| 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 | 37.4 | Very low | 35.8 | Very low | 253 Ų | 253 | 144.3 Ų | 144.3 | 100% | 1.246 | 85% | 0.848 | S | S | * | * | 0 | 111.4 | 0 | -68.9 | -174.2 | -103.7 | 0 | 0 | 106.5 | |||||
| 2 | G | 38.5 | Very low | 35.2 | Very low | 79 Ų | 79 | 146.7 Ų | 146.7 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | cis | -146.8 | 162.3 | 2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 3 | N | 33.6 | Very low | 35 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 84% | 0.841 | S | S | * | * | trans | -77.2 | 155.5 | 174.6 | -87.7 | -3.8 | 0 | 0 | 0 | 111.6 | ||||
| 4 | T | 46.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 91% | 0.908 | 84% | 0.84 | S | S | * | * | trans | -142 | 121 | 134.1 | 52.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 5 | T | 42.9 | Very low | 34.4 | Very low | 118 Ų | 118 | 147.7 Ų | 147.7 | 72% | 0.724 | 83% | 0.83 | S | S | * | * | trans | -103.8 | 151 | 171.6 | 45.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | S | 34.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 83% | 0.833 | S | S | * | * | trans | 162 | 110.8 | 136.6 | -96.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | E | 32.8 | Very low | 34.1 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 67% | 0.673 | 83% | 0.834 | S | S | * | * | 67.5 | 108.6 | 77.5 | -74.5 | -138.5 | 117.2 | 0 | 0 | 115.9 | |||||
| 8 | R | 34.2 | Very low | 34.1 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | 49.1 | 133.2 | 131.7 | -64.2 | 175.6 | 171 | 150 | -9.9 | 119.5 | ||||
| 9 | L | 31.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | -172.6 | 150.7 | 107.6 | -93.1 | 170.6 | 0 | 0 | 0 | 112.5 | |||||
| 10 | S | 32.2 | Very low | 33.8 | Very low | 119 Ų | 119 | 151.9 Ų | 151.9 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -73.9 | 157.9 | -170.6 | -46.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 11 | G | 30.4 | Very low | 33.6 | Very low | 84 Ų | 84 | 150.3 Ų | 150.3 | 87% | 0.866 | 83% | 0.83 | S | S | * | * | trans | -158.1 | 106.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 12 | E | 28 | Very low | 33.3 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -95.9 | 167.1 | -170.8 | -126.3 | -176.1 | 113.1 | 0 | 0 | 112.8 | ||||
| 13 | R | 33.2 | Very low | 32.8 | Very low | 210 Ų | 210 | 145.9 Ų | 145.9 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | trans | 85 | 134 | 163.4 | -61.9 | 169 | -177 | -152.4 | 0.6 | 116.6 | ||||
| 14 | H | 32.3 | Very low | 32.5 | Very low | 178 Ų | 178 | 145 Ų | 145 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | cis | -138.1 | 155.8 | 23.2 | -85.4 | -94.7 | 0 | 0 | 0 | 109.5 | ||||
| 15 | G | 27.9 | Very low | 31.6 | Very low | 67 Ų | 67 | 141.8 Ų | 141.8 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | 109 | 85.9 | 15.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 16 | S | 32.3 | Very low | 31.2 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 88% | 0.881 | 81% | 0.812 | S | S | * | * | trans | -169.5 | 105.8 | 146 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 17 | K | 32.5 | Very low | 31.4 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -90.4 | 149 | 160.7 | -75.5 | 178.6 | 173.4 | 177.4 | 0 | 108.7 | ||||
| 18 | S | 33.1 | Very low | 31.3 | Very low | 126 Ų | 126 | 143.7 Ų | 143.7 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | trans | -137.8 | 128.6 | 148.1 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 19 | H | 31.1 | Very low | 31.1 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 69% | 0.694 | 83% | 0.826 | S | S | * | * | trans | -69.2 | 136.9 | 178 | -97.6 | -111.5 | 0 | 0 | 0 | 111.9 | ||||
| 20 | R | 31.2 | Very low | 31 | Very low | 227 Ų | 227 | 136 Ų | 136 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | 57.6 | 121.2 | 98.8 | -73.2 | -168.1 | 169 | -176.7 | -3.1 | 117.6 | |||||
| 21 | S | 30.8 | Very low | 30.8 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | -160.9 | 142.6 | 128.4 | 57 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 22 | D | 29.6 | Very low | 30.8 | Very low | 174 Ų | 174 | 145 Ų | 145 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -64.6 | 168.3 | -174.1 | -73.6 | -58.4 | 0 | 0 | 0 | 117.3 | ||||
