PolarHBondContact O-N 3.16Å; A487-T490 PolarHBondContact O-OG1 3.42Å; I488-T490 VanDerWaalsContact C-N 3.32Å; I488-T490 PolarHBondContact O-N 3.08Å; T490-Q493 PolarHBondContact O-N 3.29Å; T490-Y494 PolarHBondContact O-N 3.1Å |
| 491 | S | 87.8 | Confident | 90.7 | Very high | 53 Ų | 53 | 98.1 Ų | 98.1 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69 | -37 | 172.8 | 74.3 | 0 | 0 | 0 | 0 | 113 | A487 I488 Y494 Y495 | A487-S491 PolarHBondContact O-N 3.22Å; A487-S491 VanDerWaalsContact O-N 3.11Å; I488-S491 PolarHBondContact O-N 3.43Å; I488-S491 VanDerWaalsContact O-N 3.09Å; I488-S491 PolarHBondContact O-OG 3.36Å; S491-Y494 WeakPolarHBondContact O-CB 3.31Å; S491-Y494 PolarHBondContact O-N 3.46Å; S491-Y495 WeakPolarHBondContact O-CD2 3.34Å; S491-Y495 PolarHBondContact O-N 2.92Å |
| 492 | E | 90.3 | Very high | 90.7 | Very high | 130 Ų | 130 | 98.2 Ų | 98.2 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.3 | -39 | 174.5 | -173.4 | 176.6 | -159.2 | 0 | 0 | 111.3 | I488 T489 Y494 Y495 S496 | I488-E492 PolarHBondContact O-N 2.85Å; T489-E492 PolarHBondContact O-N 2.74Å; E492-Y494 VanDerWaalsContact C-N 3.34Å; E492-Y494 PolarHBondContact O-N 2.92Å; E492-Y495 PolarHBondContact O-N 3.47Å; E492-S496 WeakPolarHBondContact O-CB 3.4Å; E492-S496 PolarHBondContact O-N 3.13Å |
| 493 | Q | 90.3 | Very high | 90.7 | Very high | 127 Ų | 127 | 99.5 Ų | 99.5 | 59% | 0.593 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -38 | 171.7 | -74 | 176.9 | 17.1 | 0 | 0 | 112.4 | T489 T490 K497 | T489-Q493 VanDerWaalsContact O-CG 3.3Å; T489-Q493 WeakPolarHBondContact O-CG 3.49Å; T489-Q493 PolarHBondContact O-N 3.32Å; T490-Q493 PolarHBondContact O-N 3.29Å; Q493-K497 PolarHBondContact O-N 3.19Å |
| 494 | Y | 92.5 | Very high | 90.7 | Very high | 141 Ų | 141 | 99.4 Ų | 99.4 | 55% | 0.553 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.7 | -55 | 173.3 | 173.1 | -85.5 | 0 | 0 | 0 | 111.3 | T490 S491 E492 S496 K497 E498 | T490-Y494 PolarHBondContact O-N 3.1Å; S491-Y494 WeakPolarHBondContact O-CB 3.31Å; S491-Y494 PolarHBondContact O-N 3.46Å; E492-Y494 VanDerWaalsContact C-N 3.34Å; E492-Y494 PolarHBondContact O-N 2.92Å; Y494-S496 VanDerWaalsContact C-N 3.31Å; Y494-S496 PolarHBondContact O-N 2.99Å; Y494-K497 WeakPolarHBondContact O-CA 3.43Å; Y494-K497 WeakPolarHBondContact O-CB 3.46Å; Y494-K497 PolarHBondContact O-N 3.11Å; Y494-E498 WeakPolarHBondContact CE1-OE2 3.48Å; Y494-E498 PolarHBondContact O-N 2.89Å |
| 495 | Y | 89.7 | Confident | 90.8 | Very high | 141 Ų | 141 | 99.8 Ų | 99.8 | 55% | 0.553 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -35.2 | 179 | -65.8 | -58.4 | 0 | 0 | 0 | 112.3 | S491 E492 K497 E498 V499 | S491-Y495 WeakPolarHBondContact O-CD2 3.34Å; S491-Y495 PolarHBondContact O-N 2.92Å; E492-Y495 PolarHBondContact O-N 3.47Å; Y495-K497 PolarHBondContact O-N 2.82Å; Y495-E498 PolarHBondContact O-N 3.25Å; Y495-V499 WeakPolarHBondContact O-CB 3.5Å; Y495-V499 VanDerWaalsContact O-CG2 3.3Å; Y495-V499 WeakPolarHBondContact O-CG2 3.28Å; Y495-V499 PolarHBondContact O-N 3.37Å |
| 496 | S | 92.4 | Very high | 90.8 | Very high | 56 Ų | 56 | 99.5 Ų | 99.5 | 39% | 0.392 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -25.8 | 173.2 | -171.7 | 0 | 0 | 0 | 0 | 112.8 | E492 Y494 K500 | E492-S496 WeakPolarHBondContact O-CB 3.4Å; E492-S496 PolarHBondContact O-N 3.13Å; Y494-S496 VanDerWaalsContact C-N 3.31Å; Y494-S496 PolarHBondContact O-N 2.99Å; S496-K500 VanDerWaalsContact O-CG 3.29Å; S496-K500 WeakPolarHBondContact O-CG 3.48Å; S496-K500 PolarHBondContact O-NZ 3.04Å; S496-K500 PolarHBondContact OG-NZ 3.24Å |
| 497 | K | 92.7 | Very high | 90.8 | Very high | 133 Ų | 133 | 99.8 Ų | 99.8 | 58% | 0.578 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -80 | -49.9 | 171.9 | -169.6 | -171.4 | 172.3 | -169 | 0 | 111 | Q493 Y494 Y495 V499 K500 D501 | Q493-K497 PolarHBondContact O-N 3.19Å; Y494-K497 WeakPolarHBondContact O-CA 3.43Å; Y494-K497 WeakPolarHBondContact O-CB 3.46Å; Y494-K497 PolarHBondContact O-N 3.11Å; Y495-K497 PolarHBondContact O-N 2.82Å; K497-V499 VanDerWaalsContact C-N 3.27Å; K497-V499 PolarHBondContact O-N 2.95Å; K497-K500 WeakPolarHBondContact O-CA 3.33Å; K497-K500 WeakPolarHBondContact O-CB 3.39Å; K497-K500 PolarHBondContact O-N 2.97Å; K497-D501 WeakPolarHBondContact CE-OD2 3.19Å; K497-D501 PolarHBondContact O-N 2.91Å |
| 498 | E | 91.8 | Very high | 90.9 | Very high | 81 Ų | 81 | 102.2 Ų | 102.2 | 38% | 0.379 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.7 | -41.8 | 178.1 | -172.9 | 169.4 | -148 | 0 | 0 | 112.1 | Y494 Y495 K500 D501 L502 | Y494-E498 WeakPolarHBondContact CE1-OE2 3.48Å; Y494-E498 PolarHBondContact O-N 2.89Å; Y495-E498 PolarHBondContact O-N 3.25Å; E498-K500 PolarHBondContact O-N 2.89Å; E498-D501 PolarHBondContact O-N 3.17Å; E498-L502 HydrophobicContact CG-CD1 4.18Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 WeakPolarHBondContact O-CG 3.24Å; E498-L502 PolarHBondContact O-N 2.86Å |
| 499 | V | 88.1 | Confident | 90.8 | Very high | 97 Ų | 97 | 102.1 Ų | 102.1 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -31 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 113.2 | Y495 K497 K503 | Y495-V499 WeakPolarHBondContact O-CB 3.5Å; Y495-V499 VanDerWaalsContact O-CG2 3.3Å; Y495-V499 WeakPolarHBondContact O-CG2 3.28Å; Y495-V499 PolarHBondContact O-N 3.37Å; K497-V499 VanDerWaalsContact C-N 3.27Å; K497-V499 PolarHBondContact O-N 2.95Å; V499-K503 VanDerWaalsContact O-CB 3.22Å; V499-K503 WeakPolarHBondContact O-CB 3.32Å; V499-K503 PolarHBondContact O-N 2.88Å; V499-K503 VanDerWaalsContact O-N 3.16Å |
| 500 | K | 91.2 | Very high | 90.8 | Very high | 119 Ų | 119 | 104 Ų | 104 | 52% | 0.517 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -72.1 | -45.3 | 172.9 | -72.9 | 176.5 | -165.5 | 86.9 | 0 | 110.9 | S496 K497 E498 K503 T504 | S496-K500 VanDerWaalsContact O-CG 3.29Å; S496-K500 WeakPolarHBondContact O-CG 3.48Å; S496-K500 PolarHBondContact O-NZ 3.04Å; S496-K500 PolarHBondContact OG-NZ 3.24Å; K497-K500 WeakPolarHBondContact O-CA 3.33Å; K497-K500 WeakPolarHBondContact O-CB 3.39Å; K497-K500 PolarHBondContact O-N 2.97Å; E498-K500 PolarHBondContact O-N 2.89Å; K500-K503 WeakPolarHBondContact O-CB 3.41Å; K500-K503 PolarHBondContact O-N 3.25Å; K500-K503 VanDerWaalsContact O-N 3.17Å; K500-T504 PolarHBondContact O-N 2.81Å |
| 501 | D | 90.7 | Very high | 90.9 | Very high | 83 Ų | 83 | 104.8 Ų | 104.8 | 44% | 0.444 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | -177.8 | -63.5 | -15.9 | 0 | 0 | 0 | 109.7 | K497 E498 K503 T504 E505 | K497-D501 WeakPolarHBondContact CE-OD2 3.19Å; K497-D501 PolarHBondContact O-N 2.91Å; E498-D501 PolarHBondContact O-N 3.17Å; D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 3.47Å; D501-T504 PolarHBondContact O-N 2.98Å; D501-T504 PolarHBondContact O-OG1 3.1Å; D501-E505 PolarHBondContact O-N 3.2Å |
| 502 | L | 92.3 | Very high | 91.1 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 51% | 0.513 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.6 | -35.4 | 172.4 | -72.6 | 170.6 | 0 | 0 | 0 | 113.4 | E498 E505 L506 | E498-L502 HydrophobicContact CG-CD1 4.18Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 WeakPolarHBondContact O-CG 3.24Å; E498-L502 PolarHBondContact O-N 2.86Å; L502-E505 PolarHBondContact O-N 3Å; L502-L506 WeakPolarHBondContact O-CB 3.38Å; L502-L506 PolarHBondContact O-N 3.11Å |
| 503 | K | 92 | Very high | 91 | Very high | 136 Ų | 136 | 105.4 Ų | 105.4 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -36.8 | 175.4 | -177.6 | 176.6 | 179 | 180 | 0 | 111.9 | V499 K500 D501 E507 | V499-K503 VanDerWaalsContact O-CB 3.22Å; V499-K503 WeakPolarHBondContact O-CB 3.32Å; V499-K503 PolarHBondContact O-N 2.88Å; V499-K503 VanDerWaalsContact O-N 3.16Å; K500-K503 WeakPolarHBondContact O-CB 3.41Å; K500-K503 PolarHBondContact O-N 3.25Å; K500-K503 VanDerWaalsContact O-N 3.17Å; D501-K503 VanDerWaalsContact C-N 3.28Å; D501-K503 PolarHBondContact O-N 3.47Å; K503-E507 PolarHBondContact O-N 3.29Å |
| 504 | T | 91.1 | Very high | 91 | Very high | 86 Ų | 86 | 103.7 Ų | 103.7 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 174.4 | 62.8 | 0 | 0 | 0 | 0 | 112.1 | K500 D501 L506 E507 N508 | K500-T504 PolarHBondContact O-N 2.81Å; D501-T504 PolarHBondContact O-N 2.98Å; D501-T504 PolarHBondContact O-OG1 3.1Å; T504-L506 PolarHBondContact O-N 3.44Å; T504-E507 PolarHBondContact O-N 2.87Å; T504-N508 VanDerWaalsContact O-CG 3.26Å; T504-N508 PolarHBondContact O-N 3.29Å; T504-N508 PolarHBondContact O-ND2 3.41Å |
| 505 | E | 92 | Very high | 91 | Very high | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -38.8 | 175.8 | -167.8 | 163.3 | -138.4 | 0 | 0 | 112 | D501 L502 N508 E509 | D501-E505 PolarHBondContact O-N 3.2Å; L502-E505 PolarHBondContact O-N 3Å; E505-N508 PolarHBondContact O-N 3.45Å; E505-E509 PolarHBondContact O-N 2.93Å |
| 506 | L | 91.1 | Very high | 91.1 | Very high | 102 Ų | 102 | 100.1 Ų | 100.1 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.8 | -179.6 | 62.2 | 0 | 0 | 0 | 113.3 | L502 T504 K510 | L502-L506 WeakPolarHBondContact O-CB 3.38Å; L502-L506 PolarHBondContact O-N 3.11Å; T504-L506 PolarHBondContact O-N 3.44Å; L506-K510 WeakPolarHBondContact O-CG 3.37Å; L506-K510 PolarHBondContact O-N 3.24Å; L506-K510 VanDerWaalsContact O-N 3.11Å |
| 507 | E | 90.8 | Very high | 91.1 | Very high | 89 Ų | 89 | 100.7 Ų | 100.7 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.9 | -34.1 | 174.4 | -61.1 | -51.8 | 144.4 | 0 | 0 | 112.2 | K503 T504 K510 L511 | K503-E507 PolarHBondContact O-N 3.29Å; T504-E507 PolarHBondContact O-N 2.87Å; E507-K510 WeakPolarHBondContact O-CB 3.41Å; E507-K510 PolarHBondContact O-N 3.27Å; E507-K510 IonicContact OE1-NZ 3.78Å; E507-K510 PolarHBondContact OE1-NZ 2.8Å; E507-K510 WeakPolarHBondContact OE2-CD 3.31Å; E507-K510 IonicContact OE2-NZ 2.6Å; E507-K510 PolarHBondContact OE2-NZ 2.92Å; E507-L511 PolarHBondContact O-N 3.47Å |
| 508 | N | 91 | Very high | 91 | Very high | 105 Ų | 105 | 97.5 Ų | 97.5 | 56% | 0.561 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 174.3 | -70.5 | -24.5 | 0 | 0 | 0 | 112 | T504 E505 K510 L511 K512 | T504-N508 VanDerWaalsContact O-CG 3.26Å; T504-N508 PolarHBondContact O-N 3.29Å; T504-N508 PolarHBondContact O-ND2 3.41Å; E505-N508 PolarHBondContact O-N 3.45Å; N508-K510 VanDerWaalsContact C-N 3.34Å; N508-K510 PolarHBondContact O-N 3.07Å; N508-L511 WeakPolarHBondContact O-CB 3.33Å; N508-L511 PolarHBondContact O-N 3.49Å; N508-K512 WeakPolarHBondContact O-CB 3.5Å; N508-K512 PolarHBondContact O-N 3.44Å |
| 509 | E | 88.9 | Confident | 91 | Very high | 98 Ų | 98 | 99.2 Ų | 99.2 | 46% | 0.458 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.1 | -29.6 | 177 | -72.5 | -60.4 | 127 | 0 | 0 | 112.7 | E505 K512 N513 | E505-E509 PolarHBondContact O-N 2.93Å; E509-K512 VanDerWaalsContact CD-NZ 3.26Å; E509-K512 VanDerWaalsContact OE1-CD 3.23Å; E509-K512 WeakPolarHBondContact OE1-CD 3.36Å; E509-K512 WeakPolarHBondContact OE1-CE 3.48Å; E509-K512 IonicContact OE1-NZ 3.64Å; E509-K512 PolarHBondContact OE1-NZ 3.49Å; E509-K512 VanDerWaalsContact OE2-CD 3.29Å; E509-K512 WeakPolarHBondContact OE2-CD 3.29Å; E509-K512 IonicContact OE2-NZ 3.21Å; E509-K512 PolarHBondContact OE2-NZ 3.08Å; E509-K512 VanDerWaalsContact OE2-NZ 3.1Å; E509-N513 VanDerWaalsContact O-CB 3.28Å; E509-N513 WeakPolarHBondContact O-CB 3.24Å; E509-N513 PolarHBondContact O-N 3.06Å |
| 510 | K | 90.6 | Very high | 91 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -47.3 | 167.9 | -77.7 | 165.6 | 174.6 | 178.3 | 0 | 111.7 | L506 E507 N508 K512 N513 T514 | L506-K510 WeakPolarHBondContact O-CG 3.37Å; L506-K510 PolarHBondContact O-N 3.24Å; L506-K510 VanDerWaalsContact O-N 3.11Å; E507-K510 WeakPolarHBondContact O-CB 3.41Å; E507-K510 PolarHBondContact O-N 3.27Å; E507-K510 IonicContact OE1-NZ 3.78Å; E507-K510 PolarHBondContact OE1-NZ 2.8Å; E507-K510 WeakPolarHBondContact OE2-CD 3.31Å; E507-K510 IonicContact OE2-NZ 2.6Å; E507-K510 PolarHBondContact OE2-NZ 2.92Å; N508-K510 VanDerWaalsContact C-N 3.34Å; N508-K510 PolarHBondContact O-N 3.07Å; K510-K512 PolarHBondContact O-N 3.24Å; K510-N513 WeakPolarHBondContact O-CB 3.4Å; K510-N513 PolarHBondContact O-N 3.33Å; K510-T514 PolarHBondContact O-N 2.84Å |
| 511 | L | 91.1 | Very high | 91 | Very high | 105 Ų | 105 | 97.8 Ų | 97.8 | 55% | 0.55 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 178.9 | -162.6 | 96.3 | 0 | 0 | 0 | 110.4 | E507 N508 N513 T514 E515 | E507-L511 PolarHBondContact O-N 3.47Å; N508-L511 WeakPolarHBondContact O-CB 3.33Å; N508-L511 PolarHBondContact O-N 3.49Å; L511-N513 VanDerWaalsContact C-N 3.3Å; L511-N513 PolarHBondContact O-N 3.01Å; L511-T514 CarbonylContact O-C 3.55Å; L511-T514 WeakPolarHBondContact O-CA 3.23Å; L511-T514 PolarHBondContact O-N 3.19Å; L511-T514 PolarHBondContact O-OG1 3.02Å; L511-E515 PolarHBondContact O-N 2.84Å |
| 512 | K | 92 | Very high | 91.2 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 176.5 | -164.2 | -169.4 | -169.6 | -173.2 | 0 | 113 | N508 E509 K510 E515 L516 | N508-K512 WeakPolarHBondContact O-CB 3.5Å; N508-K512 PolarHBondContact O-N 3.44Å; E509-K512 VanDerWaalsContact CD-NZ 3.26Å; E509-K512 VanDerWaalsContact OE1-CD 3.23Å; E509-K512 WeakPolarHBondContact OE1-CD 3.36Å; E509-K512 WeakPolarHBondContact OE1-CE 3.48Å; E509-K512 IonicContact OE1-NZ 3.64Å; E509-K512 PolarHBondContact OE1-NZ 3.49Å; E509-K512 VanDerWaalsContact OE2-CD 3.29Å; E509-K512 WeakPolarHBondContact OE2-CD 3.29Å; E509-K512 IonicContact OE2-NZ 3.21Å; E509-K512 PolarHBondContact OE2-NZ 3.08Å; E509-K512 VanDerWaalsContact OE2-NZ 3.1Å; K510-K512 PolarHBondContact O-N 3.24Å; K512-E515 PolarHBondContact O-N 2.67Å; K512-L516 WeakPolarHBondContact O-CB 3.38Å; K512-L516 WeakPolarHBondContact O-CG 3.45Å; K512-L516 PolarHBondContact O-N 3.04Å |
| 513 | N | 89.1 | Confident | 91 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -35.6 | 172.9 | -169.2 | 22.8 | 0 | 0 | 0 | 112.1 | E509 K510 L511 T517 | E509-N513 VanDerWaalsContact O-CB 3.28Å; E509-N513 WeakPolarHBondContact O-CB 3.24Å; E509-N513 PolarHBondContact O-N 3.06Å; K510-N513 WeakPolarHBondContact O-CB 3.4Å; K510-N513 PolarHBondContact O-N 3.33Å; L511-N513 VanDerWaalsContact C-N 3.3Å; L511-N513 PolarHBondContact O-N 3.01Å; N513-T517 WeakPolarHBondContact O-CB 3.47Å; N513-T517 PolarHBondContact O-N 3.21Å; N513-T517 PolarHBondContact O-OG1 3.33Å |
| 514 | T | 90.8 | Very high | 91 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69 | -36.6 | 171.6 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | K510 L511 T517 S518 | K510-T514 PolarHBondContact O-N 2.84Å; L511-T514 CarbonylContact O-C 3.55Å; L511-T514 WeakPolarHBondContact O-CA 3.23Å; L511-T514 PolarHBondContact O-N 3.19Å; L511-T514 PolarHBondContact O-OG1 3.02Å; T514-T517 PolarHBondContact O-N 3.02Å; T514-S518 PolarHBondContact O-N 3.34Å |
| 515 | E | 92.2 | Very high | 91 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 171.2 | -69.7 | -178.9 | 157.3 | 0 | 0 | 111.3 | L511 K512 T517 S518 H519 | L511-E515 PolarHBondContact O-N 2.84Å; K512-E515 PolarHBondContact O-N 2.67Å; E515-T517 VanDerWaalsContact C-N 3.3Å; E515-T517 PolarHBondContact O-N 2.87Å; E515-S518 WeakPolarHBondContact O-CA 3.37Å; E515-S518 WeakPolarHBondContact O-CB 3.2Å; E515-S518 PolarHBondContact O-N 2.75Å; E515-S518 PolarHBondContact O-OG 3.45Å; E515-H519 PolarHBondContact O-CD2 3.08Å; E515-H519 PolarHBondContact O-N 3.15Å |
| 516 | L | 91.3 | Very high | 91 | Very high | 103 Ų | 103 | 95.5 Ų | 95.5 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 175.1 | -76.9 | 167.9 | 0 | 0 | 0 | 112.1 | K512 S518 H519 C520 | K512-L516 WeakPolarHBondContact O-CB 3.38Å; K512-L516 WeakPolarHBondContact O-CG 3.45Å; K512-L516 PolarHBondContact O-N 3.04Å; L516-S518 VanDerWaalsContact C-N 3.33Å; L516-S518 PolarHBondContact O-N 2.85Å; L516-H519 PolarHBondContact O-N 3Å; L516-C520 PolarHBondContact O-N 2.82Å; L516-C520 PolarHBondContact O-SG 3.24Å; L516-C520 VanDerWaalsContact O-SG 3.37Å |
| 517 | T | 92.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 95.3 Ų | 95.3 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 174.1 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | N513 T514 E515 C520 N521 | N513-T517 WeakPolarHBondContact O-CB 3.47Å; N513-T517 PolarHBondContact O-N 3.21Å; N513-T517 PolarHBondContact O-OG1 3.33Å; T514-T517 PolarHBondContact O-N 3.02Å; E515-T517 VanDerWaalsContact C-N 3.3Å; E515-T517 PolarHBondContact O-N 2.87Å; T517-C520 PolarHBondContact O-N 3.31Å; T517-N521 WeakPolarHBondContact O-CB 3.46Å; T517-N521 VanDerWaalsContact O-CG 3.26Å; T517-N521 PolarHBondContact O-N 2.87Å; T517-N521 PolarHBondContact O-ND2 3.45Å |
| 518 | S | 91.3 | Very high | 90.8 | Very high | 67 Ų | 67 | 97.4 Ų | 97.4 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.3 | -39.2 | 175.5 | 83.1 | 0 | 0 | 0 | 0 | 112.3 | T514 E515 L516 N521 K522 | T514-S518 PolarHBondContact O-N 3.34Å; E515-S518 WeakPolarHBondContact O-CA 3.37Å; E515-S518 WeakPolarHBondContact O-CB 3.2Å; E515-S518 PolarHBondContact O-N 2.75Å; E515-S518 PolarHBondContact O-OG 3.45Å; L516-S518 VanDerWaalsContact C-N 3.33Å; L516-S518 PolarHBondContact O-N 2.85Å; S518-N521 PolarHBondContact O-N 3.46Å; S518-K522 WeakPolarHBondContact O-CB 3.46Å; S518-K522 PolarHBondContact O-N 3.19Å |
| 519 | H | 91.3 | Very high | 90.8 | Very high | 116 Ų | 116 | 98 Ų | 98 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 175 | -86 | -74.2 | 0 | 0 | 0 | 112.3 | E515 L516 N521 K522 L523 | E515-H519 PolarHBondContact O-CD2 3.08Å; E515-H519 PolarHBondContact O-N 3.15Å; L516-H519 PolarHBondContact O-N 3Å; H519-N521 VanDerWaalsContact C-N 3.34Å; H519-N521 PolarHBondContact O-N 3.01Å; H519-K522 PolarHBondContact O-N 2.82Å; H519-L523 WeakPolarHBondContact O-CB 3.24Å; H519-L523 WeakPolarHBondContact O-CG 3.46Å; H519-L523 PolarHBondContact O-N 2.76Å |
| 520 | C | 88 | Confident | 90.9 | Very high | 80 Ų | 80 | 97.3 Ų | 97.3 | 54% | 0.541 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.3 | -72.4 | 0 | 0 | 0 | 0 | 112 | L516 T517 L523 S524 | L516-C520 PolarHBondContact O-N 2.82Å; L516-C520 PolarHBondContact O-SG 3.24Å; L516-C520 VanDerWaalsContact O-SG 3.37Å; T517-C520 PolarHBondContact O-N 3.31Å; C520-L523 PolarHBondContact O-N 2.87Å; C520-S524 WeakPolarHBondContact O-CB 3.46Å; C520-S524 PolarHBondContact O-N 3.48Å |
| 521 | N | 91.9 | Very high | 90.6 | Very high | 107 Ų | 107 | 97.2 Ų | 97.2 | 57% | 0.572 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 175.9 | -72.5 | -22 | 0 | 0 | 0 | 111.9 | T517 S518 H519 S524 L525 | T517-N521 WeakPolarHBondContact O-CB 3.46Å; T517-N521 VanDerWaalsContact O-CG 3.26Å; T517-N521 PolarHBondContact O-N 2.87Å; T517-N521 PolarHBondContact O-ND2 3.45Å; S518-N521 PolarHBondContact O-N 3.46Å; H519-N521 VanDerWaalsContact C-N 3.34Å; H519-N521 PolarHBondContact O-N 3.01Å; N521-S524 PolarHBondContact O-N 2.85Å; N521-L525 PolarHBondContact O-N 3.1Å; N521-L525 VanDerWaalsContact O-N 3.14Å |
| 522 | K | 93.4 | Very high | 90.6 | Very high | 142 Ų | 142 | 97.1 Ų | 97.1 | 62% | 0.617 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -48.5 | 175.1 | -175.3 | 175.2 | 178.5 | 178.4 | 0 | 111.7 | S518 H519 S524 L525 E526 | S518-K522 WeakPolarHBondContact O-CB 3.46Å; S518-K522 PolarHBondContact O-N 3.19Å; H519-K522 PolarHBondContact O-N 2.82Å; K522-S524 PolarHBondContact O-N 3.48Å; K522-L525 WeakPolarHBondContact O-CB 3.24Å; K522-L525 PolarHBondContact O-N 3.33Å; K522-E526 PolarHBondContact O-N 3.21Å |
| 523 | L | 89.6 | Confident | 90.6 | Very high | 90 Ų | 90 | 97.8 Ų | 97.8 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.2 | -32.6 | 175.8 | -71.3 | 167.9 | 0 | 0 | 0 | 112 | H519 C520 L525 N527 | H519-L523 WeakPolarHBondContact O-CB 3.24Å; H519-L523 WeakPolarHBondContact O-CG 3.46Å; H519-L523 PolarHBondContact O-N 2.76Å; C520-L523 PolarHBondContact O-N 2.87Å; L523-L525 VanDerWaalsContact C-N 3.31Å; L523-L525 PolarHBondContact O-N 3.39Å; L523-N527 WeakPolarHBondContact O-CB 3.34Å; L523-N527 PolarHBondContact O-N 3Å; L523-N527 PolarHBondContact O-ND2 3.25Å |
| 524 | S | 90.8 | Very high | 90.4 | Very high | 56 Ų | 56 | 97.1 Ų | 97.1 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.5 | -26.2 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | C520 N521 K522 K528 | C520-S524 WeakPolarHBondContact O-CB 3.46Å; C520-S524 PolarHBondContact O-N 3.48Å; N521-S524 PolarHBondContact O-N 2.85Å; K522-S524 PolarHBondContact O-N 3.48Å; S524-K528 WeakPolarHBondContact O-CD 3.43Å; S524-K528 VanDerWaalsContact O-CG 3.3Å; S524-K528 WeakPolarHBondContact O-CG 3.49Å |
| 525 | L | 92.1 | Very high | 90.5 | Very high | 96 Ų | 96 | 95.4 Ų | 95.4 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.8 | -47.1 | 174.8 | -170.1 | 130.5 | 0 | 0 | 0 | 111 | N521 K522 L523 N527 K528 E529 | N521-L525 PolarHBondContact O-N 3.1Å; N521-L525 VanDerWaalsContact O-N 3.14Å; K522-L525 WeakPolarHBondContact O-CB 3.24Å; K522-L525 PolarHBondContact O-N 3.33Å; L523-L525 VanDerWaalsContact C-N 3.31Å; L523-L525 PolarHBondContact O-N 3.39Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 2.91Å; L525-K528 WeakPolarHBondContact O-CA 3.42Å; L525-K528 WeakPolarHBondContact O-CB 3.5Å; L525-K528 PolarHBondContact O-N 2.68Å; L525-E529 WeakPolarHBondContact CD2-OE1 3.43Å; L525-E529 PolarHBondContact O-N 3.41Å |
| 526 | E | 90.6 | Very high | 90.5 | Very high | 93 Ų | 93 | 94.2 Ų | 94.2 | 44% | 0.435 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.2 | -40.5 | 174.8 | -171.5 | 170.7 | -172.3 | 0 | 0 | 111.9 | K522 K528 E529 L530 | K522-E526 PolarHBondContact O-N 3.21Å; E526-K528 VanDerWaalsContact C-N 3.33Å; E526-K528 PolarHBondContact O-N 3.22Å; E526-E529 PolarHBondContact O-N 2.89Å; E526-L530 WeakPolarHBondContact O-CB 3.45Å; E526-L530 WeakPolarHBondContact O-CG 3.41Å; E526-L530 PolarHBondContact O-N 2.96Å |
| 527 | N | 88.3 | Confident | 90.5 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -31.3 | 172.1 | -85 | -75.9 | 0 | 0 | 0 | 113.6 | L523 L525 T531 | L523-N527 WeakPolarHBondContact O-CB 3.34Å; L523-N527 PolarHBondContact O-N 3Å; L523-N527 PolarHBondContact O-ND2 3.25Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 2.91Å; N527-T531 WeakPolarHBondContact O-CG2 3.44Å; N527-T531 PolarHBondContact O-N 3.46Å; N527-T531 PolarHBondContact O-OG1 3.29Å |
| 528 | K | 90.9 | Very high | 90.4 | Very high | 132 Ų | 132 | 95.2 Ų | 95.2 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.4 | -43.2 | 176.7 | -73.1 | 164 | -173.1 | 165.3 | 0 | 110.9 | S524 L525 E526 T531 Q532 | S524-K528 WeakPolarHBondContact O-CD 3.43Å; S524-K528 VanDerWaalsContact O-CG 3.3Å; S524-K528 WeakPolarHBondContact O-CG 3.49Å; L525-K528 WeakPolarHBondContact O-CA 3.42Å; L525-K528 WeakPolarHBondContact O-CB 3.5Å; L525-K528 PolarHBondContact O-N 2.68Å; E526-K528 VanDerWaalsContact C-N 3.33Å; E526-K528 PolarHBondContact O-N 3.22Å; K528-T531 WeakPolarHBondContact CA-OG1 3.34Å; K528-T531 PolarHBondContact O-N 2.86Å; K528-T531 PolarHBondContact O-OG1 2.98Å; K528-Q532 PolarHBondContact O-N 3.34Å |
| 529 | E | 90.7 | Very high | 90.4 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 174.6 | -68.6 | 169.9 | 157.6 | 0 | 0 | 110.4 | L525 E526 T531 Q532 E533 | L525-E529 WeakPolarHBondContact CD2-OE1 3.43Å; L525-E529 PolarHBondContact O-N 3.41Å; E526-E529 PolarHBondContact O-N 2.89Å; E529-T531 PolarHBondContact O-N 2.9Å; E529-Q532 WeakPolarHBondContact O-CB 3.4Å; E529-Q532 PolarHBondContact O-N 2.91Å; E529-Q532 VanDerWaalsContact O-N 3.08Å; E529-E533 WeakPolarHBondContact O-CB 3.47Å; E529-E533 PolarHBondContact O-N 3.27Å |
| 530 | L | 89.9 | Confident | 90.4 | Very high | 84 Ų | 84 | 96.7 Ų | 96.7 | 44% | 0.44 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 174 | -72.4 | 168.9 | 0 | 0 | 0 | 113.4 | E526 Q532 T534 | E526-L530 WeakPolarHBondContact O-CB 3.45Å; E526-L530 WeakPolarHBondContact O-CG 3.41Å; E526-L530 PolarHBondContact O-N 2.96Å; L530-Q532 VanDerWaalsContact C-N 3.35Å; L530-T534 VanDerWaalsContact O-CB 3.3Å; L530-T534 WeakPolarHBondContact O-CB 3.49Å; L530-T534 PolarHBondContact O-N 3.39Å; L530-T534 PolarHBondContact O-OG1 3.46Å |
| 531 | T | 85.9 | Confident | 90.5 | Very high | 97 Ų | 97 | 97.7 Ų | 97.7 | 60% | 0.595 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.3 | -31.4 | 174 | 50.7 | 0 | 0 | 0 | 0 | 113.3 | N527 K528 E529 S535 | N527-T531 WeakPolarHBondContact O-CG2 3.44Å; N527-T531 PolarHBondContact O-N 3.46Å; N527-T531 PolarHBondContact O-OG1 3.29Å; K528-T531 WeakPolarHBondContact CA-OG1 3.34Å; K528-T531 PolarHBondContact O-N 2.86Å; K528-T531 PolarHBondContact O-OG1 2.98Å; E529-T531 PolarHBondContact O-N 2.9Å; T531-S535 PolarHBondContact O-N 2.72Å; T531-S535 VanDerWaalsContact O-N 3.15Å |
| 532 | Q | 90.6 | Very high | 90.5 | Very high | 103 Ų | 103 | 99.1 Ų | 99.1 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -51.9 | 175.3 | -177.3 | 55.4 | 52.6 | 0 | 0 | 110.2 | K528 E529 L530 T534 S535 D536 | K528-Q532 PolarHBondContact O-N 3.34Å; E529-Q532 WeakPolarHBondContact O-CB 3.4Å; E529-Q532 PolarHBondContact O-N 2.91Å; E529-Q532 VanDerWaalsContact O-N 3.08Å; L530-Q532 VanDerWaalsContact C-N 3.35Å; Q532-T534 VanDerWaalsContact C-N 3.29Å; Q532-T534 PolarHBondContact O-N 2.86Å; Q532-S535 PolarHBondContact NE2-OG 3.49Å; Q532-S535 CarbonylContact O-C 3.57Å; Q532-S535 WeakPolarHBondContact O-CA 3.5Å; Q532-S535 WeakPolarHBondContact O-CB 3.23Å; Q532-S535 PolarHBondContact O-N 3.07Å; Q532-S535 PolarHBondContact O-OG 3.39Å; Q532-D536 PolarHBondContact NE2-OD1 3.31Å; Q532-D536 PolarHBondContact NE2-OD2 3.41Å; Q532-D536 PolarHBondContact O-N 2.97Å |
| 533 | E | 91.1 | Very high | 90.5 | Very high | 110 Ų | 110 | 96.3 Ų | 96.3 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -55 | -42.8 | 175.1 | -175.6 | -177.5 | -164.5 | 0 | 0 | 111.9 | E529 S535 D536 M537 | E529-E533 WeakPolarHBondContact O-CB 3.47Å; E529-E533 PolarHBondContact O-N 3.27Å; E533-S535 VanDerWaalsContact C-N 3.28Å; E533-S535 PolarHBondContact O-N 3.02Å; E533-D536 PolarHBondContact O-N 2.74Å; E533-M537 VanDerWaalsContact O-CB 3.25Å; E533-M537 WeakPolarHBondContact O-CB 3.38Å; E533-M537 PolarHBondContact O-N 3.18Å |
| 534 | T | 86.5 | Confident | 90.5 | Very high | 86 Ų | 86 | 96.5 Ų | 96.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 173.9 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | L530 Q532 T538 | L530-T534 VanDerWaalsContact O-CB 3.3Å; L530-T534 WeakPolarHBondContact O-CB 3.49Å; L530-T534 PolarHBondContact O-N 3.39Å; L530-T534 PolarHBondContact O-OG1 3.46Å; Q532-T534 VanDerWaalsContact C-N 3.29Å; Q532-T534 PolarHBondContact O-N 2.86Å; T534-T538 WeakPolarHBondContact O-CB 3.47Å; T534-T538 PolarHBondContact O-N 2.98Å; T534-T538 PolarHBondContact O-OG1 2.64Å |
| 535 | S | 92.3 | Very high | 90.4 | Very high | 54 Ų | 54 | 98.6 Ų | 98.6 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.2 | -38.4 | 178.5 | 82.2 | 0 | 0 | 0 | 0 | 112.6 | T531 Q532 E533 T538 L539 | T531-S535 PolarHBondContact O-N 2.72Å; T531-S535 VanDerWaalsContact O-N 3.15Å; Q532-S535 PolarHBondContact NE2-OG 3.49Å; Q532-S535 CarbonylContact O-C 3.57Å; Q532-S535 WeakPolarHBondContact O-CA 3.5Å; Q532-S535 WeakPolarHBondContact O-CB 3.23Å; Q532-S535 PolarHBondContact O-N 3.07Å; Q532-S535 PolarHBondContact O-OG 3.39Å; E533-S535 VanDerWaalsContact C-N 3.28Å; E533-S535 PolarHBondContact O-N 3.02Å; S535-T538 WeakPolarHBondContact O-CB 3.42Å; S535-T538 PolarHBondContact O-N 3.17Å; S535-L539 PolarHBondContact O-N 3.11Å |
| 536 | D | 92.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 99.3 Ų | 99.3 | 43% | 0.428 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -42.9 | 178 | -64.2 | -41.9 | 0 | 0 | 0 | 110.9 | Q532 E533 T538 L539 E540 | Q532-D536 PolarHBondContact NE2-OD1 3.31Å; Q532-D536 PolarHBondContact NE2-OD2 3.41Å; Q532-D536 PolarHBondContact O-N 2.97Å; E533-D536 PolarHBondContact O-N 2.74Å; D536-T538 VanDerWaalsContact C-N 3.28Å; D536-T538 PolarHBondContact O-N 2.92Å; D536-L539 WeakPolarHBondContact O-CB 3.42Å; D536-L539 PolarHBondContact O-N 3.49Å; D536-L539 VanDerWaalsContact O-N 3.09Å; D536-E540 PolarHBondContact O-N 3.32Å |
| 537 | M | 91.2 | Very high | 90.4 | Very high | 105 Ų | 105 | 99.5 Ų | 99.5 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -36.1 | 171.5 | -168.7 | -175.5 | -58.6 | 0 | 0 | 111.9 | E533 E540 L541 | E533-M537 VanDerWaalsContact O-CB 3.25Å; E533-M537 WeakPolarHBondContact O-CB 3.38Å; E533-M537 PolarHBondContact O-N 3.18Å; M537-E540 PolarHBondContact O-N 2.93Å; M537-L541 HydrophobicContact CG-CD1 4.5Å; M537-L541 WeakPolarHBondContact O-CB 3.38Å; M537-L541 VanDerWaalsContact O-CG 3.28Å; M537-L541 WeakPolarHBondContact O-CG 3.28Å; M537-L541 PolarHBondContact O-N 3.07Å |
| 538 | T | 89.6 | Confident | 90.6 | Very high | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.534 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 173.8 | -61.4 | 0 | 0 | 0 | 0 | 112 | T534 S535 D536 K542 | T534-T538 WeakPolarHBondContact O-CB 3.47Å; T534-T538 PolarHBondContact O-N 2.98Å; T534-T538 PolarHBondContact O-OG1 2.64Å; S535-T538 WeakPolarHBondContact O-CB 3.42Å; S535-T538 PolarHBondContact O-N 3.17Å; D536-T538 VanDerWaalsContact C-N 3.28Å; D536-T538 PolarHBondContact O-N 2.92Å; T538-K542 WeakPolarHBondContact O-CB 3.36Å; T538-K542 PolarHBondContact O-N 3.38Å |
| 539 | L | 92.7 | Very high | 90.7 | Very high | 94 Ų | 94 | 97 Ų | 97 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -43.4 | 174.3 | -179.2 | 63.7 | 0 | 0 | 0 | 111.4 | S535 D536 K542 N543 | S535-L539 PolarHBondContact O-N 3.11Å; D536-L539 WeakPolarHBondContact O-CB 3.42Å; D536-L539 PolarHBondContact O-N 3.49Å; D536-L539 VanDerWaalsContact O-N 3.09Å; L539-K542 WeakPolarHBondContact O-CB 3.41Å; L539-K542 PolarHBondContact O-N 3.43Å; L539-N543 VanDerWaalsContact O-CG 3.32Å; L539-N543 PolarHBondContact O-N 2.88Å; L539-N543 PolarHBondContact O-OD1 3.41Å |
| 540 | E | 90.9 | Very high | 90.9 | Very high | 119 Ų | 119 | 94.5 Ų | 94.5 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | 179.3 | -172.4 | 165.9 | -168.4 | 0 | 0 | 112.3 | D536 M537 K542 N543 Q544 | D536-E540 PolarHBondContact O-N 3.32Å; M537-E540 PolarHBondContact O-N 2.93Å; E540-K542 PolarHBondContact O-N 3.33Å; E540-N543 PolarHBondContact O-N 3.31Å; E540-N543 VanDerWaalsContact O-N 3.1Å; E540-Q544 WeakPolarHBondContact O-CG 3.4Å; E540-Q544 PolarHBondContact O-N 2.91Å |
| 541 | L | 90.1 | Very high | 90.9 | Very high | 102 Ų | 102 | 95.4 Ų | 95.4 | 53% | 0.534 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57 | -36.2 | 171.1 | -75.8 | 170.2 | 0 | 0 | 0 | 112.2 | M537 Q545 | M537-L541 HydrophobicContact CG-CD1 4.5Å; M537-L541 WeakPolarHBondContact O-CB 3.38Å; M537-L541 VanDerWaalsContact O-CG 3.28Å; M537-L541 WeakPolarHBondContact O-CG 3.28Å; M537-L541 PolarHBondContact O-N 3.07Å; L541-Q545 VanDerWaalsContact O-CB 3.3Å; L541-Q545 WeakPolarHBondContact O-CB 3.46Å; L541-Q545 PolarHBondContact O-N 3.37Å |
| 542 | K | 91.8 | Very high | 91.1 | Very high | 137 Ų | 137 | 96.2 Ų | 96.2 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.1 | -40.3 | 176 | -172.7 | -172.6 | 173.8 | -165.6 | 0 | 112 | T538 L539 E540 Q545 E546 | T538-K542 WeakPolarHBondContact O-CB 3.36Å; T538-K542 PolarHBondContact O-N 3.38Å; L539-K542 WeakPolarHBondContact O-CB 3.41Å; L539-K542 PolarHBondContact O-N 3.43Å; E540-K542 PolarHBondContact O-N 3.33Å; K542-Q545 PolarHBondContact O-N 3.26Å; K542-E546 PolarHBondContact O-N 2.84Å |
| 543 | N | 92.2 | Very high | 91.2 | Very high | 82 Ų | 82 | 95.9 Ų | 95.9 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -49 | 175.6 | -64.1 | -16.8 | 0 | 0 | 0 | 110.8 | L539 E540 Q545 E546 D547 | L539-N543 VanDerWaalsContact O-CG 3.32Å; L539-N543 PolarHBondContact O-N 2.88Å; L539-N543 PolarHBondContact O-OD1 3.41Å; E540-N543 PolarHBondContact O-N 3.31Å; E540-N543 VanDerWaalsContact O-N 3.1Å; N543-Q545 VanDerWaalsContact C-N 3.26Å; N543-Q545 PolarHBondContact O-N 3.33Å; N543-E546 WeakPolarHBondContact O-CA 3.5Å; N543-E546 PolarHBondContact O-N 3.42Å; N543-D547 PolarHBondContact O-N 3.31Å |
| 544 | Q | 90 | Very high | 91.1 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -57.5 | -38.8 | 175 | -67.5 | 177 | 12.7 | 0 | 0 | 111.9 | E540 E546 D547 I548 | E540-Q544 WeakPolarHBondContact O-CG 3.4Å; E540-Q544 PolarHBondContact O-N 2.91Å; Q544-E546 VanDerWaalsContact C-N 3.34Å; Q544-E546 PolarHBondContact O-N 2.91Å; Q544-D547 PolarHBondContact O-N 2.88Å; Q544-I548 WeakPolarHBondContact O-CD1 3.24Å; Q544-I548 VanDerWaalsContact O-CG1 3.26Å; Q544-I548 WeakPolarHBondContact O-CG1 3.46Å; Q544-I548 PolarHBondContact O-N 3.46Å |
| 545 | Q | 89.4 | Confident | 91.1 | Very high | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.7 | -32.3 | 174.9 | -178.5 | 59.5 | 96.2 | 0 | 0 | 112.7 | L541 K542 N543 N549 | L541-Q545 VanDerWaalsContact O-CB 3.3Å; L541-Q545 WeakPolarHBondContact O-CB 3.46Å; L541-Q545 PolarHBondContact O-N 3.37Å; K542-Q545 PolarHBondContact O-N 3.26Å; N543-Q545 VanDerWaalsContact C-N 3.26Å; N543-Q545 PolarHBondContact O-N 3.33Å; Q545-N549 PolarHBondContact NE2-ND2 3.33Å; Q545-N549 PolarHBondContact O-N 2.91Å; Q545-N549 PolarHBondContact O-ND2 2.92Å |
| 546 | E | 91.1 | Very high | 91 | Very high | 112 Ų | 112 | 98.4 Ų | 98.4 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.3 | -40.2 | 173.1 | -174.6 | 148.3 | -165.5 | 0 | 0 | 112 | K542 N543 Q544 N549 N550 | K542-E546 PolarHBondContact O-N 2.84Å; N543-E546 WeakPolarHBondContact O-CA 3.5Å; N543-E546 PolarHBondContact O-N 3.42Å; Q544-E546 VanDerWaalsContact C-N 3.34Å; Q544-E546 PolarHBondContact O-N 2.91Å; E546-N549 CarbonylContact O-C 3.56Å; E546-N549 WeakPolarHBondContact O-CB 3.47Å; E546-N549 PolarHBondContact O-N 2.87Å; E546-N549 VanDerWaalsContact O-N 3.13Å; E546-N550 PolarHBondContact O-N 3.01Å; E546-N550 PolarHBondContact O-ND2 3.48Å |
| 547 | D | 92 | Very high | 91 | Very high | 96 Ų | 96 | 102 Ų | 102 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 173.5 | -74.3 | -31.7 | 0 | 0 | 0 | 112.5 | N543 Q544 N549 N550 N551 | N543-D547 PolarHBondContact O-N 3.31Å; Q544-D547 PolarHBondContact O-N 2.88Å; D547-N549 VanDerWaalsContact C-N 3.28Å; D547-N549 PolarHBondContact O-N 2.97Å; D547-N550 PolarHBondContact O-N 3.2Å; D547-N550 VanDerWaalsContact O-N 3.11Å; D547-N551 WeakPolarHBondContact O-CB 3.23Å; D547-N551 PolarHBondContact O-N 2.96Å; D547-N551 PolarHBondContact O-ND2 3.11Å |
| 548 | I | 91.9 | Very high | 90.7 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.1 | -43 | 171.7 | -71.9 | 164.5 | 0 | 0 | 0 | 110.8 | Q544 N550 K552 | Q544-I548 WeakPolarHBondContact O-CD1 3.24Å; Q544-I548 VanDerWaalsContact O-CG1 3.26Å; Q544-I548 WeakPolarHBondContact O-CG1 3.46Å; Q544-I548 PolarHBondContact O-N 3.46Å; I548-N550 VanDerWaalsContact C-N 3.33Å; I548-N550 PolarHBondContact O-N 3.48Å; I548-K552 WeakPolarHBondContact O-CB 3.45Å; I548-K552 PolarHBondContact O-N 3.48Å |
| 549 | N | 93.2 | Very high | 90.7 | Very high | 77 Ų | 77 | 101.9 Ų | 101.9 | 41% | 0.412 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.9 | -31 | 177.1 | -77.2 | -46.4 | 0 | 0 | 0 | 112.8 | Q545 E546 D547 K553 | Q545-N549 PolarHBondContact NE2-ND2 3.33Å; Q545-N549 PolarHBondContact O-N 2.91Å; Q545-N549 PolarHBondContact O-ND2 2.92Å; E546-N549 CarbonylContact O-C 3.56Å; E546-N549 WeakPolarHBondContact O-CB 3.47Å; E546-N549 PolarHBondContact O-N 2.87Å; E546-N549 VanDerWaalsContact O-N 3.13Å; D547-N549 VanDerWaalsContact C-N 3.28Å; D547-N549 PolarHBondContact O-N 2.97Å; N549-K553 WeakPolarHBondContact O-CD 3.41Å; N549-K553 WeakPolarHBondContact O-CE 3.41Å; N549-K553 VanDerWaalsContact O-CG 3.24Å; N549-K553 WeakPolarHBondContact O-CG 3.44Å; N549-K553 PolarHBondContact O-N 2.93Å |
| 550 | N | 93.9 | Very high | 90.6 | Very high | 65 Ų | 65 | 103.2 Ų | 103.2 | 35% | 0.348 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -77.8 | -41.2 | 177.1 | -69.9 | -31.1 | 0 | 0 | 0 | 112.1 | E546 D547 I548 K552 K553 Q554 | E546-N550 PolarHBondContact O-N 3.01Å; E546-N550 PolarHBondContact O-ND2 3.48Å; D547-N550 PolarHBondContact O-N 3.2Å; D547-N550 VanDerWaalsContact O-N 3.11Å; I548-N550 VanDerWaalsContact C-N 3.33Å; I548-N550 PolarHBondContact O-N 3.48Å; N550-K552 VanDerWaalsContact C-N 3.34Å; N550-K552 PolarHBondContact O-N 2.88Å; N550-K553 WeakPolarHBondContact O-CB 3.41Å; N550-K553 PolarHBondContact O-N 2.93Å; N550-K553 PolarHBondContact OD1-NZ 3Å; N550-Q554 PolarHBondContact O-N 3.27Å; N550-Q554 VanDerWaalsContact O-N 3.11Å |
| 551 | N | 90.9 | Very high | 90.5 | Very high | 103 Ų | 103 | 103.3 Ų | 103.3 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | 171.6 | -74.5 | -35.8 | 0 | 0 | 0 | 111.4 | D547 K553 Q554 E555 | D547-N551 WeakPolarHBondContact O-CB 3.23Å; D547-N551 PolarHBondContact O-N 2.96Å; D547-N551 PolarHBondContact O-ND2 3.11Å; N551-K553 PolarHBondContact O-N 3.34Å; N551-Q554 CarbonylContact O-C 3.54Å; N551-Q554 WeakPolarHBondContact O-CA 3.46Å; N551-Q554 WeakPolarHBondContact O-CB 3.33Å; N551-Q554 PolarHBondContact O-N 2.95Å; N551-E555 PolarHBondContact O-N 3.2Å |
| 552 | K | 90.8 | Very high | 90.4 | Very high | 114 Ų | 114 | 103 Ų | 103 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.3 | -173.7 | 174.3 | 178.6 | 178.1 | 0 | 113 | I548 N550 Q554 E555 E556 | I548-K552 WeakPolarHBondContact O-CB 3.45Å; I548-K552 PolarHBondContact O-N 3.48Å; N550-K552 VanDerWaalsContact C-N 3.34Å; N550-K552 PolarHBondContact O-N 2.88Å; K552-Q554 PolarHBondContact O-N 3.36Å; K552-E555 WeakPolarHBondContact O-CB 3.32Å; K552-E555 PolarHBondContact O-N 2.93Å; K552-E556 WeakPolarHBondContact O-CG 3.46Å; K552-E556 PolarHBondContact O-N 3.26Å |
| 553 | K | 90.8 | Very high | 90.2 | Very high | 97 Ų | 97 | 102 Ų | 102 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -25.8 | 172.7 | -67 | 162.9 | -157 | 161.6 | 0 | 112.6 | N549 N550 N551 R557 | N549-K553 WeakPolarHBondContact O-CD 3.41Å; N549-K553 WeakPolarHBondContact O-CE 3.41Å; N549-K553 VanDerWaalsContact O-CG 3.24Å; N549-K553 WeakPolarHBondContact O-CG 3.44Å; N549-K553 PolarHBondContact O-N 2.93Å; N550-K553 WeakPolarHBondContact O-CB 3.41Å; N550-K553 PolarHBondContact O-N 2.93Å; N550-K553 PolarHBondContact OD1-NZ 3Å; N551-K553 PolarHBondContact O-N 3.34Å; K553-R557 VanDerWaalsContact O-CG 3.32Å; K553-R557 WeakPolarHBondContact O-CG 3.39Å; K553-R557 PolarHBondContact O-NE 3Å |
| 554 | Q | 89.2 | Confident | 90.1 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 48% | 0.481 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -81.3 | -40.7 | 175.2 | 179.5 | 166.5 | -35.6 | 0 | 0 | 111.6 | N550 N551 K552 E556 R557 M558 | N550-Q554 PolarHBondContact O-N 3.27Å; N550-Q554 VanDerWaalsContact O-N 3.11Å; N551-Q554 CarbonylContact O-C 3.54Å; N551-Q554 WeakPolarHBondContact O-CA 3.46Å; N551-Q554 WeakPolarHBondContact O-CB 3.33Å; N551-Q554 PolarHBondContact O-N 2.95Å; K552-Q554 PolarHBondContact O-N 3.36Å; Q554-E556 VanDerWaalsContact C-N 3.35Å; Q554-E556 PolarHBondContact O-N 2.95Å; Q554-R557 WeakPolarHBondContact O-CB 3.42Å; Q554-R557 PolarHBondContact O-N 3.44Å; Q554-R557 VanDerWaalsContact O-N 3.08Å; Q554-M558 HydrophobicContact CG-CE 4.38Å; Q554-M558 WeakPolarHBondContact O-CG 3.29Å; Q554-M558 PolarHBondContact O-N 3.36Å |
| 555 | E | 87.2 | Confident | 90.1 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 170.8 | -172.4 | -179.8 | -167 | 0 | 0 | 111.4 | N551 K552 R557 M558 L559 | N551-E555 PolarHBondContact O-N 3.2Å; K552-E555 WeakPolarHBondContact O-CB 3.32Å; K552-E555 PolarHBondContact O-N 2.93Å; E555-R557 PolarHBondContact O-N 3.43Å; E555-M558 PolarHBondContact O-N 2.96Å; E555-M558 VanDerWaalsContact O-N 3.1Å; E555-L559 HydrophobicContact CG-CD1 4.2Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.39Å |
| 556 | E | 89.3 | Confident | 89.9 | Confident | 93 Ų | 93 | 104.4 Ų | 104.4 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -26.3 | 175.4 | -73.5 | 178.2 | -162.3 | 0 | 0 | 114.1 | K552 Q554 K560 | K552-E556 WeakPolarHBondContact O-CG 3.46Å; K552-E556 PolarHBondContact O-N 3.26Å; Q554-E556 VanDerWaalsContact C-N 3.35Å; Q554-E556 PolarHBondContact O-N 2.95Å; E556-K560 WeakPolarHBondContact O-CD 3.38Å; E556-K560 WeakPolarHBondContact O-CG 3.28Å; E556-K560 PolarHBondContact O-N 2.97Å |
| 557 | R | 92.2 | Very high | 89.8 | Confident | 154 Ų | 154 | 104.5 Ų | 104.5 | 58% | 0.581 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -77.4 | -42.7 | 172.7 | -65.9 | 166.9 | -158.7 | 162 | 3.8 | 111.3 | K553 Q554 E555 K560 Q561 | K553-R557 VanDerWaalsContact O-CG 3.32Å; K553-R557 WeakPolarHBondContact O-CG 3.39Å; K553-R557 PolarHBondContact O-NE 3Å; Q554-R557 WeakPolarHBondContact O-CB 3.42Å; Q554-R557 PolarHBondContact O-N 3.44Å; Q554-R557 VanDerWaalsContact O-N 3.08Å; E555-R557 PolarHBondContact O-N 3.43Å; R557-K560 PolarHBondContact O-N 2.97Å; R557-Q561 WeakPolarHBondContact O-CG 3.38Å; R557-Q561 PolarHBondContact O-N 3.48Å |
| 558 | M | 85.9 | Confident | 89.6 | Confident | 90 Ų | 90 | 103 Ų | 103 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 178.3 | -66.5 | -173.4 | -60.3 | 0 | 0 | 111.1 | Q554 E555 K560 Q561 I562 | Q554-M558 HydrophobicContact CG-CE 4.38Å; Q554-M558 WeakPolarHBondContact O-CG 3.29Å; Q554-M558 PolarHBondContact O-N 3.36Å; E555-M558 PolarHBondContact O-N 2.96Å; E555-M558 VanDerWaalsContact O-N 3.1Å; M558-K560 PolarHBondContact O-N 3.36Å; M558-Q561 WeakPolarHBondContact O-CB 3.17Å; M558-Q561 PolarHBondContact O-N 2.62Å; M558-Q561 VanDerWaalsContact O-N 3.15Å; M558-I562 VanDerWaalsContact O-CG1 3.31Å; M558-I562 WeakPolarHBondContact O-CG1 3.3Å; M558-I562 PolarHBondContact O-N 2.98Å |
| 559 | L | 90 | Very high | 89.4 | Confident | 100 Ų | 100 | 102.6 Ų | 102.6 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 173.7 | -73.4 | 169.7 | 0 | 0 | 0 | 112 | E555 Q561 I562 E563 | E555-L559 HydrophobicContact CG-CD1 4.2Å; E555-L559 WeakPolarHBondContact O-CG 3.36Å; E555-L559 PolarHBondContact O-N 3.39Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.68Å; L559-I562 PolarHBondContact O-N 3.09Å; L559-E563 WeakPolarHBondContact O-CB 3.25Å; L559-E563 PolarHBondContact O-N 3.4Å |
| 560 | K | 90.4 | Very high | 89.2 | Confident | 122 Ų | 122 | 102.3 Ų | 102.3 | 53% | 0.53 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.3 | -31.9 | 174.7 | -72.9 | 169.2 | -178.5 | 166.1 | 0 | 113.2 | E556 R557 M558 N564 | E556-K560 WeakPolarHBondContact O-CD 3.38Å; E556-K560 WeakPolarHBondContact O-CG 3.28Å; E556-K560 PolarHBondContact O-N 2.97Å; R557-K560 PolarHBondContact O-N 2.97Å; M558-K560 PolarHBondContact O-N 3.36Å; K560-N564 WeakPolarHBondContact O-CB 3.32Å; K560-N564 PolarHBondContact O-N 3.01Å; K560-N564 VanDerWaalsContact O-N 3.07Å; K560-N564 PolarHBondContact O-ND2 2.72Å; K560-N564 PolarHBondContact O-OD1 3.46Å |
| 561 | Q | 88.8 | Confident | 88.9 | Confident | 122 Ų | 122 | 104.3 Ų | 104.3 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | 172 | -73.3 | 175.4 | -24.3 | 0 | 0 | 111.8 | R557 M558 L559 L565 | R557-Q561 WeakPolarHBondContact O-CG 3.38Å; R557-Q561 PolarHBondContact O-N 3.48Å; M558-Q561 WeakPolarHBondContact O-CB 3.17Å; M558-Q561 PolarHBondContact O-N 2.62Å; M558-Q561 VanDerWaalsContact O-N 3.15Å; L559-Q561 VanDerWaalsContact C-N 3.33Å; L559-Q561 PolarHBondContact O-N 2.68Å; Q561-L565 WeakPolarHBondContact O-CB 3.33Å; Q561-L565 VanDerWaalsContact O-CG 3.24Å; Q561-L565 WeakPolarHBondContact O-CG 3.48Å; Q561-L565 PolarHBondContact O-N 3.02Å |
| 562 | I | 86.9 | Confident | 88.9 | Confident | 95 Ų | 95 | 104.1 Ų | 104.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 174.9 | -68.3 | 162.5 | 0 | 0 | 0 | 110.6 | M558 L559 L565 Q566 | M558-I562 VanDerWaalsContact O-CG1 3.31Å; M558-I562 WeakPolarHBondContact O-CG1 3.3Å; M558-I562 PolarHBondContact O-N 2.98Å; L559-I562 PolarHBondContact O-N 3.09Å; I562-L565 PolarHBondContact O-N 3Å; I562-Q566 VanDerWaalsContact O-CB 3.28Å; I562-Q566 WeakPolarHBondContact O-CB 3.5Å; I562-Q566 PolarHBondContact O-N 3.35Å |
| 563 | E | 89.1 | Confident | 88.7 | Confident | 116 Ų | 116 | 105.9 Ų | 105.9 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 175.5 | -174.2 | 170.1 | -138.9 | 0 | 0 | 111.3 | L559 L565 Q566 E567 | L559-E563 WeakPolarHBondContact O-CB 3.25Å; L559-E563 PolarHBondContact O-N 3.4Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.86Å; E563-Q566 WeakPolarHBondContact O-CB 3.42Å; E563-Q566 PolarHBondContact O-N 3.01Å; E563-Q566 VanDerWaalsContact O-N 3.17Å; E563-E567 PolarHBondContact O-N 3.47Å |
| 564 | N | 89.3 | Confident | 88.6 | Confident | 98 Ų | 98 | 106.7 Ų | 106.7 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.6 | -42.3 | 175 | -67.8 | -13.6 | 0 | 0 | 0 | 112.8 | K560 Q566 E567 T568 | K560-N564 WeakPolarHBondContact O-CB 3.32Å; K560-N564 PolarHBondContact O-N 3.01Å; K560-N564 VanDerWaalsContact O-N 3.07Å; K560-N564 PolarHBondContact O-ND2 2.72Å; K560-N564 PolarHBondContact O-OD1 3.46Å; N564-Q566 VanDerWaalsContact C-N 3.35Å; N564-E567 PolarHBondContact O-N 3.49Å; N564-T568 PolarHBondContact O-N 3.16Å; N564-T568 VanDerWaalsContact O-N 3.11Å |
| 565 | L | 89.8 | Confident | 88.7 | Confident | 114 Ų | 114 | 107.5 Ų | 107.5 | 60% | 0.597 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.5 | -39.9 | 177.4 | -76.3 | 168.7 | 0 | 0 | 0 | 111.3 | Q561 I562 E563 T568 E569 | Q561-L565 WeakPolarHBondContact O-CB 3.33Å; Q561-L565 VanDerWaalsContact O-CG 3.24Å; Q561-L565 WeakPolarHBondContact O-CG 3.48Å; Q561-L565 PolarHBondContact O-N 3.02Å; I562-L565 PolarHBondContact O-N 3Å; E563-L565 VanDerWaalsContact C-N 3.35Å; E563-L565 PolarHBondContact O-N 2.86Å; L565-T568 PolarHBondContact O-N 3.39Å; L565-T568 PolarHBondContact O-OG1 3.29Å; L565-E569 PolarHBondContact O-N 3.3Å |
| 566 | Q | 85.1 | Confident | 88.7 | Confident | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 177.6 | -167.9 | 172.5 | -5.4 | 0 | 0 | 111.4 | I562 E563 N564 E569 T570 | I562-Q566 VanDerWaalsContact O-CB 3.28Å; I562-Q566 WeakPolarHBondContact O-CB 3.5Å; I562-Q566 PolarHBondContact O-N 3.35Å; E563-Q566 WeakPolarHBondContact O-CB 3.42Å; E563-Q566 PolarHBondContact O-N 3.01Å; E563-Q566 VanDerWaalsContact O-N 3.17Å; N564-Q566 VanDerWaalsContact C-N 3.35Å; Q566-E569 WeakPolarHBondContact O-CB 3.48Å; Q566-E569 PolarHBondContact O-N 3.03Å; Q566-T570 WeakPolarHBondContact O-CG2 3.46Å; Q566-T570 PolarHBondContact O-N 3.14Å |
| 567 | E | 89.9 | Confident | 88.8 | Confident | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 168.1 | -70.6 | -165.4 | 156.1 | 0 | 0 | 111.5 | E563 N564 E569 T570 Q571 | E563-E567 PolarHBondContact O-N 3.47Å; N564-E567 PolarHBondContact O-N 3.49Å; E567-E569 VanDerWaalsContact C-N 3.27Å; E567-E569 PolarHBondContact O-N 3.45Å; E567-T570 PolarHBondContact O-N 3.45Å; E567-T570 VanDerWaalsContact O-N 3.07Å; E567-T570 PolarHBondContact O-OG1 2.89Å; E567-Q571 WeakPolarHBondContact O-CG 3.47Å; E567-Q571 PolarHBondContact O-N 3.4Å |
| 568 | T | 86.6 | Confident | 88.8 | Confident | 64 Ų | 64 | 108.6 Ų | 108.6 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 177.2 | 63.2 | 0 | 0 | 0 | 0 | 113 | N564 L565 Q571 L572 | N564-T568 PolarHBondContact O-N 3.16Å; N564-T568 VanDerWaalsContact O-N 3.11Å; L565-T568 PolarHBondContact O-N 3.39Å; L565-T568 PolarHBondContact O-OG1 3.29Å; T568-Q571 PolarHBondContact O-N 3.41Å; T568-L572 WeakPolarHBondContact O-CG 3.39Å; T568-L572 PolarHBondContact O-N 2.84Å |
| 569 | E | 89.2 | Confident | 89.1 | Confident | 91 Ų | 91 | 107.6 Ų | 107.6 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 172.8 | -161.9 | -160.4 | 152.7 | 0 | 0 | 111.2 | L565 Q566 E567 L572 R573 | L565-E569 PolarHBondContact O-N 3.3Å; Q566-E569 WeakPolarHBondContact O-CB 3.48Å; Q566-E569 PolarHBondContact O-N 3.03Å; E567-E569 VanDerWaalsContact C-N 3.27Å; E567-E569 PolarHBondContact O-N 3.45Å; E569-L572 PolarHBondContact O-N 3.18Å; E569-R573 WeakPolarHBondContact O-CB 3.4Å; E569-R573 WeakPolarHBondContact O-CG 3.28Å; E569-R573 PolarHBondContact O-N 3.5Å; E569-R573 IonicContact OE1-CZ 2.65Å; E569-R573 IonicContact OE1-NE 2.62Å; E569-R573 PolarHBondContact OE1-NE 3.12Å; E569-R573 IonicContact OE1-NH2 3.42Å; E569-R573 PolarHBondContact OE1-NH2 3.42Å |
| 570 | T | 87.3 | Confident | 89 | Confident | 72 Ų | 72 | 109.8 Ų | 109.8 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 175.5 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | Q566 E567 R573 N574 | Q566-T570 WeakPolarHBondContact O-CG2 3.46Å; Q566-T570 PolarHBondContact O-N 3.14Å; E567-T570 PolarHBondContact O-N 3.45Å; E567-T570 VanDerWaalsContact O-N 3.07Å; E567-T570 PolarHBondContact O-OG1 2.89Å; T570-R573 PolarHBondContact O-N 2.92Å; T570-N574 PolarHBondContact O-N 2.89Å; T570-N574 PolarHBondContact O-ND2 3.4Å; T570-N574 VanDerWaalsContact O-ND2 3.16Å |
| 571 | Q | 88.7 | Confident | 89 | Confident | 107 Ų | 107 | 108.2 Ų | 108.2 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -51.6 | 175 | -67.5 | 169.6 | 12.9 | 0 | 0 | 110.9 | E567 T568 R573 N574 E575 | E567-Q571 WeakPolarHBondContact O-CG 3.47Å; E567-Q571 PolarHBondContact O-N 3.4Å; T568-Q571 PolarHBondContact O-N 3.41Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 3.39Å; Q571-N574 WeakPolarHBondContact O-CB 3.42Å; Q571-N574 PolarHBondContact O-N 2.88Å; Q571-N574 VanDerWaalsContact O-N 3.09Å; Q571-E575 PolarHBondContact O-N 3.36Å |
| 572 | L | 90.6 | Very high | 89.1 | Confident | 99 Ų | 99 | 106.8 Ų | 106.8 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -34.6 | 176.9 | -69.7 | 170.6 | 0 | 0 | 0 | 112.9 | T568 E569 E575 L576 | T568-L572 WeakPolarHBondContact O-CG 3.39Å; T568-L572 PolarHBondContact O-N 2.84Å; E569-L572 PolarHBondContact O-N 3.18Å; L572-E575 PolarHBondContact O-N 2.92Å; L572-L576 WeakPolarHBondContact O-CB 3.49Å; L572-L576 VanDerWaalsContact O-CG 3.28Å; L572-L576 WeakPolarHBondContact O-CG 3.4Å; L572-L576 PolarHBondContact O-N 2.85Å |
| 573 | R | 87 | Confident | 89.1 | Confident | 150 Ų | 150 | 107.6 Ų | 107.6 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 172.6 | -77.2 | 169.2 | 176.1 | -84.1 | 1.8 | 112.1 | E569 T570 Q571 L576 E577 | E569-R573 WeakPolarHBondContact O-CB 3.4Å; E569-R573 WeakPolarHBondContact O-CG 3.28Å; E569-R573 PolarHBondContact O-N 3.5Å; E569-R573 IonicContact OE1-CZ 2.65Å; E569-R573 IonicContact OE1-NE 2.62Å; E569-R573 PolarHBondContact OE1-NE 3.12Å; E569-R573 IonicContact OE1-NH2 3.42Å; E569-R573 PolarHBondContact OE1-NH2 3.42Å; T570-R573 PolarHBondContact O-N 2.92Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 3.39Å; R573-L576 PolarHBondContact O-N 2.88Å; R573-E577 PolarHBondContact O-N 2.8Å |
| 574 | N | 89.4 | Confident | 89 | Confident | 114 Ų | 114 | 106.2 Ų | 106.2 | 61% | 0.61 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -40.3 | 177.2 | -66.7 | -26.3 | 0 | 0 | 0 | 111.6 | T570 Q571 E577 Y578 | T570-N574 PolarHBondContact O-N 2.89Å; T570-N574 PolarHBondContact O-ND2 3.4Å; T570-N574 VanDerWaalsContact O-ND2 3.16Å; Q571-N574 WeakPolarHBondContact O-CB 3.42Å; Q571-N574 PolarHBondContact O-N 2.88Å; Q571-N574 VanDerWaalsContact O-N 3.09Å; N574-E577 PolarHBondContact O-N 2.81Å; N574-Y578 PolarHBondContact O-N 2.77Å |