| 23 | G | 28.1 | Very low | 31 | Very low | 64 Ų | 64 | 145.4 Ų | 145.4 | 66% | 0.66 | 82% | 0.823 | S | S | * | * | trans | 147.3 | 82.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 24 | S | 28.9 | Very low | 31.4 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | trans | 47.8 | 130.8 | 134.3 | 61.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 25 | G | 27.4 | Very low | 31.4 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 144 | 89.3 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 26 | A | 33.3 | Very low | 31.7 | Very low | 94 Ų | 94 | 147.5 Ų | 147.5 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -84.2 | 161.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 27 | P | 38.9 | Very low | 31.9 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | -146.2 | 157.3 | 82.5 | 34.2 | -15 | 0 | 0 | 0 | 116.5 | |||||
| 28 | H | 30.3 | Very low | 32 | Very low | 189 Ų | 189 | 148.4 Ų | 148.4 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | trans | -55.2 | 146.3 | 159.3 | -100.9 | -97.6 | 0 | 0 | 0 | 112.7 | ||||
| 29 | S | 30.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -121.3 | 112.9 | 155.9 | 66.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | S | 28.4 | Very low | 32.2 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -66.2 | 149.4 | 168.8 | 40.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 31 | K | 29.6 | Very low | 32.3 | Very low | 212 Ų | 212 | 139.1 Ų | 139.1 | 92% | 0.922 | 82% | 0.818 | S | S | * | * | trans | -141.4 | 95.9 | 148.4 | -83.7 | -170.4 | 177.8 | 177.3 | 0 | 109.9 | ||||
| 32 | E | 28.9 | Very low | 32.5 | Very low | 178 Ų | 178 | 138.9 Ų | 138.9 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -80.3 | 155.6 | 143.6 | -73.5 | -174.2 | 146.8 | 0 | 0 | 108.2 | ||||
| 33 | H | 33.1 | Very low | 32.8 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -156.2 | 153.4 | 132.6 | -103.3 | 76.4 | 0 | 0 | 0 | 110.5 | ||||
| 34 | P | 41.5 | Very low | 33.3 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 66% | 0.662 | 81% | 0.813 | S | S | * | * | trans | -107.1 | 162.4 | -155.8 | 38.9 | -28.9 | 0 | 0 | 0 | 112.8 | ||||
| 35 | H | 31.6 | Very low | 34.1 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | trans | -124.2 | 136 | 168.2 | -53.7 | -55.2 | 0 | 0 | 0 | 111.4 | ||||
| 36 | K | 35.5 | Very low | 34.5 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 146 | -164.9 | -73.2 | 168.8 | 169.5 | 176.3 | 0 | 114.1 | ||||
| 37 | I | 36.4 | Very low | 34.6 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -13.7 | 130.7 | 144 | -56.2 | 165.7 | 0 | 0 | 0 | 115.4 | V39 | I37-V39 HydrophobicContact CG2-CG2 4.05Š| ||
| 38 | M | 34.7 | Very low | 34.5 | Very low | 190 Ų | 190 | 146.1 Ų | 146.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | -150.8 | 140.4 | 128.9 | -115.7 | 170.5 | 73.6 | 0 | 0 | 111.9 | |||||
| 39 | V | 37.3 | Very low | 34.6 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -98.7 | 152.5 | -168.8 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | I37 | I37-V39 HydrophobicContact CG2-CG2 4.05Š| ||
| 40 | G | 30.4 | Very low | 35.1 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | trans | 140.2 | 107.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 41 | S | 32.9 | Very low | 35.3 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 66.6 | 125.2 | 85 | -152.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 42 | T | 36 | Very low | 35.6 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -170.4 | 166.1 | 25.4 | -16.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 43 | D | 34.6 | Very low | 35.9 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -43 | 145.1 | 170.1 | -49.2 | -76.9 | 0 | 0 | 0 | 115.1 | ||||
| 44 | D | 39.6 | Very low | 36.1 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | 177.8 | 152.4 | 99.9 | -137.8 | 14.6 | 0 | 0 | 0 | 111.5 | |||||
| 45 | P | 44.3 | Very low | 35.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | trans | -103 | 176.3 | -169.1 | 41.5 | -33.4 | 0 | 0 | 0 | 113.5 | ||||