| 575 | E | 91.1 | Very high | 89 | Confident | 121 Ų | 121 | 108 Ų | 108 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 173.2 | -70.5 | 179 | -176.1 | 0 | 0 | 112.1 | Q571 L572 E577 Y578 V579 | Q571-E575 PolarHBondContact O-N 3.36Å; L572-E575 PolarHBondContact O-N 2.92Å; E575-E577 VanDerWaalsContact C-N 3.33Å; E575-E577 PolarHBondContact O-N 2.91Å; E575-Y578 WeakPolarHBondContact O-CB 3.35Å; E575-Y578 PolarHBondContact O-N 2.94Å; E575-V579 WeakPolarHBondContact O-CG2 3.49Å; E575-V579 PolarHBondContact O-N 3.42Å |
| 576 | L | 86.6 | Confident | 88.9 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.8 | -35.3 | 176 | -76 | 170.4 | 0 | 0 | 0 | 112.9 | L572 R573 R580 | L572-L576 WeakPolarHBondContact O-CB 3.49Å; L572-L576 VanDerWaalsContact O-CG 3.28Å; L572-L576 WeakPolarHBondContact O-CG 3.4Å; L572-L576 PolarHBondContact O-N 2.85Å; R573-L576 PolarHBondContact O-N 2.88Å; L576-R580 WeakPolarHBondContact O-CB 3.21Å; L576-R580 PolarHBondContact O-N 2.84Å |
| 577 | E | 91.4 | Very high | 88.9 | Confident | 86 Ų | 86 | 110.2 Ų | 110.2 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.9 | -37.3 | 175.8 | -154.7 | 65.2 | -140.5 | 0 | 0 | 111.6 | R573 N574 E575 R580 E581 | R573-E577 PolarHBondContact O-N 2.8Å; N574-E577 PolarHBondContact O-N 2.81Å; E575-E577 VanDerWaalsContact C-N 3.33Å; E575-E577 PolarHBondContact O-N 2.91Å; E577-R580 WeakPolarHBondContact O-CB 3.04Å; E577-R580 PolarHBondContact O-N 3.12Å; E577-R580 WeakPolarHBondContact OE1-CD 3.29Å; E577-R580 IonicContact OE1-CZ 3.21Å; E577-R580 IonicContact OE1-NE 2.81Å; E577-R580 IonicContact OE1-NH1 2.71Å; E577-R580 PolarHBondContact OE1-NH1 3.14Å; E577-R580 IonicContact OE2-CZ 3.82Å; E577-R580 IonicContact OE2-NH1 3.48Å; E577-R580 PolarHBondContact OE2-NH1 3.36Å; E577-R580 IonicContact OE2-NH2 3.3Å; E577-E581 PolarHBondContact O-N 3.13Å |
| 578 | Y | 92.6 | Very high | 88.8 | Confident | 172 Ų | 172 | 108.5 Ų | 108.5 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -49.5 | 171.5 | 179.4 | -93.3 | 0 | 0 | 0 | 111.6 | N574 E575 R580 E581 E582 | N574-Y578 PolarHBondContact O-N 2.77Å; E575-Y578 WeakPolarHBondContact O-CB 3.35Å; E575-Y578 PolarHBondContact O-N 2.94Å; Y578-R580 VanDerWaalsContact C-N 3.29Å; Y578-R580 PolarHBondContact O-N 3.35Å; Y578-E581 PolarHBondContact O-N 2.99Å; Y578-E582 PolarHBondContact O-N 3.28Å |
| 579 | V | 91.3 | Very high | 89 | Confident | 70 Ų | 70 | 109 Ų | 109 | 42% | 0.424 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 176 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | E575 E582 L583 | E575-V579 WeakPolarHBondContact O-CG2 3.49Å; E575-V579 PolarHBondContact O-N 3.42Å; V579-E582 PolarHBondContact O-N 3.1Å; V579-L583 HydrophobicContact CG1-CD1 4.1Å; V579-L583 HydrophobicContact CG1-CG 4.44Å; V579-L583 WeakPolarHBondContact O-CB 3.34Å; V579-L583 VanDerWaalsContact O-CG 3.28Å; V579-L583 WeakPolarHBondContact O-CG 3.23Å; V579-L583 PolarHBondContact O-N 2.92Å |
| 580 | R | 88.9 | Confident | 89 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -43.3 | 173.8 | -176.3 | -174.6 | -65.9 | 150.8 | 4.5 | 111.8 | L576 E577 Y578 L583 K584 | L576-R580 WeakPolarHBondContact O-CB 3.21Å; L576-R580 PolarHBondContact O-N 2.84Å; E577-R580 WeakPolarHBondContact O-CB 3.04Å; E577-R580 PolarHBondContact O-N 3.12Å; E577-R580 WeakPolarHBondContact OE1-CD 3.29Å; E577-R580 IonicContact OE1-CZ 3.21Å; E577-R580 IonicContact OE1-NE 2.81Å; E577-R580 IonicContact OE1-NH1 2.71Å; E577-R580 PolarHBondContact OE1-NH1 3.14Å; E577-R580 IonicContact OE2-CZ 3.82Å; E577-R580 IonicContact OE2-NH1 3.48Å; E577-R580 PolarHBondContact OE2-NH1 3.36Å; E577-R580 IonicContact OE2-NH2 3.3Å; Y578-R580 VanDerWaalsContact C-N 3.29Å; Y578-R580 PolarHBondContact O-N 3.35Å; R580-L583 PolarHBondContact O-N 2.84Å; R580-K584 WeakPolarHBondContact O-CB 3.37Å; R580-K584 PolarHBondContact O-N 2.9Å |
| 581 | E | 89.3 | Confident | 89.2 | Confident | 89 Ų | 89 | 111.3 Ų | 111.3 | 42% | 0.416 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.5 | -35.3 | 177.7 | -79.3 | -62.9 | 156.9 | 0 | 0 | 112.6 | E577 Y578 K584 Q585 | E577-E581 PolarHBondContact O-N 3.13Å; Y578-E581 PolarHBondContact O-N 2.99Å; E581-K584 WeakPolarHBondContact O-CB 3.34Å; E581-K584 PolarHBondContact O-N 3.37Å; E581-K584 IonicContact OE1-NZ 3.48Å; E581-K584 PolarHBondContact OE1-NZ 3.34Å; E581-K584 IonicContact OE2-NZ 2.62Å; E581-K584 PolarHBondContact OE2-NZ 3.25Å; E581-Q585 PolarHBondContact O-N 2.95Å |
| 582 | E | 90.2 | Very high | 89 | Confident | 92 Ų | 92 | 109.4 Ų | 109.4 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 169.9 | -169.8 | -174.5 | -175.9 | 0 | 0 | 111.3 | Y578 V579 K584 Q585 K586 | Y578-E582 PolarHBondContact O-N 3.28Å; V579-E582 PolarHBondContact O-N 3.1Å; E582-K584 VanDerWaalsContact C-N 3.26Å; E582-K584 PolarHBondContact O-N 2.84Å; E582-Q585 PolarHBondContact O-N 3.2Å; E582-K586 WeakPolarHBondContact O-CB 3.33Å; E582-K586 WeakPolarHBondContact O-CG 3.38Å; E582-K586 PolarHBondContact O-N 3.23Å |
| 583 | L | 88.1 | Confident | 88.9 | Confident | 112 Ų | 112 | 110.4 Ų | 110.4 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -31.4 | 176.1 | -72.9 | 172.7 | 0 | 0 | 0 | 112.7 | V579 R580 R587 | V579-L583 HydrophobicContact CG1-CD1 4.1Å; V579-L583 HydrophobicContact CG1-CG 4.44Å; V579-L583 WeakPolarHBondContact O-CB 3.34Å; V579-L583 VanDerWaalsContact O-CG 3.28Å; V579-L583 WeakPolarHBondContact O-CG 3.23Å; V579-L583 PolarHBondContact O-N 2.92Å; R580-L583 PolarHBondContact O-N 2.84Å; L583-R587 WeakPolarHBondContact O-CB 3.46Å; L583-R587 PolarHBondContact O-N 2.94Å |
| 584 | K | 87.4 | Confident | 88.9 | Confident | 88 Ų | 88 | 108.1 Ų | 108.1 | 38% | 0.383 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.1 | -46.3 | 173.2 | 173.2 | 161.5 | 152.2 | -97 | 0 | 111 | R580 E581 E582 K586 R587 D588 | R580-K584 WeakPolarHBondContact O-CB 3.37Å; R580-K584 PolarHBondContact O-N 2.9Å; E581-K584 WeakPolarHBondContact O-CB 3.34Å; E581-K584 PolarHBondContact O-N 3.37Å; E581-K584 IonicContact OE1-NZ 3.48Å; E581-K584 PolarHBondContact OE1-NZ 3.34Å; E581-K584 IonicContact OE2-NZ 2.62Å; E581-K584 PolarHBondContact OE2-NZ 3.25Å; E582-K584 VanDerWaalsContact C-N 3.26Å; E582-K584 PolarHBondContact O-N 2.84Å; K584-K586 VanDerWaalsContact C-N 3.3Å; K584-K586 PolarHBondContact O-N 3.46Å; K584-R587 WeakPolarHBondContact O-CB 3.36Å; K584-R587 PolarHBondContact O-N 3.44Å; K584-D588 PolarHBondContact O-N 2.85Å |
| 585 | Q | 88.7 | Confident | 88.9 | Confident | 136 Ų | 136 | 106.3 Ų | 106.3 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.7 | -41.1 | 172.3 | -168.5 | -177.2 | 22.1 | 0 | 0 | 111.8 | E581 E582 D588 E589 | E581-Q585 PolarHBondContact O-N 2.95Å; E582-Q585 PolarHBondContact O-N 3.2Å; Q585-D588 PolarHBondContact O-N 2.94Å; Q585-E589 WeakPolarHBondContact O-CB 3.16Å; Q585-E589 PolarHBondContact O-N 2.81Å |
| 586 | K | 88.2 | Confident | 88.7 | Confident | 97 Ų | 97 | 107 Ų | 107 | 42% | 0.422 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 176.2 | -70.9 | -72.4 | 157.2 | -162.8 | 0 | 112.9 | E582 K584 E589 V590 | E582-K586 WeakPolarHBondContact O-CB 3.33Å; E582-K586 WeakPolarHBondContact O-CG 3.38Å; E582-K586 PolarHBondContact O-N 3.23Å; K584-K586 VanDerWaalsContact C-N 3.3Å; K584-K586 PolarHBondContact O-N 3.46Å; K586-E589 IonicContact NZ-OE2 2.98Å; K586-E589 PolarHBondContact NZ-OE2 3.46Å; K586-E589 PolarHBondContact O-N 3.29Å; K586-V590 WeakPolarHBondContact O-CB 2.79Å; K586-V590 WeakPolarHBondContact O-CG2 3.44Å; K586-V590 PolarHBondContact O-N 2.74Å |
| 587 | R | 84.8 | Confident | 88.4 | Confident | 178 Ų | 178 | 104 Ų | 104 | 67% | 0.672 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59 | -47.5 | 171.3 | 179.5 | -168.6 | -62 | 168.5 | 0.3 | 110.9 | L583 K584 V590 K591 | L583-R587 WeakPolarHBondContact O-CB 3.46Å; L583-R587 PolarHBondContact O-N 2.94Å; K584-R587 WeakPolarHBondContact O-CB 3.36Å; K584-R587 PolarHBondContact O-N 3.44Å; R587-V590 PolarHBondContact O-N 3.3Å; R587-K591 WeakPolarHBondContact O-CB 3.34Å; R587-K591 PolarHBondContact O-N 2.81Å |
| 588 | D | 86.8 | Confident | 88.3 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.8 | -34 | -178.2 | -65.8 | -27 | 0 | 0 | 0 | 111.8 | K584 Q585 K591 C592 | K584-D588 PolarHBondContact O-N 2.85Å; Q585-D588 PolarHBondContact O-N 2.94Å; D588-K591 PolarHBondContact O-N 3.2Å; D588-C592 WeakPolarHBondContact O-CB 3.32Å; D588-C592 PolarHBondContact O-N 3.18Å; D588-C592 PolarHBondContact O-SG 2.6Å |
| 589 | E | 91.9 | Very high | 88.1 | Confident | 73 Ų | 73 | 102.7 Ų | 102.7 | 34% | 0.341 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 169.1 | -165.5 | -160.7 | 143.5 | 0 | 0 | 112 | Q585 K586 C592 K593 | Q585-E589 WeakPolarHBondContact O-CB 3.16Å; Q585-E589 PolarHBondContact O-N 2.81Å; K586-E589 IonicContact NZ-OE2 2.98Å; K586-E589 PolarHBondContact NZ-OE2 3.46Å; K586-E589 PolarHBondContact O-N 3.29Å; E589-C592 PolarHBondContact O-N 2.87Å; E589-K593 WeakPolarHBondContact O-CG 3.41Å; E589-K593 PolarHBondContact O-N 2.89Å; E589-K593 VanDerWaalsContact OE1-CE 3.29Å; E589-K593 WeakPolarHBondContact OE1-CE 3.39Å; E589-K593 IonicContact OE1-NZ 3.17Å; E589-K593 PolarHBondContact OE1-NZ 2.77Å |
| 590 | V | 89.1 | Confident | 88 | Confident | 94 Ų | 94 | 104.2 Ų | 104.2 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.6 | -40.5 | 175.5 | 168.1 | 0 | 0 | 0 | 0 | 111.1 | K586 R587 K593 L594 | K586-V590 WeakPolarHBondContact O-CB 2.79Å; K586-V590 WeakPolarHBondContact O-CG2 3.44Å; K586-V590 PolarHBondContact O-N 2.74Å; R587-V590 PolarHBondContact O-N 3.3Å; V590-K593 WeakPolarHBondContact O-CB 3.45Å; V590-K593 PolarHBondContact O-N 3.18Å; V590-K593 VanDerWaalsContact O-N 3.11Å; V590-L594 PolarHBondContact O-N 3.21Å |
| 591 | K | 90.4 | Very high | 87.7 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.6 | -170.7 | -172.2 | 170.9 | -169.2 | 0 | 111.2 | R587 D588 K593 L594 D595 | R587-K591 WeakPolarHBondContact O-CB 3.34Å; R587-K591 PolarHBondContact O-N 2.81Å; D588-K591 PolarHBondContact O-N 3.2Å; K591-K593 PolarHBondContact O-N 3.45Å; K591-K593 VanDerWaalsContact O-N 3.12Å; K591-L594 WeakPolarHBondContact O-CA 3.41Å; K591-L594 WeakPolarHBondContact O-CB 3.25Å; K591-L594 PolarHBondContact O-N 3.1Å; K591-D595 PolarHBondContact O-N 2.83Å |
| 592 | C | 85.4 | Confident | 87.6 | Confident | 66 Ų | 66 | 98.5 Ų | 98.5 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.5 | -24.4 | 176.1 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | D588 E589 K596 | D588-C592 WeakPolarHBondContact O-CB 3.32Å; D588-C592 PolarHBondContact O-N 3.18Å; D588-C592 PolarHBondContact O-SG 2.6Å; E589-C592 PolarHBondContact O-N 2.87Å; C592-K596 VanDerWaalsContact O-CD 3.27Å; C592-K596 WeakPolarHBondContact O-CD 3.22Å; C592-K596 VanDerWaalsContact O-CG 3.23Å; C592-K596 WeakPolarHBondContact O-CG 3.45Å |
| 593 | K | 88.2 | Confident | 87.5 | Confident | 120 Ų | 120 | 97.7 Ų | 97.7 | 52% | 0.522 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -82.2 | -33.8 | 172.8 | -69.3 | 170.4 | -173.1 | 174 | 0 | 112.2 | E589 V590 K591 S597 | E589-K593 WeakPolarHBondContact O-CG 3.41Å; E589-K593 PolarHBondContact O-N 2.89Å; E589-K593 VanDerWaalsContact OE1-CE 3.29Å; E589-K593 WeakPolarHBondContact OE1-CE 3.39Å; E589-K593 IonicContact OE1-NZ 3.17Å; E589-K593 PolarHBondContact OE1-NZ 2.77Å; V590-K593 WeakPolarHBondContact O-CB 3.45Å; V590-K593 PolarHBondContact O-N 3.18Å; V590-K593 VanDerWaalsContact O-N 3.11Å; K591-K593 PolarHBondContact O-N 3.45Å; K591-K593 VanDerWaalsContact O-N 3.12Å; K593-S597 PolarHBondContact O-N 2.84Å; K593-S597 VanDerWaalsContact O-N 3.09Å |
| 594 | L | 87 | Confident | 87.4 | Confident | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -48.8 | 174.2 | -177.5 | 62.2 | 0 | 0 | 0 | 111.6 | V590 K591 K596 S597 E598 | V590-L594 PolarHBondContact O-N 3.21Å; K591-L594 WeakPolarHBondContact O-CA 3.41Å; K591-L594 WeakPolarHBondContact O-CB 3.25Å; K591-L594 PolarHBondContact O-N 3.1Å; L594-K596 PolarHBondContact O-N 3.06Å; L594-S597 PolarHBondContact O-N 3.46Å; L594-S597 PolarHBondContact O-OG 3.27Å; L594-E598 PolarHBondContact O-N 2.83Å |
| 595 | D | 88.2 | Confident | 87.4 | Confident | 76 Ų | 76 | 100.6 Ų | 100.6 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.4 | -40.1 | 178.9 | -58.9 | -17.8 | 0 | 0 | 0 | 110.6 | K591 E599 | K591-D595 PolarHBondContact O-N 2.83Å; D595-E599 PolarHBondContact O-N 2.87Å |
| 596 | K | 87.3 | Confident | 87.4 | Confident | 135 Ų | 135 | 99.8 Ų | 99.8 | 59% | 0.587 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -69.9 | -34.4 | 174.1 | -72.3 | 174 | -173.6 | 176.8 | 0 | 113.9 | C592 L594 N600 | C592-K596 VanDerWaalsContact O-CD 3.27Å; C592-K596 WeakPolarHBondContact O-CD 3.22Å; C592-K596 VanDerWaalsContact O-CG 3.23Å; C592-K596 WeakPolarHBondContact O-CG 3.45Å; L594-K596 PolarHBondContact O-N 3.06Å; K596-N600 PolarHBondContact O-N 2.73Å; K596-N600 VanDerWaalsContact O-N 3.14Å; K596-N600 PolarHBondContact O-ND2 3.22Å |
| 597 | S | 81.3 | Confident | 87.2 | Confident | 54 Ų | 54 | 100 Ų | 100 | 38% | 0.378 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.4 | -32.5 | 177 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | K593 L594 N600 C601 | K593-S597 PolarHBondContact O-N 2.84Å; K593-S597 VanDerWaalsContact O-N 3.09Å; L594-S597 PolarHBondContact O-N 3.46Å; L594-S597 PolarHBondContact O-OG 3.27Å; S597-N600 PolarHBondContact O-N 3.07Å; S597-C601 WeakPolarHBondContact O-CB 3.5Å; S597-C601 PolarHBondContact O-N 3.16Å; S597-C601 PolarHBondContact O-SG 3.25Å |
| 598 | E | 89.3 | Confident | 87.2 | Confident | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 169.7 | 176.9 | 162.7 | -161 | 0 | 0 | 111.9 | L594 N600 C601 N602 | L594-E598 PolarHBondContact O-N 2.83Å; E598-N600 VanDerWaalsContact C-N 3.32Å; E598-N600 PolarHBondContact O-N 2.89Å; E598-C601 CarbonylContact O-C 3.56Å; E598-C601 WeakPolarHBondContact O-CB 3.31Å; E598-C601 PolarHBondContact O-N 2.89Å; E598-C601 VanDerWaalsContact O-N 3.13Å; E598-N602 WeakPolarHBondContact CG-ND2 3.43Å; E598-N602 WeakPolarHBondContact O-CB 3.5Å; E598-N602 PolarHBondContact O-N 2.89Å; E598-N602 PolarHBondContact O-ND2 3.29Å |
| 599 | E | 88.3 | Confident | 87.1 | Confident | 122 Ų | 122 | 96.9 Ų | 96.9 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.6 | -44.1 | 173.8 | -175.2 | 173.9 | -155.7 | 0 | 0 | 111.7 | D595 C601 N602 N603 | D595-E599 PolarHBondContact O-N 2.87Å; E599-C601 PolarHBondContact O-N 3.03Å; E599-N602 PolarHBondContact O-N 2.73Å; E599-N603 PolarHBondContact O-N 2.82Å; E599-N603 PolarHBondContact O-ND2 2.94Å |
| 600 | N | 88.1 | Confident | 86.9 | Confident | 101 Ų | 101 | 98.2 Ų | 98.2 | 54% | 0.54 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 173.3 | -78.7 | -55.9 | 0 | 0 | 0 | 112.4 | K596 S597 E598 N602 N603 L604 | K596-N600 PolarHBondContact O-N 2.73Å; K596-N600 VanDerWaalsContact O-N 3.14Å; K596-N600 PolarHBondContact O-ND2 3.22Å; S597-N600 PolarHBondContact O-N 3.07Å; E598-N600 VanDerWaalsContact C-N 3.32Å; E598-N600 PolarHBondContact O-N 2.89Å; N600-N602 VanDerWaalsContact C-N 3.33Å; N600-N602 PolarHBondContact O-N 3.15Å; N600-N603 PolarHBondContact O-N 3.43Å; N600-L604 WeakPolarHBondContact O-CG 3.48Å; N600-L604 PolarHBondContact O-N 3.07Å |
| 601 | C | 82.6 | Confident | 86.8 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.7 | -37.3 | 174.8 | -70.8 | 0 | 0 | 0 | 0 | 112.4 | S597 E598 E599 L604 R605 | S597-C601 WeakPolarHBondContact O-CB 3.5Å; S597-C601 PolarHBondContact O-N 3.16Å; S597-C601 PolarHBondContact O-SG 3.25Å; E598-C601 CarbonylContact O-C 3.56Å; E598-C601 WeakPolarHBondContact O-CB 3.31Å; E598-C601 PolarHBondContact O-N 2.89Å; E598-C601 VanDerWaalsContact O-N 3.13Å; E599-C601 PolarHBondContact O-N 3.03Å; C601-L604 PolarHBondContact O-N 3.01Å; C601-R605 WeakPolarHBondContact O-CB 3.43Å; C601-R605 PolarHBondContact O-N 3.01Å |
| 602 | N | 87.3 | Confident | 86.6 | Confident | 46 Ų | 46 | 97.4 Ų | 97.4 | 25% | 0.246 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -70.3 | -34.8 | 176.1 | -74.7 | -40.4 | 0 | 0 | 0 | 112 | E598 E599 N600 R605 K606 | E598-N602 WeakPolarHBondContact CG-ND2 3.43Å; E598-N602 WeakPolarHBondContact O-CB 3.5Å; E598-N602 PolarHBondContact O-N 2.89Å; E598-N602 PolarHBondContact O-ND2 3.29Å; E599-N602 PolarHBondContact O-N 2.73Å; N600-N602 VanDerWaalsContact C-N 3.33Å; N600-N602 PolarHBondContact O-N 3.15Å; N602-R605 WeakPolarHBondContact O-CB 3.45Å; N602-R605 PolarHBondContact O-N 3.46Å; N602-R605 VanDerWaalsContact OD1-CZ 3.26Å; N602-R605 PolarHBondContact OD1-NH1 3.44Å; N602-R605 VanDerWaalsContact OD1-NH1 3.1Å; N602-R605 PolarHBondContact OD1-NH2 2.86Å; N602-K606 WeakPolarHBondContact O-CG 3.45Å; N602-K606 PolarHBondContact O-N 2.82Å |
| 603 | N | 88.8 | Confident | 86.7 | Confident | 74 Ų | 74 | 98.4 Ų | 98.4 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -38.9 | 172.6 | -71.3 | -30.9 | 0 | 0 | 0 | 112.3 | E599 N600 K606 Q607 | E599-N603 PolarHBondContact O-N 2.82Å; E599-N603 PolarHBondContact O-ND2 2.94Å; N600-N603 PolarHBondContact O-N 3.43Å; N603-K606 PolarHBondContact O-N 3.2Å; N603-Q607 PolarHBondContact O-N 3.47Å |
| 604 | L | 87.3 | Confident | 86.5 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 55% | 0.55 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 169.7 | -71.9 | 171.1 | 0 | 0 | 0 | 111.8 | N600 C601 Q607 V608 | N600-L604 WeakPolarHBondContact O-CG 3.48Å; N600-L604 PolarHBondContact O-N 3.07Å; C601-L604 PolarHBondContact O-N 3.01Å; L604-Q607 WeakPolarHBondContact O-CB 3.39Å; L604-Q607 PolarHBondContact O-N 3.42Å; L604-Q607 VanDerWaalsContact O-N 3.14Å; L604-V608 WeakPolarHBondContact O-CG2 3.46Å; L604-V608 PolarHBondContact O-N 3.16Å |
| 605 | R | 87.3 | Confident | 86.2 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.1 | -48.2 | 175.2 | -168.3 | -176.2 | -60 | 158.5 | 6.9 | 111.4 | C601 N602 Q607 V608 E609 | C601-R605 WeakPolarHBondContact O-CB 3.43Å; C601-R605 PolarHBondContact O-N 3.01Å; N602-R605 WeakPolarHBondContact O-CB 3.45Å; N602-R605 PolarHBondContact O-N 3.46Å; N602-R605 VanDerWaalsContact OD1-CZ 3.26Å; N602-R605 PolarHBondContact OD1-NH1 3.44Å; N602-R605 VanDerWaalsContact OD1-NH1 3.1Å; N602-R605 PolarHBondContact OD1-NH2 2.86Å; R605-Q607 VanDerWaalsContact C-N 3.3Å; R605-Q607 PolarHBondContact O-N 3.2Å; R605-V608 PolarHBondContact O-N 2.97Å; R605-E609 WeakPolarHBondContact O-CB 3.47Å; R605-E609 PolarHBondContact O-N 3.4Å |
| 606 | K | 87 | Confident | 86 | Confident | 118 Ų | 118 | 99.1 Ų | 99.1 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.1 | -39.4 | 173 | -69.8 | 169 | -173.5 | 168.1 | 0 | 112.3 | N602 N603 E609 N610 | N602-K606 WeakPolarHBondContact O-CG 3.45Å; N602-K606 PolarHBondContact O-N 2.82Å; N603-K606 PolarHBondContact O-N 3.2Å; K606-E609 PolarHBondContact O-N 2.84Å; K606-N610 WeakPolarHBondContact O-CB 3.37Å; K606-N610 VanDerWaalsContact O-CG 3.28Å; K606-N610 PolarHBondContact O-N 3.47Å |
| 607 | Q | 84.7 | Confident | 85.8 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.1 | -163 | -163.1 | 90.6 | 0 | 0 | 112.1 | N603 L604 R605 K611 | N603-Q607 PolarHBondContact O-N 3.47Å; L604-Q607 WeakPolarHBondContact O-CB 3.39Å; L604-Q607 PolarHBondContact O-N 3.42Å; L604-Q607 VanDerWaalsContact O-N 3.14Å; R605-Q607 VanDerWaalsContact C-N 3.3Å; R605-Q607 PolarHBondContact O-N 3.2Å; Q607-K611 WeakPolarHBondContact O-CG 3.5Å; Q607-K611 PolarHBondContact O-N 2.82Å |
| 608 | V | 84.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 98.5 Ų | 98.5 | 57% | 0.57 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.4 | -43.8 | 174 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L604 R605 N610 K611 N612 | L604-V608 WeakPolarHBondContact O-CG2 3.46Å; L604-V608 PolarHBondContact O-N 3.16Å; R605-V608 PolarHBondContact O-N 2.97Å; V608-N610 PolarHBondContact O-N 3.45Å; V608-K611 CarbonylContact O-C 3.57Å; V608-K611 WeakPolarHBondContact O-CB 3.45Å; V608-K611 PolarHBondContact O-N 3.01Å; V608-N612 PolarHBondContact O-N 3.38Å |
| 609 | E | 84.8 | Confident | 85.1 | Confident | 97 Ų | 97 | 98.1 Ų | 98.1 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 178.7 | -164.1 | -168.6 | 147.3 | 0 | 0 | 112.2 | R605 K606 N612 K613 | R605-E609 WeakPolarHBondContact O-CB 3.47Å; R605-E609 PolarHBondContact O-N 3.4Å; K606-E609 PolarHBondContact O-N 2.84Å; E609-N612 WeakPolarHBondContact O-CB 3.33Å; E609-N612 PolarHBondContact O-N 3.3Å; E609-K613 WeakPolarHBondContact O-CG 3.39Å; E609-K613 PolarHBondContact O-N 3.49Å; E609-K613 WeakPolarHBondContact OE1-CE 3.45Å; E609-K613 IonicContact OE1-NZ 2.63Å; E609-K613 PolarHBondContact OE1-NZ 2.9Å |
| 610 | N | 87.8 | Confident | 84.8 | Confident | 101 Ų | 101 | 98.6 Ų | 98.6 | 54% | 0.54 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.2 | -37.5 | 174.1 | -71 | -11.7 | 0 | 0 | 0 | 112.3 | K606 V608 N612 K613 Y614 | K606-N610 WeakPolarHBondContact O-CB 3.37Å; K606-N610 VanDerWaalsContact O-CG 3.28Å; K606-N610 PolarHBondContact O-N 3.47Å; V608-N610 PolarHBondContact O-N 3.45Å; N610-N612 VanDerWaalsContact C-N 3.3Å; N610-N612 PolarHBondContact O-N 3.47Å; N610-K613 PolarHBondContact O-N 2.88Å; N610-Y614 PolarHBondContact O-N 3.14Å |
| 611 | K | 87.8 | Confident | 84.3 | Confident | 118 Ų | 118 | 99 Ų | 99 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 170.5 | -75.6 | 168.2 | 172.7 | 172.1 | 0 | 111.9 | Q607 V608 Y614 I615 | Q607-K611 WeakPolarHBondContact O-CG 3.5Å; Q607-K611 PolarHBondContact O-N 2.82Å; V608-K611 CarbonylContact O-C 3.57Å; V608-K611 WeakPolarHBondContact O-CB 3.45Å; V608-K611 PolarHBondContact O-N 3.01Å; K611-Y614 PolarHBondContact O-N 3.44Å; K611-I615 VanDerWaalsContact O-CG1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.47Å; K611-I615 PolarHBondContact O-N 3.18Å |
| 612 | N | 87.1 | Confident | 84 | Confident | 78 Ų | 78 | 100.1 Ų | 100.1 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 177.2 | -151.3 | 81.6 | 0 | 0 | 0 | 111.6 | V608 E609 N610 Y614 I615 E616 | V608-N612 PolarHBondContact O-N 3.38Å; E609-N612 WeakPolarHBondContact O-CB 3.33Å; E609-N612 PolarHBondContact O-N 3.3Å; N610-N612 VanDerWaalsContact C-N 3.3Å; N610-N612 PolarHBondContact O-N 3.47Å; N612-Y614 VanDerWaalsContact C-N 3.33Å; N612-Y614 PolarHBondContact O-N 3.23Å; N612-I615 CarbonylContact O-C 3.58Å; N612-I615 WeakPolarHBondContact O-CA 3.45Å; N612-I615 WeakPolarHBondContact O-CB 3.49Å; N612-I615 PolarHBondContact O-N 3.13Å; N612-I615 VanDerWaalsContact O-N 3.07Å; N612-E616 PolarHBondContact ND2-OE1 3.22Å; N612-E616 WeakPolarHBondContact O-CG 3.5Å; N612-E616 PolarHBondContact O-N 3.01Å |
| 613 | K | 86.9 | Confident | 83.7 | Confident | 87 Ų | 87 | 103.9 Ų | 103.9 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57 | -45 | 173 | -70 | 164 | -171.2 | 161.6 | 0 | 111.6 | E609 N610 I615 E616 E617 | E609-K613 WeakPolarHBondContact O-CG 3.39Å; E609-K613 PolarHBondContact O-N 3.49Å; E609-K613 WeakPolarHBondContact OE1-CE 3.45Å; E609-K613 IonicContact OE1-NZ 2.63Å; E609-K613 PolarHBondContact OE1-NZ 2.9Å; N610-K613 PolarHBondContact O-N 2.88Å; K613-I615 VanDerWaalsContact C-N 3.34Å; K613-I615 PolarHBondContact O-N 3.41Å; K613-E616 WeakPolarHBondContact O-CB 3.47Å; K613-E616 PolarHBondContact O-N 2.96Å; K613-E616 VanDerWaalsContact O-N 3.15Å; K613-E617 WeakPolarHBondContact O-CG 3.38Å; K613-E617 PolarHBondContact O-N 2.97Å |
| 614 | Y | 84.2 | Confident | 83.2 | Confident | 140 Ų | 140 | 103 Ų | 103 | 55% | 0.549 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 174.4 | -173.7 | -113.4 | 0 | 0 | 0 | 113.3 | N610 K611 N612 L618 | N610-Y614 PolarHBondContact O-N 3.14Å; K611-Y614 PolarHBondContact O-N 3.44Å; N612-Y614 VanDerWaalsContact C-N 3.33Å; N612-Y614 PolarHBondContact O-N 3.23Å; Y614-L618 HydrophobicContact CD1-CD1 3.96Å; Y614-L618 HydrophobicContact CE1-CD1 3.61Å; Y614-L618 HydrophobicContact CE1-CG 4.35Å; Y614-L618 WeakPolarHBondContact O-CB 3.23Å; Y614-L618 WeakPolarHBondContact O-CG 3.46Å; Y614-L618 PolarHBondContact O-N 2.94Å |
| 615 | I | 81.1 | Confident | 82.6 | Confident | 82 Ų | 82 | 102.4 Ų | 102.4 | 42% | 0.421 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 172.5 | -70.2 | 163.7 | 0 | 0 | 0 | 111.2 | K611 N612 K613 L618 Q619 | K611-I615 VanDerWaalsContact O-CG1 3.31Å; K611-I615 WeakPolarHBondContact O-CG1 3.47Å; K611-I615 PolarHBondContact O-N 3.18Å; N612-I615 CarbonylContact O-C 3.58Å; N612-I615 WeakPolarHBondContact O-CA 3.45Å; N612-I615 WeakPolarHBondContact O-CB 3.49Å; N612-I615 PolarHBondContact O-N 3.13Å; N612-I615 VanDerWaalsContact O-N 3.07Å; K613-I615 VanDerWaalsContact C-N 3.34Å; K613-I615 PolarHBondContact O-N 3.41Å; I615-L618 PolarHBondContact O-N 2.84Å; I615-Q619 WeakPolarHBondContact O-CB 3.27Å; I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.42Å; I615-Q619 PolarHBondContact O-N 3.29Å |
| 616 | E | 83.3 | Confident | 81.8 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 175 | -72.6 | 169.8 | -136.5 | 0 | 0 | 111.9 | N612 K613 Q619 Q620 | N612-E616 PolarHBondContact ND2-OE1 3.22Å; N612-E616 WeakPolarHBondContact O-CG 3.5Å; N612-E616 PolarHBondContact O-N 3.01Å; K613-E616 WeakPolarHBondContact O-CB 3.47Å; K613-E616 PolarHBondContact O-N 2.96Å; K613-E616 VanDerWaalsContact O-N 3.15Å; E616-Q619 WeakPolarHBondContact O-CB 3.39Å; E616-Q619 PolarHBondContact O-N 3.09Å; E616-Q620 WeakPolarHBondContact O-CG 3.33Å; E616-Q620 PolarHBondContact O-N 3.11Å |
| 617 | E | 82.5 | Confident | 81.3 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 53% | 0.533 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.6 | -51.7 | 171.2 | -72.6 | 164.5 | -175.3 | 0 | 0 | 110.9 | K613 Q619 Q620 E621 | K613-E617 WeakPolarHBondContact O-CG 3.38Å; K613-E617 PolarHBondContact O-N 2.97Å; E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.98Å; E617-Q620 WeakPolarHBondContact O-CA 3.29Å; E617-Q620 WeakPolarHBondContact O-CB 3.37Å; E617-Q620 PolarHBondContact O-N 3.22Å; E617-E621 PolarHBondContact O-N 3.45Å |
| 618 | L | 78.3 | Confident | 80.8 | Confident | 62 Ų | 62 | 105.1 Ų | 105.1 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 175 | -72.4 | 172.4 | 0 | 0 | 0 | 112.9 | Y614 I615 N622 | Y614-L618 HydrophobicContact CD1-CD1 3.96Å; Y614-L618 HydrophobicContact CE1-CD1 3.61Å; Y614-L618 HydrophobicContact CE1-CG 4.35Å; Y614-L618 WeakPolarHBondContact O-CB 3.23Å; Y614-L618 WeakPolarHBondContact O-CG 3.46Å; Y614-L618 PolarHBondContact O-N 2.94Å; I615-L618 PolarHBondContact O-N 2.84Å; L618-N622 WeakPolarHBondContact O-CB 3.34Å; L618-N622 PolarHBondContact O-N 2.89Å; L618-N622 PolarHBondContact O-ND2 2.71Å |
| 619 | Q | 77.2 | Confident | 80.2 | Confident | 103 Ų | 103 | 102.2 Ų | 102.2 | 48% | 0.481 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -71.8 | -34.8 | 172.4 | -77.7 | -176 | 31 | 0 | 0 | 112.6 | I615 E616 E617 K623 | I615-Q619 WeakPolarHBondContact O-CB 3.27Å; I615-Q619 VanDerWaalsContact O-CG 3.31Å; I615-Q619 WeakPolarHBondContact O-CG 3.42Å; I615-Q619 PolarHBondContact O-N 3.29Å; E616-Q619 WeakPolarHBondContact O-CB 3.39Å; E616-Q619 PolarHBondContact O-N 3.09Å; E617-Q619 VanDerWaalsContact C-N 3.26Å; E617-Q619 PolarHBondContact O-N 2.98Å; Q619-K623 WeakPolarHBondContact O-CD 3.46Å; Q619-K623 VanDerWaalsContact O-CG 3.25Å; Q619-K623 WeakPolarHBondContact O-CG 3.49Å; Q619-K623 PolarHBondContact O-N 2.8Å |
| 620 | Q | 81.9 | Confident | 79.5 | Confident | 131 Ų | 131 | 101.3 Ų | 101.3 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -69.4 | -41.1 | 173 | -71.3 | -173.4 | 52.8 | 0 | 0 | 111.2 | E616 E617 K623 A624 | E616-Q620 WeakPolarHBondContact O-CG 3.33Å; E616-Q620 PolarHBondContact O-N 3.11Å; E617-Q620 WeakPolarHBondContact O-CA 3.29Å; E617-Q620 WeakPolarHBondContact O-CB 3.37Å; E617-Q620 PolarHBondContact O-N 3.22Å; Q620-K623 CarbonylContact O-C 3.55Å; Q620-K623 WeakPolarHBondContact O-CB 3.27Å; Q620-K623 PolarHBondContact O-N 3.47Å; Q620-K623 VanDerWaalsContact O-N 3.16Å; Q620-A624 PolarHBondContact O-N 2.95Å |
| 621 | E | 78.8 | Confident | 78.7 | Confident | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 172.3 | -172.6 | 176 | -157.8 | 0 | 0 | 111.2 | E617 K623 A624 L625 | E617-E621 PolarHBondContact O-N 3.45Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 2.69Å; E621-A624 CarbonylContact O-C 3.56Å; E621-A624 WeakPolarHBondContact O-CA 3.26Å; E621-A624 WeakPolarHBondContact O-CB 3.3Å; E621-A624 PolarHBondContact O-N 3.47Å; E621-L625 HydrophobicContact CG-CD1 4.23Å; E621-L625 HydrophobicContact CG-CG 4.42Å; E621-L625 WeakPolarHBondContact O-CG 3.41Å; E621-L625 PolarHBondContact O-N 2.87Å |
| 622 | N | 75.2 | Confident | 77.9 | Confident | 93 Ų | 93 | 97.6 Ų | 97.6 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.1 | -33.6 | 173.8 | -89.7 | -88.7 | 0 | 0 | 0 | 113 | L618 K626 | L618-N622 WeakPolarHBondContact O-CB 3.34Å; L618-N622 PolarHBondContact O-N 2.89Å; L618-N622 PolarHBondContact O-ND2 2.71Å; N622-K626 WeakPolarHBondContact O-CB 3.47Å; N622-K626 WeakPolarHBondContact O-CG 3.39Å; N622-K626 PolarHBondContact O-N 3.11Å |
| 623 | K | 81.6 | Confident | 77.1 | Confident | 125 Ų | 125 | 97.5 Ų | 97.5 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | 171.3 | -72.9 | 162.6 | -174.5 | 166.8 | 0 | 111.6 | Q619 Q620 E621 K627 | Q619-K623 WeakPolarHBondContact O-CD 3.46Å; Q619-K623 VanDerWaalsContact O-CG 3.25Å; Q619-K623 WeakPolarHBondContact O-CG 3.49Å; Q619-K623 PolarHBondContact O-N 2.8Å; Q620-K623 CarbonylContact O-C 3.55Å; Q620-K623 WeakPolarHBondContact O-CB 3.27Å; Q620-K623 PolarHBondContact O-N 3.47Å; Q620-K623 VanDerWaalsContact O-N 3.16Å; E621-K623 VanDerWaalsContact C-N 3.28Å; E621-K623 PolarHBondContact O-N 2.69Å; K623-K627 WeakPolarHBondContact O-CG 3.49Å; K623-K627 PolarHBondContact O-N 2.92Å |
| 624 | A | 78.1 | Confident | 76.5 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.4 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q620 E621 K627 K628 | Q620-A624 PolarHBondContact O-N 2.95Å; E621-A624 CarbonylContact O-C 3.56Å; E621-A624 WeakPolarHBondContact O-CA 3.26Å; E621-A624 WeakPolarHBondContact O-CB 3.3Å; E621-A624 PolarHBondContact O-N 3.47Å; A624-K627 WeakPolarHBondContact O-CB 3.47Å; A624-K627 PolarHBondContact O-N 3.27Å; A624-K627 VanDerWaalsContact O-N 3.14Å; A624-K628 PolarHBondContact O-N 3.45Å |
| 625 | L | 74.8 | Confident | 75.9 | Confident | 93 Ų | 93 | 99.5 Ų | 99.5 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 174 | -69.5 | 173.4 | 0 | 0 | 0 | 111.7 | E621 K628 G629 | E621-L625 HydrophobicContact CG-CD1 4.23Å; E621-L625 HydrophobicContact CG-CG 4.42Å; E621-L625 WeakPolarHBondContact O-CG 3.41Å; E621-L625 PolarHBondContact O-N 2.87Å; L625-K628 PolarHBondContact O-N 3.44Å; L625-G629 PolarHBondContact O-N 2.9Å |
| 626 | K | 71.3 | Confident | 75.3 | Confident | 162 Ų | 162 | 101.3 Ų | 101.3 | 70% | 0.704 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 169.9 | -80.4 | -174.4 | 176 | -175.8 | 0 | 112.3 | N622 G629 T630 | N622-K626 WeakPolarHBondContact O-CB 3.47Å; N622-K626 WeakPolarHBondContact O-CG 3.39Å; N622-K626 PolarHBondContact O-N 3.11Å; K626-G629 PolarHBondContact O-N 3.35Å; K626-T630 WeakPolarHBondContact O-CG2 3.45Å; K626-T630 PolarHBondContact O-N 2.97Å |
| 627 | K | 76.9 | Confident | 74.8 | Confident | 155 Ų | 155 | 100.9 Ų | 100.9 | 67% | 0.674 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 173.7 | -73.6 | 173.6 | 179.7 | -179 | 0 | 111.6 | K623 A624 T630 A631 | K623-K627 WeakPolarHBondContact O-CG 3.49Å; K623-K627 PolarHBondContact O-N 2.92Å; A624-K627 WeakPolarHBondContact O-CB 3.47Å; A624-K627 PolarHBondContact O-N 3.27Å; A624-K627 VanDerWaalsContact O-N 3.14Å; K627-T630 PolarHBondContact O-N 2.87Å; K627-T630 PolarHBondContact O-OG1 3.16Å; K627-A631 PolarHBondContact O-N 3.36Å |
| 628 | K | 74 | Confident | 74.3 | Confident | 116 Ų | 116 | 99.7 Ų | 99.7 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.5 | -170.7 | 170.3 | -178.2 | -75.1 | 0 | 111.5 | A624 L625 T630 A631 E632 | A624-K628 PolarHBondContact O-N 3.45Å; L625-K628 PolarHBondContact O-N 3.44Å; K628-T630 VanDerWaalsContact C-N 3.32Å; K628-T630 PolarHBondContact O-N 3.41Å; K628-A631 CarbonylContact O-C 3.57Å; K628-A631 WeakPolarHBondContact O-CA 3.18Å; K628-A631 WeakPolarHBondContact O-CB 3.43Å; K628-A631 PolarHBondContact O-N 2.93Å; K628-E632 IonicContact NZ-OE1 2.74Å; K628-E632 PolarHBondContact NZ-OE1 3.02Å; K628-E632 WeakPolarHBondContact O-CG 3.44Å; K628-E632 PolarHBondContact O-N 3.42Å |
| 629 | G | 70.2 | Confident | 74 | Confident | 32 Ų | 32 | 103.6 Ų | 103.6 | 33% | 0.33 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -36.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.6 | L625 K626 A631 S633 | L625-G629 PolarHBondContact O-N 2.9Å; K626-G629 PolarHBondContact O-N 3.35Å; G629-A631 VanDerWaalsContact C-N 3.31Å; G629-A631 PolarHBondContact O-N 2.86Å; G629-S633 WeakPolarHBondContact O-CB 3.48Å; G629-S633 PolarHBondContact O-N 3.47Å |
| 630 | T | 70.3 | Confident | 73.8 | Confident | 79 Ų | 79 | 104 Ų | 104 | 49% | 0.485 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.8 | -19.8 | 172.2 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | K626 K627 K628 K634 | K626-T630 WeakPolarHBondContact O-CG2 3.45Å; K626-T630 PolarHBondContact O-N 2.97Å; K627-T630 PolarHBondContact O-N 2.87Å; K627-T630 PolarHBondContact O-OG1 3.16Å; K628-T630 VanDerWaalsContact C-N 3.32Å; K628-T630 PolarHBondContact O-N 3.41Å; T630-K634 WeakPolarHBondContact O-CD 3.39Å; T630-K634 VanDerWaalsContact O-CG 3.22Å; T630-K634 WeakPolarHBondContact O-CG 3.35Å; T630-K634 PolarHBondContact O-N 3.28Å |
| 631 | A | 72 | Confident | 73.4 | Confident | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -83.2 | -39.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K627 K628 G629 K634 Q635 | K627-A631 PolarHBondContact O-N 3.36Å; K628-A631 CarbonylContact O-C 3.57Å; K628-A631 WeakPolarHBondContact O-CA 3.18Å; K628-A631 WeakPolarHBondContact O-CB 3.43Å; K628-A631 PolarHBondContact O-N 2.93Å; G629-A631 VanDerWaalsContact C-N 3.31Å; G629-A631 PolarHBondContact O-N 2.86Å; A631-K634 WeakPolarHBondContact O-CB 3.43Å; A631-K634 PolarHBondContact O-N 3.46Å; A631-Q635 PolarHBondContact O-N 3.46Å |
| 632 | E | 71.4 | Confident | 73.4 | Confident | 88 Ų | 88 | 103.8 Ų | 103.8 | 41% | 0.411 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 173.3 | -70.9 | 164.2 | 167.2 | 0 | 0 | 111.2 | K628 K634 Q635 L636 | K628-E632 IonicContact NZ-OE1 2.74Å; K628-E632 PolarHBondContact NZ-OE1 3.02Å; K628-E632 WeakPolarHBondContact O-CG 3.44Å; K628-E632 PolarHBondContact O-N 3.42Å; E632-K634 VanDerWaalsContact C-N 3.31Å; E632-K634 PolarHBondContact O-N 2.96Å; E632-Q635 CarbonylContact O-C 3.58Å; E632-Q635 WeakPolarHBondContact O-CB 3.39Å; E632-Q635 PolarHBondContact O-N 3.49Å; E632-L636 PolarHBondContact O-N 3.01Å |
| 633 | S | 68.4 | Low | 73.3 | Confident | 75 Ų | 75 | 103 Ų | 103 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 169.3 | 172.3 | 0 | 0 | 0 | 0 | 112.7 | G629 L636 N637 | G629-S633 WeakPolarHBondContact O-CB 3.48Å; G629-S633 PolarHBondContact O-N 3.47Å; S633-L636 WeakPolarHBondContact O-CB 3.44Å; S633-L636 PolarHBondContact O-N 2.84Å; S633-N637 PolarHBondContact O-N 2.92Å |
| 634 | K | 74.9 | Confident | 73.1 | Confident | 148 Ų | 148 | 100.7 Ų | 100.7 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.5 | -35.3 | 172.8 | -74.5 | 167.6 | -174.9 | 179.3 | 0 | 112.4 | T630 A631 E632 N637 V638 | T630-K634 WeakPolarHBondContact O-CD 3.39Å; T630-K634 VanDerWaalsContact O-CG 3.22Å; T630-K634 WeakPolarHBondContact O-CG 3.35Å; T630-K634 PolarHBondContact O-N 3.28Å; A631-K634 WeakPolarHBondContact O-CB 3.43Å; A631-K634 PolarHBondContact O-N 3.46Å; E632-K634 VanDerWaalsContact C-N 3.31Å; E632-K634 PolarHBondContact O-N 2.96Å; K634-N637 PolarHBondContact O-N 3.43Å; K634-V638 WeakPolarHBondContact O-CG2 3.48Å; K634-V638 PolarHBondContact O-N 3.47Å |
| 635 | Q | 72 | Confident | 73.1 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -41.5 | 169.6 | -73.9 | -171.9 | -13.3 | 0 | 0 | 111.5 | A631 E632 N637 V638 Y639 | A631-Q635 PolarHBondContact O-N 3.46Å; E632-Q635 CarbonylContact O-C 3.58Å; E632-Q635 WeakPolarHBondContact O-CB 3.39Å; E632-Q635 PolarHBondContact O-N 3.49Å; Q635-N637 VanDerWaalsContact C-N 3.35Å; Q635-N637 PolarHBondContact O-N 3.18Å; Q635-V638 CarbonylContact O-C 3.58Å; Q635-V638 WeakPolarHBondContact O-CA 3.5Å; Q635-V638 WeakPolarHBondContact O-CB 3.46Å; Q635-V638 PolarHBondContact O-N 2.85Å; Q635-V638 VanDerWaalsContact O-N 3.11Å; Q635-Y639 HydrophobicContact CB-CE2 4.37Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.44Å; Q635-Y639 PolarHBondContact O-N 2.93Å |
| 636 | L | 69.2 | Low | 73.2 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 63% | 0.628 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.2 | -46.4 | 174 | -108.3 | 166.1 | 0 | 0 | 0 | 111.4 | E632 S633 V638 Y639 E640 | E632-L636 PolarHBondContact O-N 3.01Å; S633-L636 WeakPolarHBondContact O-CB 3.44Å; S633-L636 PolarHBondContact O-N 2.84Å; L636-V638 VanDerWaalsContact C-N 3.34Å; L636-V638 PolarHBondContact O-N 3.11Å; L636-Y639 CarbonylContact O-C 3.59Å; L636-Y639 WeakPolarHBondContact O-CA 3.31Å; L636-Y639 WeakPolarHBondContact O-CB 3.43Å; L636-Y639 PolarHBondContact O-N 3.17Å; L636-Y639 VanDerWaalsContact O-N 3.09Å; L636-E640 WeakPolarHBondContact O-CB 3.47Å; L636-E640 PolarHBondContact O-N 3.04Å |
| 637 | N | 71.1 | Confident | 73.2 | Confident | 83 Ų | 83 | 102.2 Ų | 102.2 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -38.2 | 174.3 | -169.8 | -37.9 | 0 | 0 | 0 | 112 | S633 K634 Q635 Y639 E640 I641 | S633-N637 PolarHBondContact O-N 2.92Å; K634-N637 PolarHBondContact O-N 3.43Å; Q635-N637 VanDerWaalsContact C-N 3.35Å; Q635-N637 PolarHBondContact O-N 3.18Å; N637-Y639 VanDerWaalsContact C-N 3.34Å; N637-Y639 PolarHBondContact O-N 3.36Å; N637-E640 WeakPolarHBondContact O-CB 3.44Å; N637-E640 PolarHBondContact O-N 3.37Å; N637-I641 WeakPolarHBondContact O-CB 3.39Å; N637-I641 VanDerWaalsContact O-CG1 3.3Å; N637-I641 WeakPolarHBondContact O-CG1 3.29Å; N637-I641 PolarHBondContact O-N 2.83Å; N637-I641 VanDerWaalsContact OD1-CD1 3.26Å; N637-I641 WeakPolarHBondContact OD1-CD1 3.36Å |
| 638 | V | 72.8 | Confident | 73.3 | Confident | 90 Ų | 90 | 101 Ų | 101 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 172.1 | 168.6 | 0 | 0 | 0 | 0 | 112.4 | K634 Q635 L636 K642 | K634-V638 WeakPolarHBondContact O-CG2 3.48Å; K634-V638 PolarHBondContact O-N 3.47Å; Q635-V638 CarbonylContact O-C 3.58Å; Q635-V638 WeakPolarHBondContact O-CA 3.5Å; Q635-V638 WeakPolarHBondContact O-CB 3.46Å; Q635-V638 PolarHBondContact O-N 2.85Å; Q635-V638 VanDerWaalsContact O-N 3.11Å; L636-V638 VanDerWaalsContact C-N 3.34Å; L636-V638 PolarHBondContact O-N 3.11Å; V638-K642 PolarHBondContact O-N 3.33Å |
| 639 | Y | 71.9 | Confident | 73.4 | Confident | 144 Ų | 144 | 99.9 Ų | 99.9 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.7 | -38 | 172.2 | -72.9 | -63.5 | 0 | 0 | 0 | 112.2 | Q635 L636 N637 K642 V643 | Q635-Y639 HydrophobicContact CB-CE2 4.37Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.44Å; Q635-Y639 PolarHBondContact O-N 2.93Å; L636-Y639 CarbonylContact O-C 3.59Å; L636-Y639 WeakPolarHBondContact O-CA 3.31Å; L636-Y639 WeakPolarHBondContact O-CB 3.43Å; L636-Y639 PolarHBondContact O-N 3.17Å; L636-Y639 VanDerWaalsContact O-N 3.09Å; N637-Y639 VanDerWaalsContact C-N 3.34Å; N637-Y639 PolarHBondContact O-N 3.36Å; Y639-K642 CarbonylContact O-C 3.53Å; Y639-K642 WeakPolarHBondContact O-CA 3.36Å; Y639-K642 VanDerWaalsContact O-CB 3.23Å; Y639-K642 WeakPolarHBondContact O-CB 3.4Å; Y639-K642 PolarHBondContact O-N 3.18Å; Y639-V643 WeakPolarHBondContact O-CG2 3.35Å; Y639-V643 PolarHBondContact O-N 3.38Å |
| 640 | E | 72.5 | Confident | 73.7 | Confident | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175 | -172 | 176.9 | -175.2 | 0 | 0 | 111.1 | L636 N637 K642 V643 N644 | L636-E640 WeakPolarHBondContact O-CB 3.47Å; L636-E640 PolarHBondContact O-N 3.04Å; N637-E640 WeakPolarHBondContact O-CB 3.44Å; N637-E640 PolarHBondContact O-N 3.37Å; E640-K642 PolarHBondContact O-N 2.95Å; E640-V643 PolarHBondContact O-N 2.83Å; E640-V643 VanDerWaalsContact O-N 3.13Å; E640-N644 WeakPolarHBondContact O-CB 3.37Å; E640-N644 PolarHBondContact O-N 2.85Å; E640-N644 PolarHBondContact O-ND2 3.14Å; E640-N644 PolarHBondContact O-OD1 2.94Å |
| 641 | I | 74.6 | Confident | 74 | Confident | 102 Ų | 102 | 104.2 Ų | 104.2 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.3 | -35.2 | 170.1 | -69.6 | 166 | 0 | 0 | 0 | 111.4 | N637 K645 | N637-I641 WeakPolarHBondContact O-CB 3.39Å; N637-I641 VanDerWaalsContact O-CG1 3.3Å; N637-I641 WeakPolarHBondContact O-CG1 3.29Å; N637-I641 PolarHBondContact O-N 2.83Å; N637-I641 VanDerWaalsContact OD1-CD1 3.26Å; N637-I641 WeakPolarHBondContact OD1-CD1 3.36Å; I641-K645 WeakPolarHBondContact O-CB 3.35Å; I641-K645 PolarHBondContact O-N 2.85Å |
| 642 | K | 77.9 | Confident | 74 | Confident | 133 Ų | 133 | 104 Ų | 104 | 58% | 0.578 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.8 | -39.7 | 175.3 | -120.7 | 176.3 | -179.3 | 179.7 | 0 | 112.7 | V638 Y639 E640 K645 L646 | V638-K642 PolarHBondContact O-N 3.33Å; Y639-K642 CarbonylContact O-C 3.53Å; Y639-K642 WeakPolarHBondContact O-CA 3.36Å; Y639-K642 VanDerWaalsContact O-CB 3.23Å; Y639-K642 WeakPolarHBondContact O-CB 3.4Å; Y639-K642 PolarHBondContact O-N 3.18Å; E640-K642 PolarHBondContact O-N 2.95Å; K642-K645 PolarHBondContact O-N 2.77Å; K642-L646 WeakPolarHBondContact O-CG 3.42Å; K642-L646 PolarHBondContact O-N 3.3Å |
| 643 | V | 74.3 | Confident | 74.2 | Confident | 76 Ų | 76 | 101.5 Ų | 101.5 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -51.2 | 173.7 | 169.6 | 0 | 0 | 0 | 0 | 109.6 | Y639 E640 K645 L646 E647 | Y639-V643 WeakPolarHBondContact O-CG2 3.35Å; Y639-V643 PolarHBondContact O-N 3.38Å; E640-V643 PolarHBondContact O-N 2.83Å; E640-V643 VanDerWaalsContact O-N 3.13Å; V643-K645 PolarHBondContact O-N 2.99Å; V643-L646 CarbonylContact O-C 3.53Å; V643-L646 WeakPolarHBondContact O-CA 3.44Å; V643-L646 PolarHBondContact O-N 2.91Å; V643-E647 HydrophobicContact CG1-CG 4.33Å; V643-E647 PolarHBondContact O-N 3.26Å |
| 644 | N | 75.6 | Confident | 74.4 | Confident | 77 Ų | 77 | 103 Ų | 103 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.9 | -33.9 | 178.2 | -61.4 | -8 | 0 | 0 | 0 | 112 | E640 L648 | E640-N644 WeakPolarHBondContact O-CB 3.37Å; E640-N644 PolarHBondContact O-N 2.85Å; E640-N644 PolarHBondContact O-ND2 3.14Å; E640-N644 PolarHBondContact O-OD1 2.94Å; N644-L648 WeakPolarHBondContact O-CB 3.47Å; N644-L648 PolarHBondContact O-N 3.29Å |
| 645 | K | 78.9 | Confident | 74.3 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 171.1 | 176.9 | 171.6 | 171.2 | 175 | 0 | 112.3 | I641 K642 V643 E647 L648 E649 | I641-K645 WeakPolarHBondContact O-CB 3.35Å; I641-K645 PolarHBondContact O-N 2.85Å; K642-K645 PolarHBondContact O-N 2.77Å; V643-K645 PolarHBondContact O-N 2.99Å; K645-E647 VanDerWaalsContact C-N 3.31Å; K645-L648 WeakPolarHBondContact O-CB 3.5Å; K645-L648 PolarHBondContact O-N 2.87Å; K645-E649 WeakPolarHBondContact CE-OE1 3.43Å; K645-E649 IonicContact NZ-OE1 2.6Å; K645-E649 PolarHBondContact NZ-OE1 3.19Å; K645-E649 WeakPolarHBondContact O-CG 3.5Å; K645-E649 PolarHBondContact O-N 2.99Å |
| 646 | L | 77.1 | Confident | 74.3 | Confident | 107 Ų | 107 | 101.9 Ų | 101.9 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -31.9 | 176.8 | -72.7 | 168.4 | 0 | 0 | 0 | 112.2 | K642 V643 E649 L650 | K642-L646 WeakPolarHBondContact O-CG 3.42Å; K642-L646 PolarHBondContact O-N 3.3Å; V643-L646 CarbonylContact O-C 3.53Å; V643-L646 WeakPolarHBondContact O-CA 3.44Å; V643-L646 PolarHBondContact O-N 2.91Å; L646-E649 PolarHBondContact O-N 3Å; L646-L650 VanDerWaalsContact O-CB 3.22Å; L646-L650 WeakPolarHBondContact O-CB 3.44Å; L646-L650 PolarHBondContact O-N 3.43Å |
| 647 | E | 71.6 | Confident | 74.3 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 54% | 0.537 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 170.5 | -71.9 | -171.1 | 142.7 | 0 | 0 | 111.6 | V643 K645 L650 E651 | V643-E647 HydrophobicContact CG1-CG 4.33Å; V643-E647 PolarHBondContact O-N 3.26Å; K645-E647 VanDerWaalsContact C-N 3.31Å; E647-L650 PolarHBondContact O-N 2.85Å; E647-E651 WeakPolarHBondContact O-CB 2.75Å; E647-E651 PolarHBondContact O-N 3.5Å |
| 648 | L | 78.6 | Confident | 74.5 | Confident | 129 Ų | 129 | 100.1 Ų | 100.1 | 68% | 0.675 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 171.4 | -94.2 | 162.1 | 0 | 0 | 0 | 112.7 | N644 K645 E651 S652 | N644-L648 WeakPolarHBondContact O-CB 3.47Å; N644-L648 PolarHBondContact O-N 3.29Å; K645-L648 WeakPolarHBondContact O-CB 3.5Å; K645-L648 PolarHBondContact O-N 2.87Å; L648-E651 PolarHBondContact O-N 3.45Å; L648-S652 WeakPolarHBondContact O-CB 3.36Å; L648-S652 PolarHBondContact O-N 3.03Å |
| 649 | E | 76.8 | Confident | 74.4 | Confident | 93 Ų | 93 | 100.5 Ų | 100.5 | 44% | 0.435 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 174.9 | -73.9 | 175.6 | 176.4 | 0 | 0 | 111 | K645 L646 S652 A653 | K645-E649 WeakPolarHBondContact CE-OE1 3.43Å; K645-E649 IonicContact NZ-OE1 2.6Å; K645-E649 PolarHBondContact NZ-OE1 3.19Å; K645-E649 WeakPolarHBondContact O-CG 3.5Å; K645-E649 PolarHBondContact O-N 2.99Å; L646-E649 PolarHBondContact O-N 3Å; E649-S652 PolarHBondContact O-N 3.21Å; E649-S652 PolarHBondContact O-OG 2.89Å; E649-A653 PolarHBondContact O-N 3.14Å |
| 650 | L | 76.6 | Confident | 74.5 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.9 | -178.7 | 72.2 | 0 | 0 | 0 | 112.1 | L646 E647 A653 K654 | L646-L650 VanDerWaalsContact O-CB 3.22Å; L646-L650 WeakPolarHBondContact O-CB 3.44Å; L646-L650 PolarHBondContact O-N 3.43Å; E647-L650 PolarHBondContact O-N 2.85Å; L650-A653 CarbonylContact O-C 3.6Å; L650-A653 WeakPolarHBondContact O-CB 3.34Å; L650-A653 PolarHBondContact O-N 3.05Å; L650-A653 VanDerWaalsContact O-N 3.15Å; L650-K654 WeakPolarHBondContact O-CG 3.38Å; L650-K654 PolarHBondContact O-N 2.61Å |
| 651 | E | 75.7 | Confident | 74.6 | Confident | 100 Ų | 100 | 95.8 Ų | 95.8 | 47% | 0.467 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 179.3 | -152.6 | 63.9 | -145.9 | 0 | 0 | 111 | E647 L648 A653 K654 Q655 | E647-E651 WeakPolarHBondContact O-CB 2.75Å; E647-E651 PolarHBondContact O-N 3.5Å; L648-E651 PolarHBondContact O-N 3.45Å; E651-A653 VanDerWaalsContact C-N 3.25Å; E651-A653 PolarHBondContact O-N 2.9Å; E651-K654 PolarHBondContact O-N 3.45Å; E651-K654 IonicContact OE1-NZ 3.36Å; E651-K654 WeakPolarHBondContact OE2-CD 3.35Å; E651-K654 WeakPolarHBondContact OE2-CE 3.43Å; E651-K654 IonicContact OE2-NZ 2.8Å; E651-K654 PolarHBondContact OE2-NZ 3.16Å; E651-Q655 WeakPolarHBondContact O-CB 3.49Å; E651-Q655 PolarHBondContact O-N 3.45Å |
| 652 | S | 72.3 | Confident | 74.6 | Confident | 50 Ų | 50 | 96.1 Ų | 96.1 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -30.7 | 170.8 | 85.2 | 0 | 0 | 0 | 0 | 112.7 | L648 E649 K656 | L648-S652 WeakPolarHBondContact O-CB 3.36Å; L648-S652 PolarHBondContact O-N 3.03Å; E649-S652 PolarHBondContact O-N 3.21Å; E649-S652 PolarHBondContact O-OG 2.89Å; S652-K656 WeakPolarHBondContact O-CD 3.39Å; S652-K656 VanDerWaalsContact O-CG 3.32Å; S652-K656 WeakPolarHBondContact O-CG 3.34Å; S652-K656 PolarHBondContact O-N 3.26Å; S652-K656 VanDerWaalsContact O-N 3.13Å |
| 653 | A | 75.3 | Confident | 74.4 | Confident | 35 Ų | 35 | 93.9 Ų | 93.9 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.6 | -42.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E649 L650 E651 Q655 K656 F657 | E649-A653 PolarHBondContact O-N 3.14Å; L650-A653 CarbonylContact O-C 3.6Å; L650-A653 WeakPolarHBondContact O-CB 3.34Å; L650-A653 PolarHBondContact O-N 3.05Å; L650-A653 VanDerWaalsContact O-N 3.15Å; E651-A653 VanDerWaalsContact C-N 3.25Å; E651-A653 PolarHBondContact O-N 2.9Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; A653-Q655 PolarHBondContact O-N 3.02Å; A653-K656 PolarHBondContact O-N 2.78Å; A653-F657 WeakPolarHBondContact O-CD2 3.23Å; A653-F657 PolarHBondContact O-N 2.77Å |
| 654 | K | 71.8 | Confident | 74.2 | Confident | 106 Ų | 106 | 97.1 Ų | 97.1 | 46% | 0.461 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 171.4 | -69.9 | -177.4 | -157.5 | 157 | 0 | 111.6 | L650 E651 F657 G658 | L650-K654 WeakPolarHBondContact O-CG 3.38Å; L650-K654 PolarHBondContact O-N 2.61Å; E651-K654 PolarHBondContact O-N 3.45Å; E651-K654 IonicContact OE1-NZ 3.36Å; E651-K654 WeakPolarHBondContact OE2-CD 3.35Å; E651-K654 WeakPolarHBondContact OE2-CE 3.43Å; E651-K654 IonicContact OE2-NZ 2.8Å; E651-K654 PolarHBondContact OE2-NZ 3.16Å; K654-F657 CarbonylContact O-C 3.59Å; K654-F657 PolarHBondContact O-N 2.91Å; K654-G658 PolarHBondContact O-N 3.49Å |
| 655 | Q | 74.5 | Confident | 73.9 | Confident | 122 Ų | 122 | 98.9 Ų | 98.9 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.5 | -45.7 | 176.2 | -175.4 | -178.1 | -26.6 | 0 | 0 | 110.7 | E651 A653 F657 G658 E659 | E651-Q655 WeakPolarHBondContact O-CB 3.49Å; E651-Q655 PolarHBondContact O-N 3.45Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; A653-Q655 PolarHBondContact O-N 3.02Å; Q655-F657 VanDerWaalsContact C-N 3.34Å; Q655-F657 PolarHBondContact O-N 3.39Å; Q655-G658 CarbonylContact O-C 3.53Å; Q655-G658 WeakPolarHBondContact O-CA 3.43Å; Q655-G658 PolarHBondContact O-N 2.9Å; Q655-G658 VanDerWaalsContact O-N 3.1Å; Q655-E659 WeakPolarHBondContact CG-OE1 3.39Å; Q655-E659 PolarHBondContact NE2-OE1 3.47Å; Q655-E659 WeakPolarHBondContact O-CG 3.43Å; Q655-E659 PolarHBondContact O-N 2.99Å |
| 656 | K | 71.4 | Confident | 73.7 | Confident | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -38.6 | 174.1 | -73.6 | 166.4 | -176.6 | 167.8 | 0 | 112.8 | S652 A653 G658 I660 | S652-K656 WeakPolarHBondContact O-CD 3.39Å; S652-K656 VanDerWaalsContact O-CG 3.32Å; S652-K656 WeakPolarHBondContact O-CG 3.34Å; S652-K656 PolarHBondContact O-N 3.26Å; S652-K656 VanDerWaalsContact O-N 3.13Å; A653-K656 PolarHBondContact O-N 2.78Å; K656-G658 VanDerWaalsContact C-N 3.33Å; K656-I660 WeakPolarHBondContact O-CB 3.5Å; K656-I660 WeakPolarHBondContact O-CD1 3.49Å; K656-I660 WeakPolarHBondContact O-CG1 3.09Å; K656-I660 PolarHBondContact O-N 3.01Å |
| 657 | F | 69.3 | Low | 73.4 | Confident | 139 Ų | 139 | 99 Ų | 99 | 61% | 0.61 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.1 | -34.9 | 172.4 | -75.5 | -59.3 | 0 | 0 | 0 | 112 | A653 K654 Q655 I660 T661 | A653-F657 WeakPolarHBondContact O-CD2 3.23Å; A653-F657 PolarHBondContact O-N 2.77Å; K654-F657 CarbonylContact O-C 3.59Å; K654-F657 PolarHBondContact O-N 2.91Å; Q655-F657 VanDerWaalsContact C-N 3.34Å; Q655-F657 PolarHBondContact O-N 3.39Å; F657-I660 PolarHBondContact O-N 2.81Å; F657-T661 VanDerWaalsContact O-CB 3.32Å; F657-T661 WeakPolarHBondContact O-CB 3.17Å; F657-T661 PolarHBondContact O-N 3.25Å; F657-T661 PolarHBondContact O-OG1 3.37Å |
| 658 | G | 74.3 | Confident | 73.4 | Confident | 27 Ų | 27 | 98.2 Ų | 98.2 | 28% | 0.278 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.7 | -51.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | K654 Q655 K656 I660 T661 D662 | K654-G658 PolarHBondContact O-N 3.49Å; Q655-G658 CarbonylContact O-C 3.53Å; Q655-G658 WeakPolarHBondContact O-CA 3.43Å; Q655-G658 PolarHBondContact O-N 2.9Å; Q655-G658 VanDerWaalsContact O-N 3.1Å; K656-G658 VanDerWaalsContact C-N 3.33Å; G658-I660 VanDerWaalsContact C-N 3.31Å; G658-I660 PolarHBondContact O-N 3.46Å; G658-T661 CarbonylContact O-C 3.59Å; G658-T661 PolarHBondContact O-N 3.27Å; G658-T661 VanDerWaalsContact O-N 3.11Å; G658-D662 WeakPolarHBondContact O-CB 3.32Å; G658-D662 PolarHBondContact O-N 3.01Å |
| 659 | E | 72.3 | Confident | 73.2 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 45% | 0.453 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 175.5 | -70.6 | 165.6 | -174.4 | 0 | 0 | 111.7 | Q655 T663 | Q655-E659 WeakPolarHBondContact CG-OE1 3.39Å; Q655-E659 PolarHBondContact NE2-OE1 3.47Å; Q655-E659 WeakPolarHBondContact O-CG 3.43Å; Q655-E659 PolarHBondContact O-N 2.99Å; E659-T663 WeakPolarHBondContact O-CG2 3.43Å; E659-T663 PolarHBondContact O-N 2.93Å; E659-T663 PolarHBondContact O-OG1 3.2Å |
| 660 | I | 74.3 | Confident | 73 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 41% | 0.41 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 173.2 | -72.1 | 165.6 | 0 | 0 | 0 | 110.9 | K656 F657 G658 D662 T663 Y664 | K656-I660 WeakPolarHBondContact O-CB 3.5Å; K656-I660 WeakPolarHBondContact O-CD1 3.49Å; K656-I660 WeakPolarHBondContact O-CG1 3.09Å; K656-I660 PolarHBondContact O-N 3.01Å; F657-I660 PolarHBondContact O-N 2.81Å; G658-I660 VanDerWaalsContact C-N 3.31Å; G658-I660 PolarHBondContact O-N 3.46Å; I660-D662 PolarHBondContact O-N 2.77Å; I660-T663 WeakPolarHBondContact CA-OG1 3.5Å; I660-T663 PolarHBondContact O-N 3.13Å; I660-T663 PolarHBondContact O-OG1 3.18Å; I660-Y664 HydrophobicContact CG2-CD2 3.75Å; I660-Y664 HydrophobicContact CG2-CE2 3.5Å; I660-Y664 VanDerWaalsContact CG2-CE2 3.5Å; I660-Y664 VanDerWaalsContact O-CD2 3.28Å; I660-Y664 WeakPolarHBondContact O-CD2 3.41Å; I660-Y664 PolarHBondContact O-N 3.27Å |
| 661 | T | 73.2 | Confident | 72.8 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 47% | 0.466 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 110.8 | F657 G658 T663 Y664 Q665 | F657-T661 VanDerWaalsContact O-CB 3.32Å; F657-T661 WeakPolarHBondContact O-CB 3.17Å; F657-T661 PolarHBondContact O-N 3.25Å; F657-T661 PolarHBondContact O-OG1 3.37Å; G658-T661 CarbonylContact O-C 3.59Å; G658-T661 PolarHBondContact O-N 3.27Å; G658-T661 VanDerWaalsContact O-N 3.11Å; T661-T663 VanDerWaalsContact C-N 3.34Å; T661-T663 PolarHBondContact O-N 2.8Å; T661-Y664 CarbonylContact O-C 3.59Å; T661-Y664 PolarHBondContact O-N 3.07Å; T661-Y664 VanDerWaalsContact O-N 3.16Å; T661-Q665 VanDerWaalsContact O-CB 3.29Å; T661-Q665 WeakPolarHBondContact O-CB 3.46Å; T661-Q665 PolarHBondContact O-N 2.77Å |
| 662 | D | 74.5 | Confident | 72.4 | Confident | 110 Ų | 110 | 96.3 Ų | 96.3 | 59% | 0.588 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.1 | -35.9 | 177.8 | -73.6 | -23.2 | 0 | 0 | 0 | 111.9 | G658 I660 Q665 K666 | G658-D662 WeakPolarHBondContact O-CB 3.32Å; G658-D662 PolarHBondContact O-N 3.01Å; I660-D662 PolarHBondContact O-N 2.77Å; D662-Q665 PolarHBondContact O-N 3.09Å; D662-K666 WeakPolarHBondContact O-CB 3.49Å; D662-K666 PolarHBondContact O-N 2.85Å |
| 663 | T | 73.8 | Confident | 72.3 | Confident | 86 Ų | 86 | 97.6 Ų | 97.6 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.4 | -37.5 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 113 | E659 I660 T661 E667 | E659-T663 WeakPolarHBondContact O-CG2 3.43Å; E659-T663 PolarHBondContact O-N 2.93Å; E659-T663 PolarHBondContact O-OG1 3.2Å; I660-T663 WeakPolarHBondContact CA-OG1 3.5Å; I660-T663 PolarHBondContact O-N 3.13Å; I660-T663 PolarHBondContact O-OG1 3.18Å; T661-T663 VanDerWaalsContact C-N 3.34Å; T661-T663 PolarHBondContact O-N 2.8Å; T663-E667 PolarHBondContact O-N 3.23Å |
| 664 | Y | 69.6 | Low | 72 | Confident | 144 Ų | 144 | 98.9 Ų | 98.9 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -72.5 | -36.8 | 172.6 | -72.8 | -55 | 0 | 0 | 0 | 112.6 | I660 T661 K666 E667 I668 | I660-Y664 HydrophobicContact CG2-CD2 3.75Å; I660-Y664 HydrophobicContact CG2-CE2 3.5Å; I660-Y664 VanDerWaalsContact CG2-CE2 3.5Å; I660-Y664 VanDerWaalsContact O-CD2 3.28Å; I660-Y664 WeakPolarHBondContact O-CD2 3.41Å; I660-Y664 PolarHBondContact O-N 3.27Å; T661-Y664 CarbonylContact O-C 3.59Å; T661-Y664 PolarHBondContact O-N 3.07Å; T661-Y664 VanDerWaalsContact O-N 3.16Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 2.81Å; Y664-E667 PolarHBondContact O-N 2.91Å; Y664-I668 WeakPolarHBondContact O-CB 3.32Å; Y664-I668 WeakPolarHBondContact O-CD1 3.41Å; Y664-I668 VanDerWaalsContact O-CG1 3.23Å; Y664-I668 WeakPolarHBondContact O-CG1 3.09Å; Y664-I668 PolarHBondContact O-N 2.79Å |
| 665 | Q | 69.6 | Low | 71.9 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 174.3 | -155.6 | 79.2 | 11.8 | 0 | 0 | 109.9 | T661 D662 I668 E669 | T661-Q665 VanDerWaalsContact O-CB 3.29Å; T661-Q665 WeakPolarHBondContact O-CB 3.46Å; T661-Q665 PolarHBondContact O-N 2.77Å; D662-Q665 PolarHBondContact O-N 3.09Å; Q665-I668 PolarHBondContact O-N 3.44Å; Q665-E669 WeakPolarHBondContact O-CB 3.22Å; Q665-E669 PolarHBondContact O-N 2.74Å |
| 666 | K | 75.2 | Confident | 71.5 | Confident | 133 Ų | 133 | 100.5 Ų | 100.5 | 58% | 0.578 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -71.7 | -41.1 | 174.6 | -172.7 | 175 | 178.8 | -176.4 | 0 | 112.6 | D662 Y664 I668 E669 D670 | D662-K666 WeakPolarHBondContact O-CB 3.49Å; D662-K666 PolarHBondContact O-N 2.85Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 2.81Å; K666-I668 PolarHBondContact O-N 2.62Å; K666-E669 PolarHBondContact O-N 3.11Å; K666-D670 VanDerWaalsContact O-CB 3.28Å; K666-D670 WeakPolarHBondContact O-CB 2.99Å; K666-D670 VanDerWaalsContact O-CG 3.31Å; K666-D670 PolarHBondContact O-N 2.89Å |
| 667 | E | 72.1 | Confident | 71.2 | Confident | 98 Ų | 98 | 99 Ų | 99 | 46% | 0.458 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59 | -38 | 170 | -89.9 | -155.3 | 177.9 | 0 | 0 | 111.9 | T663 Y664 K671 | T663-E667 PolarHBondContact O-N 3.23Å; Y664-E667 PolarHBondContact O-N 2.91Å; E667-K671 WeakPolarHBondContact O-CB 3.48Å; E667-K671 VanDerWaalsContact O-CD 3.3Å; E667-K671 WeakPolarHBondContact O-CD 3.43Å; E667-K671 WeakPolarHBondContact O-CG 3.22Å; E667-K671 PolarHBondContact O-N 3.1Å; E667-K671 IonicContact OE2-NZ 2.88Å; E667-K671 PolarHBondContact OE2-NZ 3.44Å |
| 668 | I | 70.9 | Confident | 71.2 | Confident | 98 Ų | 98 | 97.4 Ų | 97.4 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -45 | 176.4 | -73.5 | 164.3 | 0 | 0 | 0 | 110.2 | Y664 Q665 K666 K671 K672 | Y664-I668 WeakPolarHBondContact O-CB 3.32Å; Y664-I668 WeakPolarHBondContact O-CD1 3.41Å; Y664-I668 VanDerWaalsContact O-CG1 3.23Å; Y664-I668 WeakPolarHBondContact O-CG1 3.09Å; Y664-I668 PolarHBondContact O-N 2.79Å; Q665-I668 PolarHBondContact O-N 3.44Å; K666-I668 PolarHBondContact O-N 2.62Å; I668-K671 PolarHBondContact O-N 2.76Å; I668-K672 WeakPolarHBondContact O-CB 3.28Å; I668-K672 PolarHBondContact O-N 2.85Å |
| 669 | E | 74.3 | Confident | 70.8 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.1 | -38.8 | 180 | -156.9 | 68.1 | -161.7 | 0 | 0 | 111.8 | Q665 K666 K672 I673 | Q665-E669 WeakPolarHBondContact O-CB 3.22Å; Q665-E669 PolarHBondContact O-N 2.74Å; K666-E669 PolarHBondContact O-N 3.11Å; E669-K672 PolarHBondContact O-N 3.37Å; E669-K672 IonicContact OE1-NZ 2.69Å; E669-K672 PolarHBondContact OE1-NZ 3.49Å; E669-K672 IonicContact OE2-NZ 2.71Å; E669-K672 PolarHBondContact OE2-NZ 3.24Å; E669-I673 HydrophobicContact CG-CD1 4.47Å; E669-I673 WeakPolarHBondContact O-CB 3.45Å; E669-I673 WeakPolarHBondContact O-CD1 3.29Å; E669-I673 VanDerWaalsContact O-CG1 3.22Å; E669-I673 WeakPolarHBondContact O-CG1 3.17Å; E669-I673 PolarHBondContact O-N 3.27Å |
| 670 | D | 71.5 | Confident | 70.6 | Confident | 88 Ų | 88 | 101.3 Ų | 101.3 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 173.2 | -72.5 | -24.8 | 0 | 0 | 0 | 111.1 | K666 I673 S674 | K666-D670 VanDerWaalsContact O-CB 3.28Å; K666-D670 WeakPolarHBondContact O-CB 2.99Å; K666-D670 VanDerWaalsContact O-CG 3.31Å; K666-D670 PolarHBondContact O-N 2.89Å; D670-I673 PolarHBondContact O-N 3.13Å; D670-S674 PolarHBondContact O-N 3.47Å |
| 671 | K | 72.2 | Confident | 70.3 | Confident | 116 Ų | 116 | 103.6 Ų | 103.6 | 50% | 0.504 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 172 | -77.4 | 165 | -169.3 | 158.9 | 0 | 111.5 | E667 I668 I673 S674 E675 | E667-K671 WeakPolarHBondContact O-CB 3.48Å; E667-K671 VanDerWaalsContact O-CD 3.3Å; E667-K671 WeakPolarHBondContact O-CD 3.43Å; E667-K671 WeakPolarHBondContact O-CG 3.22Å; E667-K671 PolarHBondContact O-N 3.1Å; E667-K671 IonicContact OE2-NZ 2.88Å; E667-K671 PolarHBondContact OE2-NZ 3.44Å; I668-K671 PolarHBondContact O-N 2.76Å; K671-I673 VanDerWaalsContact C-N 3.35Å; K671-S674 CarbonylContact O-C 3.55Å; K671-S674 WeakPolarHBondContact O-CA 3.43Å; K671-S674 WeakPolarHBondContact O-CB 3.28Å; K671-S674 PolarHBondContact O-N 2.79Å; K671-S674 VanDerWaalsContact O-N 3.09Å; K671-S674 PolarHBondContact O-OG 2.65Å; K671-E675 WeakPolarHBondContact O-CB 3.32Å; K671-E675 PolarHBondContact O-N 3.26Å |
| 672 | K | 68.1 | Low | 69.9 | Low | 93 Ų | 93 | 104 Ų | 104 | 40% | 0.404 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 176.2 | 174.7 | -178.8 | 161.3 | -138.1 | 0 | 112.2 | I668 E669 E675 E676 | I668-K672 WeakPolarHBondContact O-CB 3.28Å; I668-K672 PolarHBondContact O-N 2.85Å; E669-K672 PolarHBondContact O-N 3.37Å; E669-K672 IonicContact OE1-NZ 2.69Å; E669-K672 PolarHBondContact OE1-NZ 3.49Å; E669-K672 IonicContact OE2-NZ 2.71Å; E669-K672 PolarHBondContact OE2-NZ 3.24Å; K672-E675 PolarHBondContact O-N 2.82Å; K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.18Å; K672-E676 PolarHBondContact O-N 3.38Å |
| 673 | I | 71.2 | Confident | 69.3 | Low | 78 Ų | 78 | 102.9 Ų | 102.9 | 40% | 0.4 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.4 | -39.7 | 170.3 | -71.2 | 162.5 | 0 | 0 | 0 | 110.3 | E669 D670 K671 E675 E676 N677 | E669-I673 HydrophobicContact CG-CD1 4.47Å; E669-I673 WeakPolarHBondContact O-CB 3.45Å; E669-I673 WeakPolarHBondContact O-CD1 3.29Å; E669-I673 VanDerWaalsContact O-CG1 3.22Å; E669-I673 WeakPolarHBondContact O-CG1 3.17Å; E669-I673 PolarHBondContact O-N 3.27Å; D670-I673 PolarHBondContact O-N 3.13Å; K671-I673 VanDerWaalsContact C-N 3.35Å; I673-E675 VanDerWaalsContact C-N 3.35Å; I673-E676 PolarHBondContact O-N 3.15Å; I673-N677 PolarHBondContact O-N 2.77Å; I673-N677 PolarHBondContact O-ND2 2.64Å |
| 674 | S | 67.8 | Low | 69.1 | Low | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -36 | 173.9 | 79.3 | 0 | 0 | 0 | 0 | 112.8 | D670 K671 L678 | D670-S674 PolarHBondContact O-N 3.47Å; K671-S674 CarbonylContact O-C 3.55Å; K671-S674 WeakPolarHBondContact O-CA 3.43Å; K671-S674 WeakPolarHBondContact O-CB 3.28Å; K671-S674 PolarHBondContact O-N 2.79Å; K671-S674 VanDerWaalsContact O-N 3.09Å; K671-S674 PolarHBondContact O-OG 2.65Å; S674-L678 WeakPolarHBondContact O-CB 3.32Å; S674-L678 WeakPolarHBondContact O-CG 3.49Å; S674-L678 PolarHBondContact O-N 2.77Å |
| 675 | E | 69.1 | Low | 68.8 | Low | 136 Ų | 136 | 99.8 Ų | 99.8 | 64% | 0.636 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.5 | -39.3 | 173.9 | -174.2 | 174 | -162 | 0 | 0 | 111.1 | K671 K672 I673 L678 L679 | K671-E675 WeakPolarHBondContact O-CB 3.32Å; K671-E675 PolarHBondContact O-N 3.26Å; K672-E675 PolarHBondContact O-N 2.82Å; I673-E675 VanDerWaalsContact C-N 3.35Å; E675-L678 CarbonylContact O-C 3.54Å; E675-L678 PolarHBondContact O-N 2.63Å; E675-L679 VanDerWaalsContact O-CB 3.29Å; E675-L679 WeakPolarHBondContact O-CB 3.37Å; E675-L679 PolarHBondContact O-N 2.76Å |
| 676 | E | 66.3 | Low | 68.6 | Low | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.584 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.3 | -33.7 | 176.5 | -169.9 | 163.7 | -151.1 | 0 | 0 | 112.2 | K672 I673 L679 E680 | K672-E676 VanDerWaalsContact O-CB 3.24Å; K672-E676 WeakPolarHBondContact O-CB 3.18Å; K672-E676 PolarHBondContact O-N 3.38Å; I673-E676 PolarHBondContact O-N 3.15Å; E676-L679 CarbonylContact O-C 3.57Å; E676-L679 WeakPolarHBondContact O-CB 3.38Å; E676-L679 PolarHBondContact O-N 2.98Å; E676-E680 PolarHBondContact O-N 3.34Å |
| 677 | N | 66.5 | Low | 68.4 | Low | 92 Ų | 92 | 96.5 Ų | 96.5 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 169.2 | -81.5 | -82.1 | 0 | 0 | 0 | 111.8 | I673 L679 E680 E681 | I673-N677 PolarHBondContact O-N 2.77Å; I673-N677 PolarHBondContact O-ND2 2.64Å; N677-L679 VanDerWaalsContact C-N 3.28Å; N677-L679 PolarHBondContact O-N 3.35Å; N677-E680 PolarHBondContact O-N 2.84Å; N677-E681 PolarHBondContact O-N 3.32Å |
| 678 | L | 67.9 | Low | 68.3 | Low | 106 Ų | 106 | 97.4 Ų | 97.4 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 172.5 | -74.5 | 169.2 | 0 | 0 | 0 | 111.5 | S674 E675 E681 V682 | S674-L678 WeakPolarHBondContact O-CB 3.32Å; S674-L678 WeakPolarHBondContact O-CG 3.49Å; S674-L678 PolarHBondContact O-N 2.77Å; E675-L678 CarbonylContact O-C 3.54Å; E675-L678 PolarHBondContact O-N 2.63Å; L678-E681 PolarHBondContact O-N 3.36Å; L678-V682 WeakPolarHBondContact O-CB 3.47Å; L678-V682 VanDerWaalsContact O-CG2 3.28Å; L678-V682 WeakPolarHBondContact O-CG2 3.48Å; L678-V682 PolarHBondContact O-N 2.82Å |
| 679 | L | 67.1 | Low | 68.2 | Low | 105 Ų | 105 | 95.1 Ų | 95.1 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 172.8 | -157.9 | 78.9 | 0 | 0 | 0 | 110.8 | E675 E676 N677 V682 E683 | E675-L679 VanDerWaalsContact O-CB 3.29Å; E675-L679 WeakPolarHBondContact O-CB 3.37Å; E675-L679 PolarHBondContact O-N 2.76Å; E676-L679 CarbonylContact O-C 3.57Å; E676-L679 WeakPolarHBondContact O-CB 3.38Å; E676-L679 PolarHBondContact O-N 2.98Å; N677-L679 VanDerWaalsContact C-N 3.28Å; N677-L679 PolarHBondContact O-N 3.35Å; L679-V682 CarbonylContact O-C 3.55Å; L679-V682 PolarHBondContact O-N 3.46Å; L679-E683 VanDerWaalsContact O-CB 3.26Å; L679-E683 WeakPolarHBondContact O-CB 3.1Å; L679-E683 PolarHBondContact O-N 3.46Å |
| 680 | E | 67 | Low | 67.9 | Low | 101 Ų | 101 | 94.9 Ų | 94.9 | 47% | 0.472 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 174.7 | -152.2 | -161.3 | 143.7 | 0 | 0 | 111.8 | E676 N677 E683 K684 | E676-E680 PolarHBondContact O-N 3.34Å; N677-E680 PolarHBondContact O-N 2.84Å; E680-E683 PolarHBondContact O-N 2.9Å; E680-K684 WeakPolarHBondContact O-CB 3.3Å; E680-K684 VanDerWaalsContact O-CD 3.32Å; E680-K684 WeakPolarHBondContact O-CD 3.23Å; E680-K684 WeakPolarHBondContact O-CG 3.48Å; E680-K684 PolarHBondContact O-N 3.25Å; E680-K684 WeakPolarHBondContact OE1-CE 3.5Å; E680-K684 IonicContact OE1-NZ 2.7Å; E680-K684 PolarHBondContact OE1-NZ 2.85Å; E680-K684 IonicContact OE2-NZ 3.16Å |
| 681 | E | 68.1 | Low | 67.9 | Low | 129 Ų | 129 | 96.5 Ų | 96.5 | 60% | 0.603 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -42.6 | 169.4 | -72.1 | -162 | 139.1 | 0 | 0 | 112.2 | N677 L678 K684 A685 | N677-E681 PolarHBondContact O-N 3.32Å; L678-E681 PolarHBondContact O-N 3.36Å; E681-K684 PolarHBondContact O-N 2.8Å; E681-A685 WeakPolarHBondContact O-CB 3.4Å; E681-A685 PolarHBondContact O-N 3.27Å |
| 682 | V | 64.9 | Low | 67.6 | Low | 85 Ų | 85 | 93.6 Ų | 93.6 | 52% | 0.515 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.5 | 165.5 | 0 | 0 | 0 | 0 | 111.2 | L678 L679 A685 K686 | L678-V682 WeakPolarHBondContact O-CB 3.47Å; L678-V682 VanDerWaalsContact O-CG2 3.28Å; L678-V682 WeakPolarHBondContact O-CG2 3.48Å; L678-V682 PolarHBondContact O-N 2.82Å; L679-V682 CarbonylContact O-C 3.55Å; L679-V682 PolarHBondContact O-N 3.46Å; V682-A685 PolarHBondContact O-N 3.49Å; V682-K686 WeakPolarHBondContact O-CB 3.24Å; V682-K686 PolarHBondContact O-N 3.4Å |
| 683 | E | 63.3 | Low | 67.8 | Low | 86 Ų | 86 | 91.9 Ų | 91.9 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.4 | -34.1 | 179.6 | -152.9 | 69.8 | -162.2 | 0 | 0 | 110.9 | L679 E680 K686 V687 | L679-E683 VanDerWaalsContact O-CB 3.26Å; L679-E683 WeakPolarHBondContact O-CB 3.1Å; L679-E683 PolarHBondContact O-N 3.46Å; E680-E683 PolarHBondContact O-N 2.9Å; E683-K686 PolarHBondContact O-N 2.72Å; E683-K686 WeakPolarHBondContact OE1-CE 3.17Å; E683-K686 IonicContact OE1-NZ 2.7Å; E683-K686 PolarHBondContact OE1-NZ 3.16Å; E683-K686 WeakPolarHBondContact OE2-CD 3.11Å; E683-K686 IonicContact OE2-NZ 2.65Å; E683-K686 PolarHBondContact OE2-NZ 3Å; E683-V687 WeakPolarHBondContact O-CG2 3.38Å; E683-V687 PolarHBondContact O-N 2.94Å |
| 684 | K | 67.9 | Low | 67.8 | Low | 108 Ų | 108 | 94.9 Ų | 94.9 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -47.9 | 167.9 | -73.5 | 160.8 | -171 | 157.9 | 0 | 111.8 | E680 E681 K686 V687 I688 | E680-K684 WeakPolarHBondContact O-CB 3.3Å; E680-K684 VanDerWaalsContact O-CD 3.32Å; E680-K684 WeakPolarHBondContact O-CD 3.23Å; E680-K684 WeakPolarHBondContact O-CG 3.48Å; E680-K684 PolarHBondContact O-N 3.25Å; E680-K684 WeakPolarHBondContact OE1-CE 3.5Å; E680-K684 IonicContact OE1-NZ 2.7Å; E680-K684 PolarHBondContact OE1-NZ 2.85Å; E680-K684 IonicContact OE2-NZ 3.16Å; E681-K684 PolarHBondContact O-N 2.8Å; K684-K686 VanDerWaalsContact C-N 3.25Å; K684-K686 PolarHBondContact O-N 3.44Å; K684-V687 PolarHBondContact O-N 2.79Å; K684-I688 WeakPolarHBondContact O-CG1 3.34Å; K684-I688 PolarHBondContact O-N 2.93Å |
| 685 | A | 64.6 | Low | 67.9 | Low | 57 Ų | 57 | 97.2 Ų | 97.2 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -33.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E681 V682 I688 A689 | E681-A685 WeakPolarHBondContact O-CB 3.4Å; E681-A685 PolarHBondContact O-N 3.27Å; V682-A685 PolarHBondContact O-N 3.49Å; A685-I688 PolarHBondContact O-N 3.5Å; A685-A689 WeakPolarHBondContact O-CB 3.34Å; A685-A689 PolarHBondContact O-N 2.96Å |
| 686 | K | 63.8 | Low | 67.8 | Low | 95 Ų | 95 | 95.2 Ų | 95.2 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.9 | -35.2 | 176.6 | 178.9 | -179 | 167.6 | -154.4 | 0 | 112.6 | V682 E683 K684 A689 D690 | V682-K686 WeakPolarHBondContact O-CB 3.24Å; V682-K686 PolarHBondContact O-N 3.4Å; E683-K686 PolarHBondContact O-N 2.72Å; E683-K686 WeakPolarHBondContact OE1-CE 3.17Å; E683-K686 IonicContact OE1-NZ 2.7Å; E683-K686 PolarHBondContact OE1-NZ 3.16Å; E683-K686 WeakPolarHBondContact OE2-CD 3.11Å; E683-K686 IonicContact OE2-NZ 2.65Å; E683-K686 PolarHBondContact OE2-NZ 3Å; K684-K686 VanDerWaalsContact C-N 3.25Å; K684-K686 PolarHBondContact O-N 3.44Å; K686-A689 CarbonylContact O-C 3.49Å; K686-A689 PolarHBondContact O-N 3.42Å; K686-D690 WeakPolarHBondContact O-CB 3.38Å; K686-D690 PolarHBondContact O-N 3.17Å |
| 687 | V | 71.5 | Confident | 68 | Low | 82 Ų | 82 | 95.2 Ų | 95.2 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 168 | 166.8 | 0 | 0 | 0 | 0 | 110.6 | E683 K684 A689 D690 E691 | E683-V687 WeakPolarHBondContact O-CG2 3.38Å; E683-V687 PolarHBondContact O-N 2.94Å; K684-V687 PolarHBondContact O-N 2.79Å; V687-A689 VanDerWaalsContact C-N 3.32Å; V687-A689 PolarHBondContact O-N 3.47Å; V687-D690 PolarHBondContact O-N 2.82Å; V687-E691 PolarHBondContact O-N 3.01Å |
| 688 | I | 70.2 | Confident | 68.1 | Low | 118 Ų | 118 | 95.3 Ų | 95.3 | 61% | 0.605 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 173.7 | -66.9 | 165.4 | 0 | 0 | 0 | 110.7 | K684 A685 E691 A692 | K684-I688 WeakPolarHBondContact O-CG1 3.34Å; K684-I688 PolarHBondContact O-N 2.93Å; A685-I688 PolarHBondContact O-N 3.5Å; I688-E691 PolarHBondContact O-N 3.38Å; I688-A692 WeakPolarHBondContact O-CB 3.45Å; I688-A692 PolarHBondContact O-N 2.78Å |
| 689 | A | 68.1 | Low | 68.3 | Low | 50 Ų | 50 | 93.9 Ų | 93.9 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A685 K686 V687 A692 V693 | A685-A689 WeakPolarHBondContact O-CB 3.34Å; A685-A689 PolarHBondContact O-N 2.96Å; K686-A689 CarbonylContact O-C 3.49Å; K686-A689 PolarHBondContact O-N 3.42Å; V687-A689 VanDerWaalsContact C-N 3.32Å; V687-A689 PolarHBondContact O-N 3.47Å; A689-A692 PolarHBondContact O-N 2.78Å; A689-V693 VanDerWaalsContact O-CB 3.24Å; A689-V693 WeakPolarHBondContact O-CB 3.26Å; A689-V693 WeakPolarHBondContact O-CG2 3.04Å; A689-V693 PolarHBondContact O-N 3.36Å |
| 690 | D | 68.6 | Low | 68.4 | Low | 81 Ų | 81 | 91.9 Ų | 91.9 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.1 | -27.7 | 177.1 | -93.5 | -34.3 | 0 | 0 | 0 | 112.6 | K686 V687 K694 | K686-D690 WeakPolarHBondContact O-CB 3.38Å; K686-D690 PolarHBondContact O-N 3.17Å; V687-D690 PolarHBondContact O-N 2.82Å; D690-K694 WeakPolarHBondContact O-CB 3.29Å; D690-K694 WeakPolarHBondContact O-CD 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.43Å; D690-K694 PolarHBondContact O-N 3.34Å |
| 691 | E | 71.6 | Confident | 68.7 | Low | 121 Ų | 121 | 93.3 Ų | 93.3 | 57% | 0.565 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.6 | -43.3 | 166.6 | -72.2 | -157.9 | 133.4 | 0 | 0 | 111.7 | V687 I688 V693 K694 L695 | V687-E691 PolarHBondContact O-N 3.01Å; I688-E691 PolarHBondContact O-N 3.38Å; E691-V693 VanDerWaalsContact C-N 3.31Å; E691-V693 PolarHBondContact O-N 2.9Å; E691-K694 PolarHBondContact O-N 3.38Å; E691-L695 PolarHBondContact O-N 2.94Å |
| 692 | A | 65.6 | Low | 68.6 | Low | 55 Ų | 55 | 94.1 Ų | 94.1 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I688 A689 L695 Q696 | I688-A692 WeakPolarHBondContact O-CB 3.45Å; I688-A692 PolarHBondContact O-N 2.78Å; A689-A692 PolarHBondContact O-N 2.78Å; A692-L695 PolarHBondContact O-N 2.8Å; A692-Q696 VanDerWaalsContact O-CB 3.31Å; A692-Q696 WeakPolarHBondContact O-CB 3.47Å; A692-Q696 PolarHBondContact O-N 3.44Å |
| 693 | V | 72.1 | Confident | 68.4 | Low | 57 Ų | 57 | 92.9 Ų | 92.9 | 35% | 0.345 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -73.4 | -29.3 | 176.3 | 164.7 | 0 | 0 | 0 | 0 | 112.1 | A689 E691 K697 | A689-V693 VanDerWaalsContact O-CB 3.24Å; A689-V693 WeakPolarHBondContact O-CB 3.26Å; A689-V693 WeakPolarHBondContact O-CG2 3.04Å; A689-V693 PolarHBondContact O-N 3.36Å; E691-V693 VanDerWaalsContact C-N 3.31Å; E691-V693 PolarHBondContact O-N 2.9Å; V693-K697 HydrophobicContact CG1-CD 3.82Å; V693-K697 VanDerWaalsContact CG1-CE 3.41Å; V693-K697 HydrophobicContact CG1-CG 4.44Å; V693-K697 VanDerWaalsContact O-CB 3.25Å; V693-K697 WeakPolarHBondContact O-CB 3.18Å; V693-K697 WeakPolarHBondContact O-CD 3.39Å; V693-K697 WeakPolarHBondContact O-CG 3.28Å; V693-K697 PolarHBondContact O-N 2.98Å |
| 694 | K | 71.4 | Confident | 68.3 | Low | 142 Ų | 142 | 95.2 Ų | 95.2 | 62% | 0.617 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.1 | -46.2 | 168.2 | -80.6 | 165.4 | -174.9 | 166.2 | 0 | 111.2 | D690 E691 Q696 K697 E698 | D690-K694 WeakPolarHBondContact O-CB 3.29Å; D690-K694 WeakPolarHBondContact O-CD 3.32Å; D690-K694 WeakPolarHBondContact O-CG 3.43Å; D690-K694 PolarHBondContact O-N 3.34Å; E691-K694 PolarHBondContact O-N 3.38Å; K694-Q696 VanDerWaalsContact C-N 3.35Å; K694-Q696 PolarHBondContact O-N 3.09Å; K694-K697 PolarHBondContact O-N 2.67Å; K694-E698 WeakPolarHBondContact O-CB 3.4Å; K694-E698 PolarHBondContact O-N 2.82Å |
| 695 | L | 70.3 | Confident | 68.4 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 58% | 0.581 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -58.7 | -46.1 | 173.6 | -86 | 163.4 | 0 | 0 | 0 | 111.2 | E691 A692 E698 I699 | E691-L695 PolarHBondContact O-N 2.94Å; A692-L695 PolarHBondContact O-N 2.8Å; L695-E698 PolarHBondContact O-N 3.47Å; L695-I699 VanDerWaalsContact O-CG1 3.29Å; L695-I699 WeakPolarHBondContact O-CG1 3.37Å; L695-I699 PolarHBondContact O-N 2.6Å |
| 696 | Q | 68.1 | Low | 69 | Low | 94 Ų | 94 | 99.3 Ų | 99.3 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 174.8 | -175.6 | 58.3 | 40.3 | 0 | 0 | 111.5 | A692 K694 E698 I699 D700 | A692-Q696 VanDerWaalsContact O-CB 3.31Å; A692-Q696 WeakPolarHBondContact O-CB 3.47Å; A692-Q696 PolarHBondContact O-N 3.44Å; K694-Q696 VanDerWaalsContact C-N 3.35Å; K694-Q696 PolarHBondContact O-N 3.09Å; Q696-E698 VanDerWaalsContact C-N 3.28Å; Q696-E698 PolarHBondContact O-N 2.91Å; Q696-I699 CarbonylContact O-C 2.89Å; Q696-I699 PolarHBondContact O-N 2.85Å; Q696-D700 PolarHBondContact NE2-OD1 3.3Å; Q696-D700 VanDerWaalsContact NE2-OD1 3.14Å; Q696-D700 PolarHBondContact NE2-OD2 2.83Å; Q696-D700 WeakPolarHBondContact O-CB 3.22Å; Q696-D700 PolarHBondContact O-N 3.49Å |
| 697 | K | 69.8 | Low | 69.3 | Low | 125 Ų | 125 | 99.7 Ų | 99.7 | 54% | 0.543 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 176.5 | -75.1 | 165.4 | -178.2 | 164.2 | 0 | 113.2 | V693 K694 K701 | V693-K697 HydrophobicContact CG1-CD 3.82Å; V693-K697 VanDerWaalsContact CG1-CE 3.41Å; V693-K697 HydrophobicContact CG1-CG 4.44Å; V693-K697 VanDerWaalsContact O-CB 3.25Å; V693-K697 WeakPolarHBondContact O-CB 3.18Å; V693-K697 WeakPolarHBondContact O-CD 3.39Å; V693-K697 WeakPolarHBondContact O-CG 3.28Å; V693-K697 PolarHBondContact O-N 2.98Å; K694-K697 PolarHBondContact O-N 2.67Å; K697-K701 VanDerWaalsContact O-CB 3.25Å; K697-K701 WeakPolarHBondContact O-CB 3.33Å; K697-K701 WeakPolarHBondContact O-CG 3.29Å; K697-K701 PolarHBondContact O-N 3.37Å |
| 698 | E | 68.2 | Low | 69.2 | Low | 93 Ų | 93 | 98.3 Ų | 98.3 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -83 | -25.1 | 175.6 | -165.3 | 57.7 | -151.7 | 0 | 0 | 112.5 | K694 L695 Q696 R702 | K694-E698 WeakPolarHBondContact O-CB 3.4Å; K694-E698 PolarHBondContact O-N 2.82Å; L695-E698 PolarHBondContact O-N 3.47Å; Q696-E698 VanDerWaalsContact C-N 3.28Å; Q696-E698 PolarHBondContact O-N 2.91Å; E698-R702 PolarHBondContact O-N 3.4Å; E698-R702 PolarHBondContact O-NE 2.77Å; E698-R702 PolarHBondContact O-NH2 2.74Å |
| 699 | I | 72.8 | Confident | 69.2 | Low | 76 Ų | 76 | 97.1 Ų | 97.1 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.3 | -51.1 | 165.8 | -69.8 | 162.9 | 0 | 0 | 0 | 109.1 | L695 Q696 K701 R702 C703 | L695-I699 VanDerWaalsContact O-CG1 3.29Å; L695-I699 WeakPolarHBondContact O-CG1 3.37Å; L695-I699 PolarHBondContact O-N 2.6Å; Q696-I699 CarbonylContact O-C 2.89Å; Q696-I699 PolarHBondContact O-N 2.85Å; I699-K701 PolarHBondContact O-N 3.33Å; I699-R702 CarbonylContact O-C 3.05Å; I699-R702 WeakPolarHBondContact O-CA 3.32Å; I699-R702 WeakPolarHBondContact O-CB 3.31Å; I699-R702 PolarHBondContact O-N 3.42Å; I699-C703 PolarHBondContact O-N 2.7Å; I699-C703 PolarHBondContact O-SG 3.01Å; I699-C703 VanDerWaalsContact O-SG 3.36Å |
| 700 | D | 68.1 | Low | 69.2 | Low | 64 Ų | 64 | 99.9 Ų | 99.9 | 34% | 0.342 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65 | -34.4 | -179.5 | -73.5 | -31.8 | 0 | 0 | 0 | 112.7 | Q696 C703 Q704 | Q696-D700 PolarHBondContact NE2-OD1 3.3Å; Q696-D700 VanDerWaalsContact NE2-OD1 3.14Å; Q696-D700 PolarHBondContact NE2-OD2 2.83Å; Q696-D700 WeakPolarHBondContact O-CB 3.22Å; Q696-D700 PolarHBondContact O-N 3.49Å; D700-C703 PolarHBondContact O-N 2.74Å; D700-Q704 VanDerWaalsContact O-CB 3.26Å; D700-Q704 WeakPolarHBondContact O-CB 3.44Å; D700-Q704 VanDerWaalsContact O-CG 3.26Å; D700-Q704 WeakPolarHBondContact O-CG 3.43Å; D700-Q704 PolarHBondContact O-N 3.36Å |
| 701 | K | 73.3 | Confident | 69.2 | Low | 131 Ų | 131 | 99.4 Ų | 99.4 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -40.9 | 168.4 | -84.7 | 175.9 | 179.3 | 179.1 | 0 | 112.2 | K697 I699 H705 | K697-K701 VanDerWaalsContact O-CB 3.25Å; K697-K701 WeakPolarHBondContact O-CB 3.33Å; K697-K701 WeakPolarHBondContact O-CG 3.29Å; K697-K701 PolarHBondContact O-N 3.37Å; I699-K701 PolarHBondContact O-N 3.33Å; K701-H705 WeakPolarHBondContact O-CB 3.21Å; K701-H705 PolarHBondContact O-N 2.86Å |
| 702 | R | 66.4 | Low | 69 | Low | 146 Ų | 146 | 96.6 Ų | 96.6 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -68.3 | -39.1 | 175.2 | -81.4 | 176.6 | -73.4 | -174.1 | -1.4 | 111.5 | E698 I699 H705 K706 | E698-R702 PolarHBondContact O-N 3.4Å; E698-R702 PolarHBondContact O-NE 2.77Å; E698-R702 PolarHBondContact O-NH2 2.74Å; I699-R702 CarbonylContact O-C 3.05Å; I699-R702 WeakPolarHBondContact O-CA 3.32Å; I699-R702 WeakPolarHBondContact O-CB 3.31Å; I699-R702 PolarHBondContact O-N 3.42Å; R702-H705 PolarHBondContact O-N 3.38Å; R702-K706 WeakPolarHBondContact O-CB 3.25Å; R702-K706 PolarHBondContact O-N 2.84Å |
| 703 | C | 60.7 | Low | 69.7 | Low | 59 Ų | 59 | 98.7 Ų | 98.7 | 40% | 0.399 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 172.4 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | I699 D700 H705 K706 I707 | I699-C703 PolarHBondContact O-N 2.7Å; I699-C703 PolarHBondContact O-SG 3.01Å; I699-C703 VanDerWaalsContact O-SG 3.36Å; D700-C703 PolarHBondContact O-N 2.74Å; C703-H705 VanDerWaalsContact C-N 3.35Å; C703-H705 PolarHBondContact O-N 3.43Å; C703-K706 PolarHBondContact O-N 2.84Å; C703-I707 WeakPolarHBondContact O-CB 3.4Å; C703-I707 WeakPolarHBondContact O-CD1 3.24Å; C703-I707 WeakPolarHBondContact O-CG1 3.18Å; C703-I707 PolarHBondContact O-N 2.85Å |
| 704 | Q | 61.2 | Low | 69 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -37 | 176 | -75.3 | 179.1 | 1.9 | 0 | 0 | 112.3 | D700 I707 A708 | D700-Q704 VanDerWaalsContact O-CB 3.26Å; D700-Q704 WeakPolarHBondContact O-CB 3.44Å; D700-Q704 VanDerWaalsContact O-CG 3.26Å; D700-Q704 WeakPolarHBondContact O-CG 3.43Å; D700-Q704 PolarHBondContact O-N 3.36Å; Q704-I707 PolarHBondContact O-N 2.74Å; Q704-A708 VanDerWaalsContact O-CB 3.25Å; Q704-A708 WeakPolarHBondContact O-CB 3.25Å; Q704-A708 PolarHBondContact O-N 2.93Å |
| 705 | H | 70.1 | Confident | 68.9 | Low | 127 Ų | 127 | 100.2 Ų | 100.2 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -42.9 | 173.3 | -165.9 | 59.6 | 0 | 0 | 0 | 111 | K701 R702 C703 I707 A708 E709 | K701-H705 WeakPolarHBondContact O-CB 3.21Å; K701-H705 PolarHBondContact O-N 2.86Å; R702-H705 PolarHBondContact O-N 3.38Å; C703-H705 VanDerWaalsContact C-N 3.35Å; C703-H705 PolarHBondContact O-N 3.43Å; H705-I707 VanDerWaalsContact C-N 3.35Å; H705-I707 PolarHBondContact O-N 3.22Å; H705-A708 PolarHBondContact O-N 2.87Å; H705-E709 WeakPolarHBondContact O-CG 3.45Å; H705-E709 PolarHBondContact O-N 3.46Å |
| 706 | K | 76.4 | Confident | 68.9 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 174.4 | -151.5 | 76.2 | -157.1 | 148.9 | 0 | 112.5 | R702 C703 E709 M710 | R702-K706 WeakPolarHBondContact O-CB 3.25Å; R702-K706 PolarHBondContact O-N 2.84Å; C703-K706 PolarHBondContact O-N 2.84Å; K706-E709 WeakPolarHBondContact CE-OE2 3.44Å; K706-E709 IonicContact NZ-OE2 3.23Å; K706-E709 PolarHBondContact NZ-OE2 2.76Å; K706-M710 WeakPolarHBondContact O-CB 3.22Å; K706-M710 WeakPolarHBondContact O-CG 3.34Å; K706-M710 PolarHBondContact O-N 3.45Å |
| 707 | I | 70.6 | Confident | 69.1 | Low | 102 Ų | 102 | 101.8 Ų | 101.8 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -40 | 174.5 | -69.9 | 162.8 | 0 | 0 | 0 | 110.1 | C703 Q704 H705 M710 V711 | C703-I707 WeakPolarHBondContact O-CB 3.4Å; C703-I707 WeakPolarHBondContact O-CD1 3.24Å; C703-I707 WeakPolarHBondContact O-CG1 3.18Å; C703-I707 PolarHBondContact O-N 2.85Å; Q704-I707 PolarHBondContact O-N 2.74Å; H705-I707 VanDerWaalsContact C-N 3.35Å; H705-I707 PolarHBondContact O-N 3.22Å; I707-M710 CarbonylContact O-C 3.42Å; I707-M710 PolarHBondContact O-N 2.86Å; I707-V711 HydrophobicContact CG2-CG2 4.17Å; I707-V711 WeakPolarHBondContact O-CB 3.26Å; I707-V711 VanDerWaalsContact O-CG2 3.23Å; I707-V711 WeakPolarHBondContact O-CG2 3.38Å; I707-V711 PolarHBondContact O-N 2.85Å |
| 708 | A | 70.1 | Confident | 68.8 | Low | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q704 H705 V711 A712 | Q704-A708 VanDerWaalsContact O-CB 3.25Å; Q704-A708 WeakPolarHBondContact O-CB 3.25Å; Q704-A708 PolarHBondContact O-N 2.93Å; H705-A708 PolarHBondContact O-N 2.87Å; A708-V711 PolarHBondContact O-N 3.44Å; A708-A712 VanDerWaalsContact O-CB 3.3Å; A708-A712 WeakPolarHBondContact O-CB 3.2Å; A708-A712 PolarHBondContact O-N 3.33Å |
| 709 | E | 69.7 | Low | 68.9 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 169.2 | -73.4 | -176.6 | 137.8 | 0 | 0 | 111.1 | H705 K706 A712 L713 | H705-E709 WeakPolarHBondContact O-CG 3.45Å; H705-E709 PolarHBondContact O-N 3.46Å; K706-E709 WeakPolarHBondContact CE-OE2 3.44Å; K706-E709 IonicContact NZ-OE2 3.23Å; K706-E709 PolarHBondContact NZ-OE2 2.76Å; E709-A712 PolarHBondContact O-N 3.25Å; E709-L713 WeakPolarHBondContact O-CB 3.26Å; E709-L713 PolarHBondContact O-N 3.34Å |
| 710 | M | 68.1 | Low | 68.7 | Low | 108 Ų | 108 | 104.8 Ų | 104.8 | 53% | 0.532 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 177.8 | -77.7 | -173.2 | 66.4 | 0 | 0 | 112.4 | K706 I707 L713 M714 | K706-M710 WeakPolarHBondContact O-CB 3.22Å; K706-M710 WeakPolarHBondContact O-CG 3.34Å; K706-M710 PolarHBondContact O-N 3.45Å; I707-M710 CarbonylContact O-C 3.42Å; I707-M710 PolarHBondContact O-N 2.86Å; M710-L713 PolarHBondContact O-N 2.85Å; M710-M714 WeakPolarHBondContact O-CB 3.36Å; M710-M714 WeakPolarHBondContact O-CG 3.25Å; M710-M714 PolarHBondContact O-N 2.81Å |
| 711 | V | 69.5 | Low | 68.2 | Low | 72 Ų | 72 | 108.8 Ų | 108.8 | 44% | 0.436 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -48.7 | 176.5 | 167 | 0 | 0 | 0 | 0 | 110 | I707 A708 L713 M714 E715 | I707-V711 HydrophobicContact CG2-CG2 4.17Å; I707-V711 WeakPolarHBondContact O-CB 3.26Å; I707-V711 VanDerWaalsContact O-CG2 3.23Å; I707-V711 WeakPolarHBondContact O-CG2 3.38Å; I707-V711 PolarHBondContact O-N 2.85Å; A708-V711 PolarHBondContact O-N 3.44Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 2.86Å; V711-M714 PolarHBondContact O-N 2.77Å; V711-E715 WeakPolarHBondContact O-CB 3.37Å; V711-E715 PolarHBondContact O-N 3.2Å |
| 712 | A | 67.6 | Low | 67.9 | Low | 62 Ų | 62 | 105.4 Ų | 105.4 | 51% | 0.512 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A708 E709 K716 | A708-A712 VanDerWaalsContact O-CB 3.3Å; A708-A712 WeakPolarHBondContact O-CB 3.2Å; A708-A712 PolarHBondContact O-N 3.33Å; E709-A712 PolarHBondContact O-N 3.25Å; A712-K716 VanDerWaalsContact O-CB 3.28Å; A712-K716 WeakPolarHBondContact O-CB 3.45Å; A712-K716 PolarHBondContact O-N 3.21Å; A712-K716 VanDerWaalsContact O-N 3.13Å |
| 713 | L | 80.1 | Confident | 68.1 | Low | 99 Ų | 99 | 104.4 Ų | 104.4 | 52% | 0.518 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.6 | -45.8 | 174.7 | -174.9 | 64.4 | 0 | 0 | 0 | 112.3 | E709 M710 V711 E715 K716 H717 | E709-L713 WeakPolarHBondContact O-CB 3.26Å; E709-L713 PolarHBondContact O-N 3.34Å; M710-L713 PolarHBondContact O-N 2.85Å; V711-L713 VanDerWaalsContact C-N 3.27Å; V711-L713 PolarHBondContact O-N 2.86Å; L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.27Å; L713-K716 PolarHBondContact O-N 3.42Å; L713-H717 PolarHBondContact O-CD2 3.49Å; L713-H717 PolarHBondContact O-N 2.86Å |
| 714 | M | 56.2 | Low | 68.2 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 61% | 0.606 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -35.3 | 177.4 | -78 | 177.8 | 61.2 | 0 | 0 | 111.9 | M710 V711 H717 K718 | M710-M714 WeakPolarHBondContact O-CB 3.36Å; M710-M714 WeakPolarHBondContact O-CG 3.25Å; M710-M714 PolarHBondContact O-N 2.81Å; V711-M714 PolarHBondContact O-N 2.77Å; M714-H717 CarbonylContact O-C 3.03Å; M714-H717 PolarHBondContact O-N 2.99Å; M714-K718 WeakPolarHBondContact O-CA 3.23Å; M714-K718 WeakPolarHBondContact O-CB 3.43Å; M714-K718 PolarHBondContact O-N 3.39Å |
| 715 | E | 69.2 | Low | 68.4 | Low | 108 Ų | 108 | 103.6 Ų | 103.6 | 51% | 0.505 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.8 | -35.8 | 178.2 | -169.7 | 157.2 | -119.5 | 0 | 0 | 110.9 | V711 L713 K718 H719 | V711-E715 WeakPolarHBondContact O-CB 3.37Å; V711-E715 PolarHBondContact O-N 3.2Å; L713-E715 VanDerWaalsContact C-N 3.33Å; L713-E715 PolarHBondContact O-N 3.27Å; E715-K718 PolarHBondContact O-N 2.88Å; E715-H719 PolarHBondContact O-N 3.43Å; E715-H719 PolarHBondContact O-ND1 2.75Å |
| 716 | K | 71.1 | Confident | 68.1 | Low | 150 Ų | 150 | 104.4 Ų | 104.4 | 65% | 0.652 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -37.3 | 168.8 | -171.3 | 176.4 | -175.7 | 179.2 | 0 | 112.5 | A712 L713 | A712-K716 VanDerWaalsContact O-CB 3.28Å; A712-K716 WeakPolarHBondContact O-CB 3.45Å; A712-K716 PolarHBondContact O-N 3.21Å; A712-K716 VanDerWaalsContact O-N 3.13Å; L713-K716 PolarHBondContact O-N 3.42Å |
| 717 | H | 71.1 | Confident | 67.2 | Low | 87 Ų | 87 | 103.7 Ų | 103.7 | 40% | 0.403 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.8 | -35 | 172.4 | -75 | -151.6 | 0 | 0 | 0 | 111.8 | L713 M714 Q720 Y721 | L713-H717 PolarHBondContact O-CD2 3.49Å; L713-H717 PolarHBondContact O-N 2.86Å; M714-H717 CarbonylContact O-C 3.03Å; M714-H717 PolarHBondContact O-N 2.99Å; H717-Q720 WeakPolarHBondContact O-CA 3.28Å; H717-Q720 WeakPolarHBondContact O-CB 3.3Å; H717-Q720 PolarHBondContact O-N 2.82Å; H717-Y721 HydrophobicContact CB-CE2 4.35Å; H717-Y721 WeakPolarHBondContact O-CD2 3.09Å; H717-Y721 PolarHBondContact O-N 2.69Å |
| 718 | K | 65.4 | Low | 66.7 | Low | 108 Ų | 108 | 106.4 Ų | 106.4 | 47% | 0.47 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -40.2 | 178.1 | -166.6 | -168.5 | 179.1 | -60.3 | 0 | 111 | M714 E715 Q720 Y721 D722 | M714-K718 WeakPolarHBondContact O-CA 3.23Å; M714-K718 WeakPolarHBondContact O-CB 3.43Å; M714-K718 PolarHBondContact O-N 3.39Å; E715-K718 PolarHBondContact O-N 2.88Å; K718-Q720 PolarHBondContact O-N 3.36Å; K718-Q720 VanDerWaalsContact O-N 3.17Å; K718-Y721 CarbonylContact O-C 3.58Å; K718-Y721 PolarHBondContact O-N 3.24Å; K718-D722 IonicContact NZ-OD1 2.75Å; K718-D722 PolarHBondContact NZ-OD1 3.21Å; K718-D722 IonicContact NZ-OD2 3.38Å; K718-D722 PolarHBondContact NZ-OD2 3.47Å; K718-D722 WeakPolarHBondContact O-CB 3.33Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 3.14Å |
| 719 | H | 68.6 | Low | 65.6 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.7 | -22 | 171.5 | -77.8 | 81.7 | 0 | 0 | 0 | 113.3 | E715 K723 | E715-H719 PolarHBondContact O-N 3.43Å; E715-H719 PolarHBondContact O-ND1 2.75Å; H719-K723 WeakPolarHBondContact O-CB 3.21Å |
| 720 | Q | 69.1 | Low | 65 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 58% | 0.575 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.5 | -39.3 | 169.7 | -64.2 | -178.3 | -29.6 | 0 | 0 | 111.8 | H717 K718 I724 | H717-Q720 WeakPolarHBondContact O-CA 3.28Å; H717-Q720 WeakPolarHBondContact O-CB 3.3Å; H717-Q720 PolarHBondContact O-N 2.82Å; K718-Q720 PolarHBondContact O-N 3.36Å; K718-Q720 VanDerWaalsContact O-N 3.17Å; Q720-I724 WeakPolarHBondContact O-CD1 3.22Å; Q720-I724 VanDerWaalsContact O-CG1 3.3Å; Q720-I724 WeakPolarHBondContact O-CG1 3.45Å; Q720-I724 PolarHBondContact O-N 2.82Å |
| 721 | Y | 56.9 | Low | 64.4 | Low | 147 Ų | 147 | 108.8 Ų | 108.8 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.2 | -42.4 | 175.1 | -72.1 | -60.5 | 0 | 0 | 0 | 113.4 | H717 K718 K723 I724 I725 | H717-Y721 HydrophobicContact CB-CE2 4.35Å; H717-Y721 WeakPolarHBondContact O-CD2 3.09Å; H717-Y721 PolarHBondContact O-N 2.69Å; K718-Y721 CarbonylContact O-C 3.58Å; K718-Y721 PolarHBondContact O-N 3.24Å; Y721-K723 VanDerWaalsContact C-N 3.26Å; Y721-K723 PolarHBondContact O-N 2.87Å; Y721-I724 CarbonylContact O-C 2.84Å; Y721-I724 PolarHBondContact O-N 3.46Å; Y721-I724 VanDerWaalsContact O-N 3.11Å; Y721-I725 WeakPolarHBondContact O-CB 3.19Å; Y721-I725 VanDerWaalsContact O-CG1 3.22Å; Y721-I725 WeakPolarHBondContact O-CG1 3.17Å; Y721-I725 PolarHBondContact O-N 2.74Å |
| 722 | D | 67.3 | Low | 63.6 | Low | 61 Ų | 61 | 110 Ų | 110 | 33% | 0.326 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59 | -40.5 | 175.7 | -67.8 | -21 | 0 | 0 | 0 | 110.1 | K718 I725 E726 | K718-D722 IonicContact NZ-OD1 2.75Å; K718-D722 PolarHBondContact NZ-OD1 3.21Å; K718-D722 IonicContact NZ-OD2 3.38Å; K718-D722 PolarHBondContact NZ-OD2 3.47Å; K718-D722 WeakPolarHBondContact O-CB 3.33Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 3.14Å; D722-I725 PolarHBondContact O-N 2.79Å; D722-E726 WeakPolarHBondContact O-CB 3.33Å; D722-E726 PolarHBondContact O-N 2.84Å |
| 723 | K | 70.9 | Confident | 62.7 | Low | 125 Ų | 125 | 108.8 Ų | 108.8 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 172.9 | -175.2 | 176.8 | 179 | -178.6 | 0 | 112.8 | H719 Y721 I725 E726 E727 | H719-K723 WeakPolarHBondContact O-CB 3.21Å; Y721-K723 VanDerWaalsContact C-N 3.26Å; Y721-K723 PolarHBondContact O-N 2.87Å; K723-I725 VanDerWaalsContact C-N 3.28Å; K723-I725 PolarHBondContact O-N 3.47Å; K723-E726 PolarHBondContact O-N 3.44Å; K723-E727 WeakPolarHBondContact O-CG 3.36Å; K723-E727 PolarHBondContact O-N 2.79Å |
| 724 | I | 62.3 | Low | 61.4 | Low | 87 Ų | 87 | 110.2 Ų | 110.2 | 45% | 0.446 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67 | -31.1 | 175.4 | -68.7 | 164.1 | 0 | 0 | 0 | 111.2 | Q720 Y721 R728 | Q720-I724 WeakPolarHBondContact O-CD1 3.22Å; Q720-I724 VanDerWaalsContact O-CG1 3.3Å; Q720-I724 WeakPolarHBondContact O-CG1 3.45Å; Q720-I724 PolarHBondContact O-N 2.82Å; Y721-I724 CarbonylContact O-C 2.84Å; Y721-I724 PolarHBondContact O-N 3.46Å; Y721-I724 VanDerWaalsContact O-N 3.11Å; I724-R728 WeakPolarHBondContact O-CB 3.48Å; I724-R728 VanDerWaalsContact O-CG 3.3Å; I724-R728 WeakPolarHBondContact O-CG 3.43Å; I724-R728 PolarHBondContact O-N 3.49Å |
| 725 | I | 65.4 | Low | 61 | Low | 88 Ų | 88 | 113.2 Ų | 113.2 | 45% | 0.451 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -74.3 | -39.9 | 176.8 | -71 | 164.3 | 0 | 0 | 0 | 110.5 | Y721 D722 K723 E727 R728 D729 | Y721-I725 WeakPolarHBondContact O-CB 3.19Å; Y721-I725 VanDerWaalsContact O-CG1 3.22Å; Y721-I725 WeakPolarHBondContact O-CG1 3.17Å; Y721-I725 PolarHBondContact O-N 2.74Å; D722-I725 PolarHBondContact O-N 2.79Å; K723-I725 VanDerWaalsContact C-N 3.28Å; K723-I725 PolarHBondContact O-N 3.47Å; I725-E727 VanDerWaalsContact C-N 3.31Å; I725-E727 PolarHBondContact O-N 2.94Å; I725-R728 CarbonylContact O-C 3.25Å; I725-R728 WeakPolarHBondContact O-CA 3.39Å; I725-R728 PolarHBondContact O-N 2.87Å; I725-D729 PolarHBondContact O-N 2.97Å |
| 726 | E | 65.1 | Low | 60 | Low | 144 Ų | 144 | 115.8 Ų | 115.8 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.7 | -37.5 | 173.1 | -167.4 | 168.5 | -138.8 | 0 | 0 | 111.7 | D722 K723 S730 | D722-E726 WeakPolarHBondContact O-CB 3.33Å; D722-E726 PolarHBondContact O-N 2.84Å; K723-E726 PolarHBondContact O-N 3.44Å; E726-S730 PolarHBondContact O-N 3.38Å; E726-S730 PolarHBondContact O-OG 2.81Å |
| 727 | E | 57.8 | Low | 59.3 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -37 | 168.3 | -71.7 | 170.9 | -173.2 | 0 | 0 | 112.2 | K723 I725 S730 E731 | K723-E727 WeakPolarHBondContact O-CG 3.36Å; K723-E727 PolarHBondContact O-N 2.79Å; I725-E727 VanDerWaalsContact C-N 3.31Å; I725-E727 PolarHBondContact O-N 2.94Å; E727-S730 WeakPolarHBondContact O-CB 3.49Å; E727-E731 PolarHBondContact O-N 3.3Å |
| 728 | R | 60.3 | Low | 58.2 | Low | 159 Ų | 159 | 116.1 Ų | 116.1 | 60% | 0.6 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -80.6 | -31.1 | 179.7 | -78.2 | -65.3 | -177.2 | 91.4 | -0.7 | 115.6 | I724 I725 S730 E731 L732 | I724-R728 WeakPolarHBondContact O-CB 3.48Å; I724-R728 VanDerWaalsContact O-CG 3.3Å; I724-R728 WeakPolarHBondContact O-CG 3.43Å; I724-R728 PolarHBondContact O-N 3.49Å; I725-R728 CarbonylContact O-C 3.25Å; I725-R728 WeakPolarHBondContact O-CA 3.39Å; I725-R728 PolarHBondContact O-N 2.87Å; R728-S730 PolarHBondContact O-N 3.47Å; R728-E731 WeakPolarHBondContact CD-OE2 3.47Å; R728-E731 IonicContact NE-OE2 3.13Å; R728-E731 PolarHBondContact NE-OE2 2.98Å; R728-E731 PolarHBondContact O-N 3.37Å; R728-L732 WeakPolarHBondContact O-CB 3.3Å; R728-L732 PolarHBondContact O-N 3.45Å |
| 729 | D | 45.5 | Very low | 57.1 | Low | 104 Ų | 104 | 118 Ų | 118 | 56% | 0.556 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.8 | -31.2 | 171 | -84.5 | -37.4 | 0 | 0 | 0 | 110.5 | I725 L732 G733 | I725-D729 PolarHBondContact O-N 2.97Å; D729-L732 PolarHBondContact O-N 3.13Å; D729-G733 PolarHBondContact O-N 3.36Å |
| 730 | S | 57.5 | Low | 56 | Low | 87 Ų | 87 | 117.5 Ų | 117.5 | 61% | 0.608 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -38.5 | 170 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | E726 E727 R728 | E726-S730 PolarHBondContact O-N 3.38Å; E726-S730 PolarHBondContact O-OG 2.81Å; E727-S730 WeakPolarHBondContact O-CB 3.49Å; R728-S730 PolarHBondContact O-N 3.47Å |
| 731 | E | 56.6 | Low | 55 | Low | 113 Ų | 113 | 118.4 Ų | 118.4 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74 | -41.8 | 172.5 | -67.8 | -167.3 | 132.7 | 0 | 0 | 112.9 | E727 R728 G733 L734 | E727-E731 PolarHBondContact O-N 3.3Å; R728-E731 WeakPolarHBondContact CD-OE2 3.47Å; R728-E731 IonicContact NE-OE2 3.13Å; R728-E731 PolarHBondContact NE-OE2 2.98Å; R728-E731 PolarHBondContact O-N 3.37Å; E731-G733 VanDerWaalsContact C-N 3.26Å; E731-G733 PolarHBondContact O-N 3.48Å; E731-L734 WeakPolarHBondContact O-CB 3.22Å; E731-L734 PolarHBondContact O-N 3.28Å |
| 732 | L | 52.3 | Low | 54.3 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.9 | -26 | -177.9 | -149.7 | 87.8 | 0 | 0 | 0 | 112.3 | R728 D729 L734 Y735 K736 | R728-L732 WeakPolarHBondContact O-CB 3.3Å; R728-L732 PolarHBondContact O-N 3.45Å; D729-L732 PolarHBondContact O-N 3.13Å; L732-L734 PolarHBondContact O-N 3.23Å; L732-Y735 PolarHBondContact O-N 2.73Å; L732-Y735 VanDerWaalsContact O-N 3.11Å; L732-K736 PolarHBondContact O-N 2.69Å |
| 733 | G | 48.9 | Very low | 53.3 | Low | 36 Ų | 36 | 118.4 Ų | 118.4 | 37% | 0.371 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58 | -31 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D729 E731 S737 | D729-G733 PolarHBondContact O-N 3.36Å; E731-G733 VanDerWaalsContact C-N 3.26Å; E731-G733 PolarHBondContact O-N 3.48Å; G733-S737 PolarHBondContact O-OG 2.77Å |
| 734 | L | 52.5 | Low | 52.2 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -75.1 | -35.8 | 173.1 | -70.1 | 165.7 | 0 | 0 | 0 | 112 | E731 L732 S737 | E731-L734 WeakPolarHBondContact O-CB 3.22Å; E731-L734 PolarHBondContact O-N 3.28Å; L732-L734 PolarHBondContact O-N 3.23Å; L734-S737 PolarHBondContact O-N 2.73Å |
| 735 | Y | 46.4 | Very low | 51.6 | Low | 186 Ų | 186 | 111.6 Ų | 111.6 | 73% | 0.729 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -41 | 176 | -96.6 | -87.2 | 0 | 0 | 0 | 112.9 | L732 S737 K738 | L732-Y735 PolarHBondContact O-N 2.73Å; L732-Y735 VanDerWaalsContact O-N 3.11Å; Y735-S737 PolarHBondContact O-N 3.31Å; Y735-K738 PolarHBondContact O-N 3.37Å |
| 736 | K | 48.4 | Very low | 50.2 | Low | 162 Ų | 162 | 116 Ų | 116 | 70% | 0.704 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.4 | -23.6 | 171.8 | -85.8 | 179.6 | 175.8 | 168.6 | 0 | 113.7 | L732 | L732-K736 PolarHBondContact O-N 2.69Š|
| 737 | S | 56.2 | Low | 48.8 | Very low | 81 Ų | 81 | 112.2 Ų | 112.2 | 57% | 0.566 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -16.3 | -176.7 | -57.7 | 0 | 0 | 0 | 0 | 114.7 | G733 L734 Y735 | G733-S737 PolarHBondContact O-OG 2.77Å; L734-S737 PolarHBondContact O-N 2.73Å; Y735-S737 PolarHBondContact O-N 3.31Å |
| 738 | K | 50 | Low | 48.5 | Very low | 163 Ų | 163 | 110.8 Ų | 110.8 | 71% | 0.709 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -38.4 | -175.4 | -99 | -178.2 | 175.8 | 176.4 | 0 | 114.6 | Y735 Q740 E741 Q742 | Y735-K738 PolarHBondContact O-N 3.37Å; K738-Q740 VanDerWaalsContact C-N 3.32Å; K738-Q740 PolarHBondContact O-N 3.02Å; K738-E741 PolarHBondContact O-N 2.82Å; K738-E741 VanDerWaalsContact O-N 3.16Å; K738-Q742 PolarHBondContact O-N 2.65Å |
| 739 | E | 41.6 | Very low | 47.5 | Very low | 147 Ų | 147 | 108.2 Ų | 108.2 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -74 | -26.2 | -175.5 | -169.2 | 163.2 | -159 | 0 | 0 | 112.8 | E741 Q742 S743 | E739-E741 PolarHBondContact O-N 3.03Å; E739-Q742 PolarHBondContact O-N 2.7Å; E739-S743 WeakPolarHBondContact O-CB 3.39Å; E739-S743 PolarHBondContact O-N 2.92Å; E739-S743 PolarHBondContact O-OG 2.94Å |
| 740 | Q | 46 | Very low | 47.3 | Very low | 117 Ų | 117 | 106.4 Ų | 106.4 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.2 | -10 | 171.7 | -164.7 | 161.7 | -21.8 | 0 | 0 | 113.1 | K738 S744 | K738-Q740 VanDerWaalsContact C-N 3.32Å; K738-Q740 PolarHBondContact O-N 3.02Å; Q740-S744 WeakPolarHBondContact O-CB 3.43Å; Q740-S744 PolarHBondContact O-OG 3.07Å |
| 741 | E | 47.5 | Very low | 46.2 | Very low | 142 Ų | 142 | 109.9 Ų | 109.9 | 66% | 0.664 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -99.6 | -26.8 | 167.1 | -67.4 | -165.4 | 144.2 | 0 | 0 | 113.4 | K738 E739 S744 L745 | K738-E741 PolarHBondContact O-N 2.82Å; K738-E741 VanDerWaalsContact O-N 3.16Å; E739-E741 PolarHBondContact O-N 3.03Å; E741-S744 WeakPolarHBondContact CA-OG 3.3Å; E741-S744 CarbonylContact O-C 3.6Å; E741-S744 PolarHBondContact O-OG 3.17Å; E741-L745 PolarHBondContact O-N 2.72Å |
| 742 | Q | 41.7 | Very low | 45.3 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 63% | 0.626 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -83.4 | -39.6 | 177.1 | -86.8 | -74.6 | -10 | 0 | 0 | 114.3 | K738 E739 S744 L745 | K738-Q742 PolarHBondContact O-N 2.65Å; E739-Q742 PolarHBondContact O-N 2.7Å; Q742-S744 VanDerWaalsContact C-N 3.25Å; Q742-L745 WeakPolarHBondContact O-CA 3.38Å; Q742-L745 VanDerWaalsContact O-CB 3.3Å; Q742-L745 WeakPolarHBondContact O-CB 3.48Å; Q742-L745 PolarHBondContact O-N 3.07Å |
| 743 | S | 45.8 | Very low | 44.6 | Very low | 74 Ų | 74 | 111.2 Ų | 111.2 | 52% | 0.517 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -72.9 | -26.2 | 168.8 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | E739 L745 R746 | E739-S743 WeakPolarHBondContact O-CB 3.39Å; E739-S743 PolarHBondContact O-N 2.92Å; E739-S743 PolarHBondContact O-OG 2.94Å; S743-L745 PolarHBondContact O-N 3.42Å; S743-R746 WeakPolarHBondContact O-CA 3.48Å; S743-R746 WeakPolarHBondContact O-CB 3.38Å; S743-R746 PolarHBondContact O-N 3.46Å |
| 744 | S | 48.3 | Very low | 44 | Very low | 20 Ų | 20 | 118 Ų | 118 | 14% | 0.14 | 57% | 0.57 | C | S | . | * | G | 310 helix | trans | -82.4 | 32.4 | 158.1 | 97.5 | 0 | 0 | 0 | 0 | 112.6 | Q740 E741 Q742 L763 K764 E765 | Q740-S744 WeakPolarHBondContact O-CB 3.43Å; Q740-S744 PolarHBondContact O-OG 3.07Å; E741-S744 WeakPolarHBondContact CA-OG 3.3Å; E741-S744 CarbonylContact O-C 3.6Å; E741-S744 PolarHBondContact O-OG 3.17Å; Q742-S744 VanDerWaalsContact C-N 3.25Å; S744-L763 CarbonylContact O-C 3.02Å; S744-L763 VanDerWaalsContact O-C 3.25Å; S744-L763 WeakPolarHBondContact O-CA 3.12Å; S744-L763 WeakPolarHBondContact O-CG 3.17Å; S744-K764 VanDerWaalsContact CB-N 3.29Å; S744-K764 PolarHBondContact O-N 3.06Å; S744-K764 VanDerWaalsContact OG-C 3.32Å; S744-E765 PolarHBondContact OG-N 2.76Å |
| 745 | L | 50.2 | Low | 42.9 | Very low | 50 Ų | 50 | 120.2 Ų | 120.2 | 26% | 0.262 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -114.9 | 30.1 | 144.8 | -81.3 | 153.7 | 0 | 0 | 0 | 110.6 | E741 Q742 S743 L749 T762 L763 | E741-L745 PolarHBondContact O-N 2.72Å; Q742-L745 WeakPolarHBondContact O-CA 3.38Å; Q742-L745 VanDerWaalsContact O-CB 3.3Å; Q742-L745 WeakPolarHBondContact O-CB 3.48Å; Q742-L745 PolarHBondContact O-N 3.07Å; S743-L745 PolarHBondContact O-N 3.42Å; L745-L749 HydrophobicContact CD2-CB 3.45Å; L745-L749 VanDerWaalsContact CD2-CB 3.45Å; L745-L749 HydrophobicContact CD2-CD1 3.75Å; L745-L749 HydrophobicContact CD2-CD2 4.01Å; L745-L749 HydrophobicContact CD2-CG 3.92Å; L745-T762 CarbonylContact C-O 3.56Å; L745-L763 HydrophobicContact CD2-CB 4.1Å; L745-L763 HydrophobicContact CD2-CD1 3.66Å; L745-L763 HydrophobicContact CD2-CG 4.38Å; L745-L763 HydrophobicContact CG-CD1 4.3Å |
| 746 | R | 36.4 | Very low | 42.3 | Very low | 179 Ų | 179 | 113.8 Ų | 113.8 | 68% | 0.675 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -122.4 | 8.1 | 165.8 | -65.9 | -171.5 | 157.1 | 154.8 | -6.5 | 118 | S743 E750 T762 L763 | S743-R746 WeakPolarHBondContact O-CA 3.48Å; S743-R746 WeakPolarHBondContact O-CB 3.38Å; S743-R746 PolarHBondContact O-N 3.46Å; R746-E750 HydrophobicContact CG-CB 4.22Å; R746-E750 HydrophobicContact CG-CG 4.19Å; R746-E750 IonicContact CZ-OE2 2.85Å; R746-E750 IonicContact NE-OE2 2.69Å; R746-E750 PolarHBondContact NE-OE2 3.11Å; R746-E750 VanDerWaalsContact NE-OE2 3.13Å; R746-E750 IonicContact NH2-OE2 3.63Å; R746-E750 PolarHBondContact NH2-OE2 3.38Å; R746-T762 CarbonylContact C-O 3.58Å; R746-T762 VanDerWaalsContact CA-C 3.48Å; R746-T762 WeakPolarHBondContact CA-O 3.12Å; R746-T762 PolarHBondContact N-O 3.46Å; R746-T762 PolarHBondContact O-OG1 3.26Å; R746-L763 VanDerWaalsContact N-N 3.2Å |
| 747 | A | 34.8 | Very low | 41.9 | Very low | 65 Ų | 65 | 116.2 Ų | 116.2 | 54% | 0.537 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -111.9 | -17.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 127.3 | T762 L763 | A747-T762 VanDerWaalsContact CA-CB 3.41Å; A747-T762 PolarHBondContact N-O 3.18Å; A747-T762 WeakPolarHBondContact O-CB 3.14Å; A747-T762 WeakPolarHBondContact O-CG2 3.42Å; A747-L763 VanDerWaalsContact C-N 3.27Å; A747-L763 CarbonylContact C-O 3.53Å; A747-L763 VanDerWaalsContact CA-N 3.29Å; A747-L763 WeakPolarHBondContact CA-O 3.01Å; A747-L763 WeakPolarHBondContact CB-O 3.33Å |
| 748 | S | 50.9 | Low | 41.3 | Very low | 81 Ų | 81 | 118.3 Ų | 118.3 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -132.2 | -8.4 | 151.7 | -41.8 | 0 | 0 | 0 | 0 | 125.1 | T762 L763 | S748-T762 PolarHBondContact O-N 2.83Å; S748-L763 VanDerWaalsContact N-C 3.29Å; S748-L763 PolarHBondContact N-O 3.11Å |
| 749 | L | 39.5 | Very low | 40.5 | Very low | 106 Ų | 106 | 116 Ų | 116 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -97.8 | -22.9 | 158.9 | -162.1 | 137.5 | 0 | 0 | 0 | 127 | L745 A761 T762 L763 | L745-L749 HydrophobicContact CD2-CB 3.45Å; L745-L749 VanDerWaalsContact CD2-CB 3.45Å; L745-L749 HydrophobicContact CD2-CD1 3.75Å; L745-L749 HydrophobicContact CD2-CD2 4.01Å; L745-L749 HydrophobicContact CD2-CG 3.92Å; L749-A761 VanDerWaalsContact C-CB 3.4Å; L749-A761 WeakPolarHBondContact O-CA 3.35Å; L749-A761 WeakPolarHBondContact O-CB 2.82Å; L749-A761 PolarHBondContact O-N 3.23Å; L749-T762 CarbonylContact C-O 3.59Å; L749-T762 VanDerWaalsContact CA-C 3.49Å; L749-T762 PolarHBondContact N-O 3.48Å; L749-L763 HydrophobicContact CB-CB 4.14Å |
| 750 | E | 42.8 | Very low | 40.2 | Very low | 66 Ų | 66 | 112.4 Ų | 112.4 | 31% | 0.308 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -118.5 | 113.6 | 170.6 | 169 | 109.8 | -69.9 | 0 | 0 | 116.5 | R746 T760 A761 T762 | R746-E750 HydrophobicContact CG-CB 4.22Å; R746-E750 HydrophobicContact CG-CG 4.19Å; R746-E750 IonicContact CZ-OE2 2.85Å; R746-E750 IonicContact NE-OE2 2.69Å; R746-E750 PolarHBondContact NE-OE2 3.11Å; R746-E750 VanDerWaalsContact NE-OE2 3.13Å; R746-E750 IonicContact NH2-OE2 3.63Å; R746-E750 PolarHBondContact NH2-OE2 3.38Å; E750-T760 WeakPolarHBondContact OE1-CB 3.41Å; E750-T760 WeakPolarHBondContact OE1-CG2 3.42Å; E750-T760 PolarHBondContact OE1-OG1 2.86Å; E750-A761 CarbonylContact C-O 3.56Å; E750-A761 VanDerWaalsContact CA-C 3.45Å; E750-A761 CarbonylContact O-C 2.95Å; E750-T762 PolarHBondContact N-O 2.99Å; E750-T762 WeakPolarHBondContact O-CA 3Å; E750-T762 PolarHBondContact O-OG1 2.85Å |
| 751 | K | 32.9 | Very low | 40.3 | Very low | 159 Ų | 159 | 108.4 Ų | 108.4 | 69% | 0.691 | 54% | 0.544 | S | S | * | . | trans | 163.2 | -13.3 | 166.7 | -178.2 | 177.3 | 177.8 | -178 | 0 | 118.4 | K753 T760 A761 T762 | K751-K753 VanDerWaalsContact C-N 3.26Å; K751-K753 PolarHBondContact O-N 3.01Å; K751-T760 VanDerWaalsContact N-CB 3.32Å; K751-A761 VanDerWaalsContact CA-O 3.22Å; K751-A761 WeakPolarHBondContact CA-O 3.5Å; K751-A761 WeakPolarHBondContact CB-O 3.42Å; K751-A761 PolarHBondContact N-O 2.73Å; K751-T762 WeakPolarHBondContact CB-OG1 3.35Å; K751-T762 WeakPolarHBondContact CD-OG1 3.11Å | ||
| 752 | L | 38.2 | Very low | 39.9 | Very low | 111 Ų | 111 | 103.2 Ų | 103.2 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | trans | -55.5 | 43.9 | -174.7 | -144 | 156.2 | 0 | 0 | 0 | 119.5 | N759 T760 A761 | L752-N759 CarbonylContact C-O 3.55Å; L752-T760 WeakPolarHBondContact CB-O 3.3Å; L752-A761 HydrophobicContact CD1-CB 4.26Å | ||
| 753 | K | 38.6 | Very low | 39.4 | Very low | 128 Ų | 128 | 100 Ų | 100 | 56% | 0.557 | 51% | 0.509 | S | S | * | . | trans | -132.7 | 76.9 | 176.4 | -174.6 | -175.2 | -169.9 | 158.4 | 0 | 109.4 | K751 E758 N759 | K751-K753 VanDerWaalsContact C-N 3.26Å; K751-K753 PolarHBondContact O-N 3.01Å; K753-E758 VanDerWaalsContact CD-O 3.22Å; K753-E758 WeakPolarHBondContact CD-O 3.46Å; K753-E758 WeakPolarHBondContact CE-O 3.4Å; K753-E758 PolarHBondContact NZ-O 2.93Å; K753-N759 VanDerWaalsContact CB-O 3.32Å; K753-N759 WeakPolarHBondContact CB-O 3.17Å; K753-N759 PolarHBondContact N-O 3.37Å | ||
| 754 | R | 34.5 | Very low | 38.7 | Very low | 179 Ų | 179 | 103 Ų | 103 | 68% | 0.675 | 51% | 0.512 | S | S | * | . | S | Bend | cis | 49.7 | 90.2 | 17.2 | -81.5 | -131.1 | 159.2 | 118.9 | 2.4 | 115.7 | A756 | R754-A756 PolarHBondContact O-N 3.37Š|
| 755 | E | 31 | Very low | 37.8 | Very low | 175 Ų | 175 | 106.8 Ų | 106.8 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 64.7 | 9.8 | 138.1 | -63.2 | 122.5 | -124.6 | 0 | 0 | 118.6 | ||
| 756 | A | 32.2 | Very low | 37.8 | Very low | 51 Ų | 51 | 112.4 Ų | 112.4 | 42% | 0.421 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -134.5 | 164.4 | 151.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | R754 E758 | R754-A756 PolarHBondContact O-N 3.37Å; A756-E758 HydrophobicContact CB-CB 4.06Å; A756-E758 PolarHBondContact O-N 3.44Å |
| 757 | K | 40.2 | Very low | 38.4 | Very low | 213 Ų | 213 | 112.9 Ų | 112.9 | 93% | 0.926 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -74.6 | 42.3 | 165 | -68 | 179.3 | 176 | 176.3 | 0 | 111.1 | ||
| 758 | E | 43.3 | Very low | 39.2 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 58% | 0.579 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -135 | -106.7 | -165.8 | -85.2 | 159.8 | 122.4 | 0 | 0 | 119.9 | K753 A756 | K753-E758 VanDerWaalsContact CD-O 3.22Å; K753-E758 WeakPolarHBondContact CD-O 3.46Å; K753-E758 WeakPolarHBondContact CE-O 3.4Å; K753-E758 PolarHBondContact NZ-O 2.93Å; A756-E758 HydrophobicContact CB-CB 4.06Å; A756-E758 PolarHBondContact O-N 3.44Å |
| 759 | N | 34.3 | Very low | 38.8 | Very low | 116 Ų | 116 | 122 Ų | 122 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | trans | -136.9 | -164.5 | -152.5 | -64.7 | -60.2 | 0 | 0 | 0 | 120.8 | L752 K753 | L752-N759 CarbonylContact C-O 3.55Å; K753-N759 VanDerWaalsContact CB-O 3.32Å; K753-N759 WeakPolarHBondContact CB-O 3.17Å; K753-N759 PolarHBondContact N-O 3.37Å | ||
| 760 | T | 35.1 | Very low | 39.2 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 43% | 0.429 | 59% | 0.588 | S | S | . | * | trans | -122 | -167.4 | -150.8 | 60 | 0 | 0 | 0 | 0 | 122.7 | E750 K751 L752 | E750-T760 WeakPolarHBondContact OE1-CB 3.41Å; E750-T760 WeakPolarHBondContact OE1-CG2 3.42Å; E750-T760 PolarHBondContact OE1-OG1 2.86Å; K751-T760 VanDerWaalsContact N-CB 3.32Å; L752-T760 WeakPolarHBondContact CB-O 3.3Å | ||
| 761 | A | 47.4 | Very low | 38.7 | Very low | 33 Ų | 33 | 126.4 Ų | 126.4 | 27% | 0.273 | 61% | 0.605 | S | S | . | * | trans | 149 | 107.5 | -144 | 0 | 0 | 0 | 0 | 0 | 120.7 | L749 E750 K751 L752 | L749-A761 VanDerWaalsContact C-CB 3.4Å; L749-A761 WeakPolarHBondContact O-CA 3.35Å; L749-A761 WeakPolarHBondContact O-CB 2.82Å; L749-A761 PolarHBondContact O-N 3.23Å; E750-A761 CarbonylContact C-O 3.56Å; E750-A761 VanDerWaalsContact CA-C 3.45Å; E750-A761 CarbonylContact O-C 2.95Å; K751-A761 VanDerWaalsContact CA-O 3.22Å; K751-A761 WeakPolarHBondContact CA-O 3.5Å; K751-A761 WeakPolarHBondContact CB-O 3.42Å; K751-A761 PolarHBondContact N-O 2.73Å; L752-A761 HydrophobicContact CD1-CB 4.26Å | ||
| 762 | T | 39.5 | Very low | 39.1 | Very low | 34 Ų | 34 | 125.1 Ų | 125.1 | 21% | 0.209 | 60% | 0.602 | C | S | . | * | trans | 136.4 | 0 | -152.2 | 83.4 | 0 | 0 | 0 | 0 | 126.1 | L745 R746 A747 S748 L749 E750 K751 | L745-T762 CarbonylContact C-O 3.56Å; R746-T762 CarbonylContact C-O 3.58Å; R746-T762 VanDerWaalsContact CA-C 3.48Å; R746-T762 WeakPolarHBondContact CA-O 3.12Å; R746-T762 PolarHBondContact N-O 3.46Å; R746-T762 PolarHBondContact O-OG1 3.26Å; A747-T762 VanDerWaalsContact CA-CB 3.41Å; A747-T762 PolarHBondContact N-O 3.18Å; A747-T762 WeakPolarHBondContact O-CB 3.14Å; A747-T762 WeakPolarHBondContact O-CG2 3.42Å; S748-T762 PolarHBondContact O-N 2.83Å; L749-T762 CarbonylContact C-O 3.59Å; L749-T762 VanDerWaalsContact CA-C 3.49Å; L749-T762 PolarHBondContact N-O 3.48Å; E750-T762 PolarHBondContact N-O 2.99Å; E750-T762 WeakPolarHBondContact O-CA 3Å; E750-T762 PolarHBondContact O-OG1 2.85Å; K751-T762 WeakPolarHBondContact CB-OG1 3.35Å; K751-T762 WeakPolarHBondContact CD-OG1 3.11Å | ||
| 763 | L | 31.9 | Very low | 39 | Very low | 65 Ų | 65 | 124.3 Ų | 124.3 | 34% | 0.34 | 60% | 0.601 | S | S | . | * | 0 | 0 | 0 | -171.7 | 145.9 | 0 | 0 | 0 | 136.7 | S744 L745 R746 A747 S748 L749 | S744-L763 CarbonylContact O-C 3.02Å; S744-L763 VanDerWaalsContact O-C 3.25Å; S744-L763 WeakPolarHBondContact O-CA 3.12Å; S744-L763 WeakPolarHBondContact O-CG 3.17Å; L745-L763 HydrophobicContact CD2-CB 4.1Å; L745-L763 HydrophobicContact CD2-CD1 3.66Å; L745-L763 HydrophobicContact CD2-CG 4.38Å; L745-L763 HydrophobicContact CG-CD1 4.3Å; R746-L763 VanDerWaalsContact N-N 3.2Å; A747-L763 VanDerWaalsContact C-N 3.27Å; A747-L763 CarbonylContact C-O 3.53Å; A747-L763 VanDerWaalsContact CA-N 3.29Å; A747-L763 WeakPolarHBondContact CA-O 3.01Å; A747-L763 WeakPolarHBondContact CB-O 3.33Å; S748-L763 VanDerWaalsContact N-C 3.29Å; S748-L763 PolarHBondContact N-O 3.11Å; L749-L763 HydrophobicContact CB-CB 4.14Å | |||
| 764 | K | 29.8 | Very low | 38.8 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 60% | 0.596 | 61% | 0.612 | S | S | * | * | 0 | 0 | 0 | -148.4 | -145.8 | -167 | -154.7 | 0 | 129.8 | S744 | S744-K764 VanDerWaalsContact CB-N 3.29Å; S744-K764 PolarHBondContact O-N 3.06Å; S744-K764 VanDerWaalsContact OG-C 3.32Å | |||
| 765 | E | 31 | Very low | 39.3 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | 0 | 0 | 0 | -104.3 | -159.6 | 129.2 | 0 | 0 | 137.5 | S744 | S744-E765 PolarHBondContact OG-N 2.76Š| |||
| 766 | K | 49.6 | Very low | 39.8 | Very low | 169 Ų | 169 | 122.7 Ų | 122.7 | 74% | 0.735 | 61% | 0.609 | S | S | * | * | 0 | 168.9 | 0 | -105.9 | -172 | -167.1 | 87 | 0 | 133.9 | |||||
| 767 | K | 49.4 | Very low | 39.3 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 82% | 0.817 | 63% | 0.628 | S | S | * | * | trans | -162 | 162.4 | -139.1 | -174.6 | -176.4 | -164.5 | 168.5 | 0 | 121.2 | ||||
| 768 | D | 51.3 | Low | 38.5 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 85% | 0.85 | 62% | 0.622 | S | S | * | * | trans | -158.1 | 176.5 | 154.9 | -137.9 | -28.5 | 0 | 0 | 0 | 118.8 | ||||
| 769 | K | 43.5 | Very low | 38.2 | Very low | 180 Ų | 180 | 124.1 Ų | 124.1 | 78% | 0.783 | 63% | 0.628 | S | S | * | * | trans | -127.6 | -160.2 | -177.5 | -85.7 | -152.2 | 169.2 | -165.8 | 0 | 114.5 | ||||
| 770 | K | 46 | Very low | 37.7 | Very low | 154 Ų | 154 | 127.2 Ų | 127.2 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | cis | -164.6 | 156.9 | 25.5 | 175.2 | -165.1 | 168.5 | -177.7 | 0 | 108.8 | ||||
| 771 | T | 33.2 | Very low | 37.9 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | cis | 102.3 | 151.7 | 23.4 | -37.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 772 | Q | 41.7 | Very low | 37.3 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 62% | 0.617 | 68% | 0.675 | S | S | * | * | trans | 100.2 | 152.9 | 169.4 | -67.8 | -164.7 | -118.6 | 0 | 0 | 116.5 | ||||
| 773 | T | 35.1 | Very low | 36.8 | Very low | 93 Ų | 93 | 147.1 Ų | 147.1 | 57% | 0.571 | 71% | 0.706 | S | S | * | * | cis | -171 | 167.4 | -18.8 | 29.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 774 | F | 34.2 | Very low | 37.6 | Very low | 176 Ų | 176 | 153 Ų | 153 | 77% | 0.772 | 73% | 0.729 | S | S | * | * | cis | -165.5 | 172.8 | -1.2 | -115.6 | -31.3 | 0 | 0 | 0 | 111.3 | ||||
| 775 | L | 45.2 | Very low | 38.3 | Very low | 137 Ų | 137 | 154 Ų | 154 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 43.7 | 137.4 | 155.7 | -83.1 | 99.5 | 0 | 0 | 0 | 122.8 | ||||
| 776 | L | 41 | Very low | 39.2 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | cis | -165.5 | 127.3 | -22.1 | -158.6 | 68.9 | 0 | 0 | 0 | 112.5 | ||||
| 777 | E | 21.6 | Very low | 39.1 | Very low | 177 Ų | 177 | 153.6 Ų | 153.6 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | 52.3 | -175.7 | 156.2 | -71.1 | -172.1 | 127.7 | 0 | 0 | 122.7 | ||||
| 778 | T | 24.7 | Very low | 39.1 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -123.8 | -153.4 | -162.6 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 779 | P | 35.8 | Very low | 38.7 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | -123.3 | 174.8 | -61.5 | 31.2 | -13.2 | 0 | 0 | 0 | 115.1 | |||||
| 780 | E | 24.3 | Very low | 38.5 | Very low | 181 Ų | 181 | 149.6 Ų | 149.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -129.6 | 155.6 | 161.9 | -77.2 | -169.2 | 147 | 0 | 0 | 109.6 | ||||
| 781 | I | 39.4 | Very low | 39.4 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | 89.6 | 103.4 | 31.9 | -59.7 | 176.7 | 0 | 0 | 0 | 114.8 | ||||
| 782 | Y | 35.6 | Very low | 40.3 | Very low | 187 Ų | 187 | 147 Ų | 147 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | trans | 34.6 | 128 | 135 | -117.2 | -77.9 | 0 | 0 | 0 | 119 | ||||
| 783 | W | 28.8 | Very low | 40.6 | Very low | 228 Ų | 228 | 148.7 Ų | 148.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | -163.9 | -173.8 | 67.5 | -83.4 | 82.1 | 0 | 0 | 0 | 112.2 | |||||
| 784 | K | 47.5 | Very low | 40.8 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -121.4 | 145.3 | -176.7 | -65.2 | 179.3 | 174.1 | 179.9 | 0 | 114.6 | ||||
| 785 | L | 45.1 | Very low | 41.2 | Very low | 157 Ų | 157 | 148.1 Ų | 148.1 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 158.1 | 140.2 | 136.6 | -105.1 | 67 | 0 | 0 | 0 | 115 | ||||
| 786 | D | 49.3 | Very low | 41.2 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | 36.2 | 141.1 | 153.4 | -57.8 | -5.8 | 0 | 0 | 0 | 128.8 | ||||
| 787 | S | 49 | Very low | 40.9 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 101.6 | 125.4 | 143.9 | -62.4 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 788 | K | 49.8 | Very low | 41.5 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | 59.9 | 138.6 | 144.2 | -85.8 | -177.6 | 176 | 176.9 | 0 | 127.8 | ||||
| 789 | A | 41.1 | Very low | 41.6 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 98.7 | 107.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 129.2 | ||||
| 790 | V | 40.3 | Very low | 41.3 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 86.5 | 0 | 127.7 | -134.2 | 0 | 0 | 0 | 0 | 127.3 | |||||
| 791 | P | 64.9 | Low | 41.5 | Very low | 109 Ų | 109 | 145.3 Ų | 145.3 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | 0 | -172.3 | 0 | 45.7 | -24.7 | 0 | 0 | 0 | 124.2 | |||||
| 792 | S | 51.8 | Low | 40.9 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 108.7 | 143.3 | 139.9 | -79.8 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 793 | Q | 47.4 | Very low | 40.5 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 67.9 | 163.5 | 139.3 | -70.9 | -169 | 41.6 | 0 | 0 | 124.7 | ||||
| 794 | T | 40.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | cis | -166.7 | 161.1 | -9.5 | 19.5 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 795 | V | 41.8 | Very low | 39.4 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 77.9 | 142.8 | 143.3 | 164.5 | 0 | 0 | 0 | 0 | 126.7 | ||||
| 796 | S | 45.1 | Very low | 38.8 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -169 | 163.6 | 165.2 | 66.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 797 | R | 34.3 | Very low | 38 | Very low | 206 Ų | 206 | 132.5 Ų | 132.5 | 78% | 0.777 | 77% | 0.765 | S | S | * | * | trans | -174 | 163.7 | 173.2 | -150 | -178 | 136.6 | 144.7 | -1.5 | 119.1 | ||||
| 798 | N | 34.8 | Very low | 37.2 | Very low | 105 Ų | 105 | 136.4 Ų | 136.4 | 56% | 0.561 | 77% | 0.767 | S | S | * | * | trans | 99 | 117.8 | 154.2 | -66.1 | -28.5 | 0 | 0 | 0 | 120.5 | ||||
| 799 | F | 27.7 | Very low | 36.1 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | 95.5 | 160.3 | 90 | -74.4 | -0.6 | 0 | 0 | 0 | 113.6 | |||||
| 800 | T | 28.5 | Very low | 35.6 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | cis | -174 | 169.8 | -9 | 27.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 801 | S | 28.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -176.3 | -164.1 | -12.5 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 802 | V | 27 | Very low | 33.5 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | trans | 79.1 | 146.5 | 160 | 151.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 803 | D | 26.5 | Very low | 32.4 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | cis | -166 | -139.2 | -23.9 | -166.1 | 51.4 | 0 | 0 | 0 | 115 | ||||
| 804 | H | 25.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 142.8 Ų | 142.8 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -95.5 | 165.5 | -161.4 | -77.2 | 57.6 | 0 | 0 | 0 | 119 | ||||
| 805 | G | 27.5 | Very low | 31.3 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | 163.8 | 105.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 806 | I | 34.2 | Very low | 30.9 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | trans | -91.1 | 141.7 | -170.3 | -55.6 | 159.4 | 0 | 0 | 0 | 115.1 | ||||
| 807 | S | 31.5 | Very low | 30.2 | Very low | 86 Ų | 86 | 147 Ų | 147 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | 148.5 | 143.6 | 119 | 89.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 808 | K | 32.5 | Very low | 29.9 | Very low | 198 Ų | 198 | 141.1 Ų | 141.1 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 63.7 | 155 | 155 | -60.6 | 162.5 | -174.5 | 171.5 | 0 | 117 | ||||
| 809 | D | 26.6 | Very low | 29.8 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | cis | -148.1 | -161.3 | 22.6 | -166.1 | 21.6 | 0 | 0 | 0 | 112.7 | ||||
| 810 | K | 30.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 143.8 Ų | 143.8 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | trans | -75.5 | 167.1 | -167.1 | -35.8 | 115.5 | -175.7 | 116.8 | 0 | 118.5 | ||||
| 811 | R | 30.4 | Very low | 29.7 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | 115.7 | 136.1 | 128.1 | -94.7 | -169.8 | -68.9 | -155.3 | -2.4 | 120.7 | |||||
| 812 | D | 30.8 | Very low | 29.6 | Very low | 119 Ų | 119 | 148.1 Ų | 148.1 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | trans | 41.4 | 138.6 | 136.1 | -46.4 | -17.2 | 0 | 0 | 0 | 124 | ||||
| 813 | Y | 28.9 | Very low | 29.7 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | 74.5 | 116.3 | 157.2 | -66.2 | -66.4 | 0 | 0 | 0 | 122.3 | ||||
| 814 | L | 36.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | trans | 59.2 | 131.4 | 132.8 | -74.1 | 164.3 | 0 | 0 | 0 | 123.5 | ||||
| 815 | W | 26.5 | Very low | 30.6 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.871 | 77% | 0.766 | S | S | * | * | trans | 87.1 | 124.1 | 144.6 | -140.6 | -25.4 | 0 | 0 | 0 | 120.5 | ||||
| 816 | T | 34.2 | Very low | 30.5 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 72.4 | 153.2 | 157.8 | 23.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 817 | S | 29.8 | Very low | 31.2 | Very low | 114 Ų | 114 | 143.1 Ų | 143.1 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | cis | -149.6 | 179.4 | 23.9 | -157.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 818 | A | 29.1 | Very low | 31 | Very low | 83 Ų | 83 | 148.5 Ų | 148.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | trans | -118.2 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 819 | K | 31.8 | Very low | 30.6 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 171.6 | 148.3 | 163.4 | -97.8 | 149.5 | -175 | -178.3 | 0 | 108.7 | ||||
| 820 | N | 27.9 | Very low | 30.6 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -165.8 | -179.2 | -11.3 | -122.6 | 18.8 | 0 | 0 | 0 | 110.5 | ||||
| 821 | T | 25.6 | Very low | 30.4 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | 81.8 | 158.7 | 168.8 | 70.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 822 | L | 26.9 | Very low | 30.5 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | trans | -148.4 | 160.6 | -148.6 | -167.9 | 66.2 | 0 | 0 | 0 | 113.1 | ||||
| 823 | S | 30.3 | Very low | 30.5 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -47.2 | 171.3 | 177.6 | -38.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 824 | T | 35.6 | Very low | 30.8 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -159.8 | 177.7 | 17.4 | -25.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 825 | P | 34.1 | Very low | 31.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | -150.1 | 177.5 | 87.9 | 37.2 | -15.9 | 0 | 0 | 0 | 117.8 | |||||
| 826 | L | 27 | Very low | 32 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | trans | -102 | -162.4 | -173.1 | -135.2 | 67.3 | 0 | 0 | 0 | 110.3 | ||||
| 827 | P | 49.2 | Very low | 32.3 | Very low | 89 Ų | 89 | 141 Ų | 141 | 58% | 0.578 | 79% | 0.786 | S | S | * | * | cis | -146.1 | -175 | -15.9 | 43.1 | -24 | 0 | 0 | 0 | 118.2 | ||||
| 828 | K | 27.1 | Very low | 33.1 | Very low | 200 Ų | 200 | 141.6 Ų | 141.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | 70.1 | 159 | 151.5 | -73.5 | 162.7 | -171.7 | 175.9 | 0 | 120.4 | ||||
| 829 | A | 24.1 | Very low | 33.1 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 60% | 0.595 | 78% | 0.784 | S | S | * | * | cis | -174.6 | 162.4 | -29.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 830 | Y | 26.3 | Very low | 33.1 | Very low | 224 Ų | 224 | 143 Ų | 143 | 88% | 0.878 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 142.5 | 169.7 | -63.2 | -79 | 0 | 0 | 0 | 118.7 | ||||
| 831 | T | 26.9 | Very low | 33.1 | Very low | 138 Ų | 138 | 142 Ų | 142 | 85% | 0.847 | 78% | 0.775 | S | S | * | * | -172.2 | -174.8 | 78.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 832 | V | 31.8 | Very low | 33.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | trans | -120.2 | 149.9 | -164.2 | -176.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 833 | K | 31.2 | Very low | 33.5 | Very low | 199 Ų | 199 | 142.9 Ų | 142.9 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 159.7 | 167 | 138.4 | -88.3 | 163.9 | -175.4 | 179.2 | 0 | 116.7 | ||||
| 834 | T | 34.4 | Very low | 33.4 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | trans | -126.6 | -159.9 | 172.2 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 835 | P | 60.8 | Low | 33.1 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | -126.6 | 173.7 | -80.9 | 40.5 | -25 | 0 | 0 | 0 | 115.6 | |||||
| 836 | T | 27.6 | Very low | 33 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | -149.9 | 161 | 176.1 | -22.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 837 | K | 40.1 | Very low | 33.1 | Very low | 193 Ų | 193 | 143 Ų | 143 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | trans | -126.4 | 178.5 | 174.8 | -55.2 | 177.2 | -176.5 | 178.9 | 0 | 111 | ||||
| 838 | P | 47.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | -146.3 | -173.9 | 76.5 | 41.6 | -24.2 | 0 | 0 | 0 | 114.3 | |||||
| 839 | K | 29.8 | Very low | 33.2 | Very low | 146 Ų | 146 | 141.3 Ų | 141.3 | 64% | 0.635 | 73% | 0.734 | S | S | * | * | cis | 112.5 | 64.9 | -11 | -162 | -105.8 | 127.8 | -150.4 | 0 | 121.7 | Q841 | K839-Q841 VanDerWaalsContact CE-OE1 3.24Š| ||
| 840 | L | 30.8 | Very low | 33.3 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 82% | 0.817 | 75% | 0.749 | S | S | * | * | trans | -146.2 | 134.5 | 157.6 | -78.8 | 165.3 | 0 | 0 | 0 | 109.4 | ||||
| 841 | Q | 28.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 54% | 0.537 | 75% | 0.746 | S | S | . | * | cis | 78.2 | 138.4 | 49 | -70.7 | -176.7 | -97.7 | 0 | 0 | 113.8 | K839 | K839-Q841 VanDerWaalsContact CE-OE1 3.24Š| ||
| 842 | Q | 31.7 | Very low | 33.4 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 66% | 0.659 | 74% | 0.74 | S | S | * | * | cis | -163.5 | 157.7 | 1 | -128.6 | 174 | -23.3 | 0 | 0 | 113.6 | ||||
| 843 | R | 28.5 | Very low | 33.4 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 71% | 0.709 | 73% | 0.731 | S | S | * | * | trans | 35 | 156.9 | 130.5 | -79.1 | -167 | 139.1 | 171.5 | -8.4 | 123.2 | ||||
| 844 | E | 29.3 | Very low | 33.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | cis | 175.2 | 173.6 | -24.9 | -131.4 | 166.8 | -129.8 | 0 | 0 | 109.8 | ||||
| 845 | N | 29.2 | Very low | 33.5 | Very low | 111 Ų | 111 | 143.9 Ų | 143.9 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | trans | 84.2 | 120.6 | 154.5 | -60.8 | -34.7 | 0 | 0 | 0 | 121.2 | ||||
| 846 | L | 30.5 | Very low | 32.2 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | 79.4 | 143.9 | 88 | -61.3 | 174.6 | 0 | 0 | 0 | 113.6 | |||||
| 847 | N | 29.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 151.8 Ų | 151.8 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | cis | -163.8 | 133 | 5.8 | -123.8 | -8.5 | 0 | 0 | 0 | 115.3 | ||||
| 848 | I | 29 | Very low | 32.6 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | trans | 53.2 | -172.8 | 148 | -7.3 | -177.3 | 0 | 0 | 0 | 120.8 | ||||
| 849 | P | 49.8 | Very low | 32 | Very low | 106 Ų | 106 | 152.3 Ų | 152.3 | 69% | 0.688 | 72% | 0.722 | S | S | * | * | -126.8 | -175.5 | -123.6 | 46 | -28 | 0 | 0 | 0 | 116.8 | |||||
| 850 | I | 26.2 | Very low | 32 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 90% | 0.903 | 72% | 0.724 | S | S | * | * | trans | -169.8 | 176 | 138.3 | -104.5 | 161.8 | 0 | 0 | 0 | 112.4 | ||||
| 851 | E | 26.6 | Very low | 32 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -98.3 | 172 | -158.7 | -173.3 | 168 | -160.3 | 0 | 0 | 116.3 | ||||
| 852 | E | 27.7 | Very low | 32.2 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | 83.5 | 116.2 | 154.3 | -121.6 | -157.3 | -124.9 | 0 | 0 | 123.9 | K854 | E852-K854 IonicContact OE2-NZ 2.64Š| ||
| 853 | S | 31.8 | Very low | 32.5 | Very low | 76 Ų | 76 | 155.2 Ų | 155.2 | 53% | 0.531 | 74% | 0.743 | S | S | . | * | 117.9 | 140.6 | 118.1 | 87.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 854 | K | 30.2 | Very low | 32.5 | Very low | 166 Ų | 166 | 151.8 Ų | 151.8 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 70.5 | 116 | 148.5 | -63.3 | 158 | -166.4 | 108.8 | 0 | 121.8 | E852 | E852-K854 IonicContact OE2-NZ 2.64Š| ||
| 855 | K | 37 | Very low | 32.8 | Very low | 196 Ų | 196 | 153 Ų | 153 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | trans | 163.1 | 153.6 | 131 | -88.9 | 151.5 | -169.1 | 168.4 | 0 | 111.9 | ||||
| 856 | K | 34.8 | Very low | 33 | Very low | 182 Ų | 182 | 153.8 Ų | 153.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | cis | -177.1 | 130.3 | -26.8 | -118.2 | -171.4 | -172.5 | -177.6 | 0 | 110.4 | ||||
| 857 | R | 39.5 | Very low | 33 | Very low | 244 Ų | 244 | 152.3 Ų | 152.3 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | 162.5 | 133.1 | 153 | -95 | 169.2 | -115.5 | -148.8 | 1 | 107.9 | ||||
| 858 | K | 35.8 | Very low | 33.3 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | 67.3 | 134.5 | 43.2 | -67.6 | -156.8 | 170.9 | -159.5 | 0 | 112.6 | ||||
| 859 | M | 35.2 | Very low | 33.5 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | cis | -154.9 | 135.2 | 13.4 | -164.2 | 175.6 | -77 | 0 | 0 | 106.3 | ||||
| 860 | A | 31.1 | Very low | 33.1 | Very low | 84 Ų | 84 | 151.9 Ų | 151.9 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | 71.9 | 127.4 | 57.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 861 | F | 30.7 | Very low | 33.5 | Very low | 198 Ų | 198 | 152 Ų | 152 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -157 | 167.2 | 154.1 | -115.6 | -76.3 | 0 | 0 | 0 | 109.5 | ||||
| 862 | E | 32.8 | Very low | 34 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -151.2 | -168.6 | -144.7 | -166.4 | 161.3 | -150.2 | 0 | 0 | 112.2 | ||||
| 863 | F | 36.1 | Very low | 34.4 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 91.6 | 140.4 | 176 | -65.2 | -75.3 | 0 | 0 | 0 | 117.3 | ||||
| 864 | D | 30.1 | Very low | 34.6 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | cis | -147.6 | 168.7 | -2.8 | -159.9 | 18.3 | 0 | 0 | 0 | 113.5 | N866 | D864-N866 PolarHBondContact OD2-ND2 3.34Š| ||
| 865 | I | 35.2 | Very low | 34.8 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | trans | -136.7 | 129.8 | 170.3 | -61.2 | 176 | 0 | 0 | 0 | 110.7 | ||||
| 866 | N | 33.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | trans | -136.2 | 133 | 162.3 | -62.4 | -90.2 | 0 | 0 | 0 | 106.6 | D864 | D864-N866 PolarHBondContact OD2-ND2 3.34Š| ||
| 867 | S | 30.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 65.6 | 133.2 | 58.9 | -75.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 868 | D | 35 | Very low | 33.9 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | cis | -165.7 | 171.8 | -7.6 | -160.7 | -5.6 | 0 | 0 | 0 | 109.6 | ||||
| 869 | S | 34.5 | Very low | 33.6 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 64.6 | 177.7 | 174.7 | 77.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 870 | S | 39.8 | Very low | 33.7 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | cis | -154.8 | -179.1 | 4.5 | -155.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 871 | E | 36 | Very low | 33.9 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | trans | -104.3 | 156.7 | 171.3 | -61.2 | 175.8 | 128.2 | 0 | 0 | 112.7 | ||||
| 872 | T | 37.4 | Very low | 33.9 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 91% | 0.908 | 76% | 0.755 | S | S | * | * | -173.6 | 154 | 129.5 | 13.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 873 | T | 35.5 | Very low | 34 | Very low | 135 Ų | 135 | 135.4 Ų | 135.4 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | trans | -110.5 | 154.1 | -179.5 | 50.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 874 | D | 35.7 | Very low | 33.9 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | 115.2 | 156 | 128.3 | -147.9 | 12.8 | 0 | 0 | 0 | 119.4 | |||||
| 875 | L | 33.7 | Very low | 34 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | trans | 81 | 110.3 | 161.5 | -57.3 | -174.9 | 0 | 0 | 0 | 121.3 | ||||
| 876 | L | 33.4 | Very low | 33.9 | Very low | 147 Ų | 147 | 137.8 Ų | 137.8 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | 70.9 | 101.8 | 129.7 | -60.1 | 171.3 | 0 | 0 | 0 | 119.8 | |||||
| 877 | S | 30.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -134.9 | 114.8 | 134.4 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 878 | M | 29.7 | Very low | 34.1 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -100.5 | 131.5 | 169.3 | -80.6 | -171.8 | 65.2 | 0 | 0 | 109.2 | ||||
| 879 | V | 29.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -132.9 | 103.1 | 166.8 | 177.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 880 | S | 35.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 150.9 Ų | 150.9 | 53% | 0.531 | 79% | 0.788 | S | S | . | * | trans | -70.6 | 163 | 151.8 | -45.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 881 | E | 35.3 | Very low | 33.1 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | cis | -132.5 | 168.8 | 17.2 | -114.2 | 105.9 | -121 | 0 | 0 | 109.2 | ||||
| 882 | E | 31.8 | Very low | 32.8 | Very low | 167 Ų | 167 | 150.7 Ų | 150.7 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | 45 | 131.5 | 91.1 | -134.6 | 160.9 | -175.7 | 0 | 0 | 113.6 | |||||
| 883 | E | 33.5 | Very low | 32.5 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 60% | 0.603 | 78% | 0.784 | S | S | * | * | cis | -154.6 | 134.9 | 30.3 | -169.5 | 175.2 | -159.4 | 0 | 0 | 111.6 | K886 | E883-K886 IonicContact OE1-NZ 2.99Å; E883-K886 PolarHBondContact OE1-NZ 3.33Å | ||
| 884 | T | 34.4 | Very low | 32.5 | Very low | 140 Ų | 140 | 150.8 Ų | 150.8 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -177.7 | 109.1 | 154.4 | 12.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 885 | L | 33.1 | Very low | 32.9 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | trans | 169.7 | 76.2 | 148.7 | -96.9 | 168.7 | 0 | 0 | 0 | 110.3 | ||||
| 886 | K | 33 | Very low | 32.7 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | trans | -130 | 91.4 | 171.4 | -76.7 | 173.3 | -170.7 | 143.8 | 0 | 111 | E883 | E883-K886 IonicContact OE1-NZ 2.99Å; E883-K886 PolarHBondContact OE1-NZ 3.33Å | ||
| 887 | T | 32.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 146.1 Ų | 146.1 | 87% | 0.871 | 78% | 0.784 | S | S | * | * | trans | -170.8 | 162.2 | 147.4 | 11.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 888 | L | 35.2 | Very low | 32.6 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | 63.3 | 81.3 | 179.9 | -54.2 | 178.3 | 0 | 0 | 0 | 115.8 | ||||
| 889 | Y | 29 | Very low | 32.8 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 95% | 0.945 | 79% | 0.789 | S | S | * | * | -156.2 | 120.6 | 104 | -108 | -74.5 | 0 | 0 | 0 | 110.1 | |||||
| 890 | R | 29.4 | Very low | 32.7 | Very low | 224 Ų | 224 | 148.9 Ų | 148.9 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -109.6 | 140.9 | 174.6 | -145.2 | -164.8 | -155.4 | -169.9 | 8.3 | 108.2 | ||||
| 891 | N | 29.8 | Very low | 32.4 | Very low | 129 Ų | 129 | 151.8 Ų | 151.8 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | 60.5 | 112.8 | 172.3 | -57.3 | 2.5 | 0 | 0 | 0 | 116.2 | ||||
| 892 | N | 30.4 | Very low | 32.2 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | -173.1 | 109.4 | 112.2 | -89.4 | -24 | 0 | 0 | 0 | 110.6 | |||||
| 893 | N | 30.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 130.8 | 167.8 | -71.9 | -10.8 | 0 | 0 | 0 | 110 | ||
| 894 | P | 36.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.6 | 148.6 | 150.8 | 34.8 | -28.8 | 0 | 0 | 0 | 110.8 | ||
| 895 | P | 44.3 | Very low | 32.8 | Very low | 123 Ų | 123 | 152.4 Ų | 152.4 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 154.6 | -175.2 | 34.2 | -36 | 0 | 0 | 0 | 114.6 | ||
| 896 | A | 28.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 154.1 Ų | 154.1 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 28.2 | 102.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 897 | S | 31 | Very low | 32.6 | Very low | 105 Ų | 105 | 150.6 Ų | 150.6 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | 29.3 | 127.5 | 129.2 | 62.4 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 898 | H | 31.5 | Very low | 33.1 | Very low | 200 Ų | 200 | 149.1 Ų | 149.1 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -131.2 | 145.3 | 136.8 | -99.2 | -86.3 | 0 | 0 | 0 | 110.7 | ||||
| 899 | L | 32.4 | Very low | 32.8 | Very low | 145 Ų | 145 | 146.5 Ų | 146.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -110.8 | 137.7 | -170.1 | -152.8 | 89 | 0 | 0 | 0 | 110.6 | ||||
| 900 | C | 29.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -167.4 | 108.2 | 146.2 | -108.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 901 | V | 29.6 | Very low | 33 | Very low | 138 Ų | 138 | 137 Ų | 137 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 150.6 | 134.2 | -176.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 902 | K | 31.3 | Very low | 32.8 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 66% | 0.661 | 80% | 0.798 | S | S | * | * | trans | -115.2 | 130.5 | -164.5 | -63.7 | 174.5 | 178.6 | 174.4 | 0 | 113.8 | ||||
| 903 | T | 32.9 | Very low | 33 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | trans | 64 | 178.5 | 140.3 | 67.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 904 | P | 43.9 | Very low | 33.6 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | cis | -133.4 | 161.4 | -2.9 | 41 | -23.7 | 0 | 0 | 0 | 118.8 | ||||
| 905 | K | 35.7 | Very low | 33.1 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | 13.3 | 122 | 153.2 | -62.9 | 179.3 | 177.9 | 177.9 | 0 | 120.9 | ||||
| 906 | K | 30.3 | Very low | 32.4 | Very low | 216 Ų | 216 | 131.5 Ų | 131.5 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | -169.5 | 160.3 | 123.3 | -106.1 | 167 | -175.8 | 177.9 | 0 | 112 | |||||
| 907 | A | 31.4 | Very low | 32.4 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -102.2 | 176.3 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 908 | P | 43.2 | Very low | 32.8 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 80% | 0.802 | S | S | * | * | cis | -141.9 | -179.9 | 10.1 | 41.5 | -21.8 | 0 | 0 | 0 | 117.4 | ||||
| 909 | S | 28.8 | Very low | 33 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 64.9 | 145.6 | 144.4 | 66.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 910 | S | 29.7 | Very low | 33 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | 100.6 | 124.2 | 148.5 | 79 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 911 | L | 32.5 | Very low | 33.2 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | 30.3 | 111.5 | 139.6 | -66.3 | 161.3 | 0 | 0 | 0 | 120.3 | ||||
| 912 | T | 25.9 | Very low | 33.8 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | 179.5 | 147.5 | 97.5 | 26.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 913 | T | 35.1 | Very low | 34.2 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -83.7 | 159.8 | 159.6 | 6.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 914 | P | 41.4 | Very low | 34.6 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | -150.4 | 160.6 | 55.9 | 40.4 | -19.9 | 0 | 0 | 0 | 119.4 | |||||
| 915 | G | 25.7 | Very low | 34.8 | Very low | 66 Ų | 66 | 143.5 Ų | 143.5 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | trans | 64.8 | 105.2 | 131.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 916 | S | 31.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | 172 | 127.3 | 96.2 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 917 | T | 28.4 | Very low | 36 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -133.7 | 82.8 | 174.3 | 8.5 | 0 | 0 | 0 | 0 | 110.3 | K919 | T917-K919 PolarHBondContact O-N 3.16Š| ||
| 918 | L | 39 | Very low | 36.6 | Very low | 180 Ų | 180 | 144.8 Ų | 144.8 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | trans | -74.9 | 105.2 | 161.2 | -151.4 | 84.2 | 0 | 0 | 0 | 107.5 | ||||
| 919 | K | 34.6 | Very low | 36.9 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 138.5 | 172.2 | -80.1 | -164.5 | 173.6 | -175.5 | 0 | 111.6 | T917 G921 | T917-K919 PolarHBondContact O-N 3.16Å; K919-G921 PolarHBondContact O-N 3.02Å | ||
| 920 | F | 32.9 | Very low | 37.8 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -54.5 | 128.8 | -172.1 | -76.6 | -104.5 | 0 | 0 | 0 | 113.3 | ||||
| 921 | G | 34.2 | Very low | 38.7 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -96.3 | 102.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K919 | K919-G921 PolarHBondContact O-N 3.02Š| ||
| 922 | A | 42.6 | Very low | 39.6 | Very low | 82 Ų | 82 | 146.8 Ų | 146.8 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | -158.1 | 160.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | R924 | A922-R924 PolarHBondContact O-N 3.21Š| ||
| 923 | I | 38 | Very low | 40.9 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 91% | 0.913 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 60 | 39.8 | 170.4 | -31.3 | -178.8 | 0 | 0 | 0 | 115.8 | ||
| 924 | R | 43.1 | Very low | 41.8 | Very low | 220 Ų | 220 | 143.2 Ų | 143.2 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | -149.8 | 63.1 | 154.3 | -162.2 | -176.8 | -68.6 | -165.6 | -0.3 | 112.6 | A922 | A922-R924 PolarHBondContact O-N 3.21Š| ||
| 925 | K | 46.4 | Very low | 42.3 | Very low | 175 Ų | 175 | 140.3 Ų | 140.3 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | trans | -151.9 | 49.3 | 178.3 | -151.4 | 179.7 | -177.7 | -178.1 | 0 | 115.3 | ||||
| 926 | M | 43.8 | Very low | 43.8 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -141.7 | 0.6 | 173.6 | -74 | -162.2 | 77.8 | 0 | 0 | 115.8 | ||
| 927 | R | 47.8 | Very low | 45.2 | Very low | 229 Ų | 229 | 145.4 Ų | 145.4 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -108 | -21.9 | -177.2 | -131.8 | 179.2 | -166.9 | -169.7 | 3.8 | 115.2 | ||
| 928 | E | 44.4 | Very low | 46.5 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -92.6 | -35.7 | -174.9 | -72.7 | 157.2 | -162.1 | 0 | 0 | 113.1 | R930 W931 | E928-R930 PolarHBondContact O-N 3.46Å; E928-W931 PolarHBondContact O-N 3.17Å |
| 929 | D | 50 | Low | 47.8 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 47% | 0.465 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -60.4 | -23.5 | -175.4 | -69.4 | -59.7 | 0 | 0 | 0 | 114.5 | W931 A932 V933 | D929-W931 VanDerWaalsContact C-N 3.34Å; D929-W931 PolarHBondContact O-N 3.03Å; D929-A932 PolarHBondContact O-N 3.23Å; D929-V933 WeakPolarHBondContact O-CG2 3.22Å; D929-V933 PolarHBondContact O-N 2.77Å |
| 930 | R | 47.4 | Very low | 49.1 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64.6 | -36.1 | 179 | -68.2 | -174.7 | -179 | -107.1 | -0 | 112.7 | E928 I934 | E928-R930 PolarHBondContact O-N 3.46Å; R930-I934 WeakPolarHBondContact O-CG1 3.09Å |
| 931 | W | 47.6 | Very low | 50.7 | Low | 202 Ų | 202 | 138.6 Ų | 138.6 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.9 | -37.8 | 177.8 | -69.1 | 104.1 | 0 | 0 | 0 | 112 | E928 D929 V933 I934 A935 | E928-W931 PolarHBondContact O-N 3.17Å; D929-W931 VanDerWaalsContact C-N 3.34Å; D929-W931 PolarHBondContact O-N 3.03Å; W931-V933 VanDerWaalsContact C-N 3.33Å; W931-V933 PolarHBondContact O-N 2.88Å; W931-I934 PolarHBondContact O-N 3.24Å; W931-A935 WeakPolarHBondContact O-CB 3.32Å; W931-A935 PolarHBondContact O-N 3.48Å |
| 932 | A | 51.8 | Low | 52.1 | Low | 45 Ų | 45 | 140.3 Ų | 140.3 | 37% | 0.372 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.1 | -34.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D929 K936 | D929-A932 PolarHBondContact O-N 3.23Å; A932-K936 WeakPolarHBondContact O-CB 3.09Å; A932-K936 VanDerWaalsContact O-CG 3.31Å; A932-K936 WeakPolarHBondContact O-CG 3.22Å; A932-K936 PolarHBondContact O-N 3.28Å |
| 933 | V | 53.8 | Low | 53.1 | Low | 95 Ų | 95 | 142 Ų | 142 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.7 | -45 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | D929 W931 K936 M937 | D929-V933 WeakPolarHBondContact O-CG2 3.22Å; D929-V933 PolarHBondContact O-N 2.77Å; W931-V933 VanDerWaalsContact C-N 3.33Å; W931-V933 PolarHBondContact O-N 2.88Å; V933-K936 PolarHBondContact O-N 2.75Å; V933-M937 PolarHBondContact O-N 2.85Å |
| 934 | I | 53.2 | Low | 54.1 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 51% | 0.513 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63 | -46.8 | 179.2 | -64.7 | 169.7 | 0 | 0 | 0 | 110.6 | R930 W931 K936 M937 D938 | R930-I934 WeakPolarHBondContact O-CG1 3.09Å; W931-I934 PolarHBondContact O-N 3.24Å; I934-K936 VanDerWaalsContact C-N 3.3Å; I934-K936 PolarHBondContact O-N 3.13Å; I934-M937 PolarHBondContact O-N 3.24Å; I934-M937 VanDerWaalsContact O-N 3.11Å; I934-D938 PolarHBondContact O-N 3.22Å |
| 935 | A | 52.1 | Low | 54.8 | Low | 62 Ų | 62 | 134.2 Ų | 134.2 | 51% | 0.512 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.8 | -34.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | W931 R939 | W931-A935 WeakPolarHBondContact O-CB 3.32Å; W931-A935 PolarHBondContact O-N 3.48Å; A935-R939 PolarHBondContact O-N 3.16Å |
| 936 | K | 57 | Low | 55.4 | Low | 160 Ų | 160 | 128.4 Ų | 128.4 | 70% | 0.696 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.1 | -36 | 173.7 | -75.8 | 175.6 | -180 | 178.1 | 0 | 112.3 | A932 V933 I934 K940 | A932-K936 WeakPolarHBondContact O-CB 3.09Å; A932-K936 VanDerWaalsContact O-CG 3.31Å; A932-K936 WeakPolarHBondContact O-CG 3.22Å; A932-K936 PolarHBondContact O-N 3.28Å; V933-K936 PolarHBondContact O-N 2.75Å; I934-K936 VanDerWaalsContact C-N 3.3Å; I934-K936 PolarHBondContact O-N 3.13Å; K936-K940 WeakPolarHBondContact O-CB 3.12Å; K936-K940 PolarHBondContact O-N 2.86Å |
| 937 | M | 60.5 | Low | 55.9 | Low | 133 Ų | 133 | 126.9 Ų | 126.9 | 66% | 0.655 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.9 | -41.6 | 178.8 | -167.1 | 158.2 | 68.8 | 0 | 0 | 112.2 | V933 I934 K940 K941 | V933-M937 PolarHBondContact O-N 2.85Å; I934-M937 PolarHBondContact O-N 3.24Å; I934-M937 VanDerWaalsContact O-N 3.11Å; M937-K940 PolarHBondContact O-N 2.75Å; M937-K941 PolarHBondContact O-N 2.65Å |
| 938 | D | 56.3 | Low | 56.3 | Low | 75 Ų | 75 | 124.3 Ų | 124.3 | 40% | 0.401 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.2 | -41.9 | 178.2 | -170.4 | 58.8 | 0 | 0 | 0 | 112.4 | I934 K940 K941 K942 | I934-D938 PolarHBondContact O-N 3.22Å; D938-K940 VanDerWaalsContact C-N 3.32Å; D938-K940 PolarHBondContact O-N 2.86Å; D938-K941 PolarHBondContact O-N 2.97Å; D938-K942 PolarHBondContact O-N 2.72Å; D938-K942 IonicContact OD1-NZ 3.56Å; D938-K942 WeakPolarHBondContact OD2-CE 3.47Å; D938-K942 IonicContact OD2-NZ 2.66Å; D938-K942 PolarHBondContact OD2-NZ 3.39Å |
| 939 | R | 66 | Low | 56.6 | Low | 205 Ų | 205 | 124.2 Ų | 124.2 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -57.1 | -43 | 170.7 | -92.8 | -175.9 | 168.6 | 164.1 | -1.8 | 112.3 | A935 K941 L943 | A935-R939 PolarHBondContact O-N 3.16Å; R939-K941 VanDerWaalsContact C-N 3.3Å; R939-K941 PolarHBondContact O-N 3.24Å; R939-L943 PolarHBondContact O-N 2.72Å; R939-L943 VanDerWaalsContact O-N 3.12Å |
| 940 | K | 62.7 | Low | 56.4 | Low | 158 Ų | 158 | 129.2 Ų | 129.2 | 69% | 0.687 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.6 | -22.1 | -179.9 | -156.4 | 171.4 | -172.5 | 178.2 | 0 | 112.9 | K936 M937 D938 | K936-K940 WeakPolarHBondContact O-CB 3.12Å; K936-K940 PolarHBondContact O-N 2.86Å; M937-K940 PolarHBondContact O-N 2.75Å; D938-K940 VanDerWaalsContact C-N 3.32Å; D938-K940 PolarHBondContact O-N 2.86Å |
| 941 | K | 66.1 | Low | 56.2 | Low | 123 Ų | 123 | 129.8 Ų | 129.8 | 54% | 0.535 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -77.2 | -49.6 | 172 | -167.8 | -178.9 | 176.9 | -170.2 | 0 | 111.6 | M937 D938 R939 L943 K944 E945 | M937-K941 PolarHBondContact O-N 2.65Å; D938-K941 PolarHBondContact O-N 2.97Å; R939-K941 VanDerWaalsContact C-N 3.3Å; R939-K941 PolarHBondContact O-N 3.24Å; K941-L943 VanDerWaalsContact C-N 3.3Å; K941-L943 PolarHBondContact O-N 2.71Å; K941-K944 PolarHBondContact O-N 2.87Å; K941-E945 PolarHBondContact O-N 3.19Å; K941-E945 VanDerWaalsContact O-N 3.11Å |
| 942 | K | 63 | Low | 56.6 | Low | 122 Ų | 122 | 126.2 Ų | 126.2 | 53% | 0.53 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.8 | -33 | 179.3 | -75.7 | 170.7 | 177.9 | 158.4 | 0 | 113.3 | D938 E945 A946 | D938-K942 PolarHBondContact O-N 2.72Å; D938-K942 IonicContact OD1-NZ 3.56Å; D938-K942 WeakPolarHBondContact OD2-CE 3.47Å; D938-K942 IonicContact OD2-NZ 2.66Å; D938-K942 PolarHBondContact OD2-NZ 3.39Å; K942-E945 PolarHBondContact O-N 2.77Å; K942-A946 PolarHBondContact O-N 2.99Å |
| 943 | L | 64.2 | Low | 56.9 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 61% | 0.613 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -60.8 | -43.3 | 171.1 | -121.4 | 156.9 | 0 | 0 | 0 | 111.9 | R939 K941 E945 A946 E947 | R939-L943 PolarHBondContact O-N 2.72Å; R939-L943 VanDerWaalsContact O-N 3.12Å; K941-L943 VanDerWaalsContact C-N 3.3Å; K941-L943 PolarHBondContact O-N 2.71Å; L943-E945 VanDerWaalsContact C-N 3.3Å; L943-E945 PolarHBondContact O-N 3.46Å; L943-A946 PolarHBondContact O-N 2.97Å; L943-E947 VanDerWaalsContact O-CB 3.3Å; L943-E947 WeakPolarHBondContact O-CB 3.03Å; L943-E947 PolarHBondContact O-N 2.72Å |
| 944 | K | 59.5 | Low | 57 | Low | 135 Ų | 135 | 132.4 Ų | 132.4 | 59% | 0.587 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.3 | -15 | 176.4 | -74.4 | -166.1 | 169.7 | -160.7 | 0 | 115 | K941 K948 | K941-K944 PolarHBondContact O-N 2.87Å; K944-K948 WeakPolarHBondContact O-CG 3.2Å |
| 945 | E | 58.2 | Low | 57.3 | Low | 100 Ų | 100 | 134.3 Ų | 134.3 | 47% | 0.467 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -87 | -37.8 | 171.1 | -75.6 | 167.8 | 164.2 | 0 | 0 | 110.7 | K941 K942 L943 K948 | K941-E945 PolarHBondContact O-N 3.19Å; K941-E945 VanDerWaalsContact O-N 3.11Å; K942-E945 PolarHBondContact O-N 2.77Å; L943-E945 VanDerWaalsContact C-N 3.3Å; L943-E945 PolarHBondContact O-N 3.46Å; E945-K948 PolarHBondContact O-N 2.77Å |
| 946 | A | 57.2 | Low | 57.6 | Low | 53 Ų | 53 | 138.8 Ų | 138.8 | 44% | 0.438 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -64.3 | -40.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K942 L943 K948 L949 | K942-A946 PolarHBondContact O-N 2.99Å; L943-A946 PolarHBondContact O-N 2.97Å; A946-K948 PolarHBondContact O-N 3.29Å; A946-L949 PolarHBondContact O-N 2.87Å |
| 947 | E | 54.9 | Low | 57.6 | Low | 134 Ų | 134 | 137.4 Ų | 137.4 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -13.7 | 176.8 | -161.5 | 168.6 | -125.3 | 0 | 0 | 113.1 | L943 | L943-E947 VanDerWaalsContact O-CB 3.3Å; L943-E947 WeakPolarHBondContact O-CB 3.03Å; L943-E947 PolarHBondContact O-N 2.72Å |
| 948 | K | 56.5 | Low | 57.4 | Low | 175 Ų | 175 | 137.7 Ų | 137.7 | 76% | 0.761 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -1.2 | 172.6 | -78 | -175.5 | 173.2 | -167.4 | 0 | 114.6 | K944 E945 A946 | K944-K948 WeakPolarHBondContact O-CG 3.2Å; E945-K948 PolarHBondContact O-N 2.77Å; A946-K948 PolarHBondContact O-N 3.29Å |
| 949 | L | 51 | Low | 57.5 | Low | 140 Ų | 140 | 142.5 Ų | 142.5 | 73% | 0.733 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -101 | 4.8 | 177.2 | -69.5 | 168.2 | 0 | 0 | 0 | 112.8 | A946 | A946-L949 PolarHBondContact O-N 2.87Š|
| 950 | F | 45.9 | Very low | 56.8 | Low | 193 Ų | 193 | 137.3 Ų | 137.3 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -136.8 | 57.3 | 177.6 | -76.7 | -78 | 0 | 0 | 0 | 112.2 | ||||
| 951 | V | 42.5 | Very low | 56.3 | Low | 198 Ų | 198 | 135.5 Ų | 135.5 | 100% | 1.2 | 67% | 0.667 | S | S | * | * | trans | -139.1 | 0 | 159.8 | -177.3 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 951 of 951 residues in 1325.2 ms
(Link to these results)