| 46 | S | 36.3 | Very low | 36.1 | Very low | 109 Ų | 109 | 139.4 Ų | 139.4 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 70.8 | 131.8 | 171.9 | 77.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 47 | V | 35 | Very low | 35.9 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -163.4 | 133.9 | 71.2 | 157.7 | 0 | 0 | 0 | 0 | 108.8 | S49 | V47-S49 PolarHBondContact O-N 3.23Š| |||
| 48 | F | 37.1 | Very low | 36 | Very low | 200 Ų | 200 | 133 Ų | 133 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -59.4 | 123.8 | 161.8 | -110.2 | -101.4 | 0 | 0 | 0 | 110.2 | ||||
| 49 | S | 31.9 | Very low | 36.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -156.6 | 108.3 | 150.4 | 31.8 | 0 | 0 | 0 | 0 | 110.2 | V47 | V47-S49 PolarHBondContact O-N 3.23Š| ||
| 50 | S | 41.9 | Very low | 36.6 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -53.2 | 132 | 165.7 | -43.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 51 | H | 32.6 | Very low | 36.8 | Very low | 195 Ų | 195 | 143 Ų | 143 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -160 | 134.8 | 138.1 | -112.9 | -76.9 | 0 | 0 | 0 | 111.7 | ||||
| 52 | D | 36.9 | Very low | 37.2 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -61.4 | 135.5 | -177.7 | -158 | -0.6 | 0 | 0 | 0 | 112.4 | ||||
| 53 | S | 34.4 | Very low | 37.2 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -160.5 | 109.9 | 163.6 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 54 | K | 36.7 | Very low | 37.6 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -59.3 | 165.5 | 168.1 | -86.3 | 174.5 | 171.7 | 175.8 | 0 | 112.4 | ||||
| 55 | I | 34.5 | Very low | 37.6 | Very low | 164 Ų | 164 | 150 Ų | 150 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | 127.4 | 143.8 | 157.3 | -59.7 | 156 | 0 | 0 | 0 | 110 | ||||
| 56 | P | 38.7 | Very low | 37.5 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -122.6 | -179.9 | -85.4 | 38.9 | -17.1 | 0 | 0 | 0 | 112 | |||||
| 57 | G | 31.3 | Very low | 37.7 | Very low | 62 Ų | 62 | 153 Ų | 153 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | 72.4 | 113.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 58 | D | 39.1 | Very low | 38.2 | Very low | 160 Ų | 160 | 155.5 Ų | 155.5 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 80 | 88.9 | 140.6 | -49.2 | -14.2 | 0 | 0 | 0 | 117.8 | ||||
| 59 | K | 39.8 | Very low | 38.7 | Very low | 204 Ų | 204 | 154.7 Ų | 154.7 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | -159.7 | 114.5 | 119.7 | -100.5 | 155 | -169.3 | -177.2 | 0 | 109 | F61 | K59-F61 PolarHBondContact O-N 3Š| |||
| 60 | E | 43.9 | Very low | 39.4 | Very low | 198 Ų | 198 | 157.4 Ų | 157.4 | 93% | 0.925 | 81% | 0.812 | S | S | * | * | trans | -44 | 96.5 | 166.4 | -69.4 | 170.9 | 130 | 0 | 0 | 110 | M62 | E60-M62 PolarHBondContact O-N 2.89Š| ||
| 61 | F | 35.7 | Very low | 39.6 | Very low | 193 Ų | 193 | 157.4 Ų | 157.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | -74.7 | 119.2 | 158.9 | -162.9 | -97.2 | 0 | 0 | 0 | 105.1 | K59 S63 | K59-F61 PolarHBondContact O-N 3Å; F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.34Å | ||
| 62 | M | 40 | Very low | 40.2 | Very low | 172 Ų | 172 | 152.9 Ų | 152.9 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | -50 | 93.3 | -180 | -60.3 | -174.5 | 97.7 | 0 | 0 | 109.7 | E60 W64 | E60-M62 PolarHBondContact O-N 2.89Å; M62-W64 PolarHBondContact O-N 2.92Å | ||
| 63 | S | 36.2 | Very low | 40.5 | Very low | 95 Ų | 95 | 154.8 Ų | 154.8 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | trans | -65.8 | 116.4 | 164.3 | 46.2 | 0 | 0 | 0 | 0 | 104.6 | F61 Q65 | F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.34Å; S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 PolarHBondContact O-N 2.88Å | ||
| 64 | W | 43.1 | Very low | 41 | Very low | 247 Ų | 247 | 155.3 Ų | 155.3 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | -51.7 | 102.3 | 161.2 | -77.6 | 76.2 | 0 | 0 | 0 | 106.3 | M62 P66 | M62-W64 PolarHBondContact O-N 2.92Å; W64-P66 VanDerWaalsContact O-CD 3.3Å; W64-P66 WeakPolarHBondContact O-CD 3.31Å | ||
| 65 | Q | 40.2 | Very low | 41.8 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -67.1 | 118.1 | 167.6 | -72 | -170.8 | -10 | 0 | 0 | 104.7 | S63 D67 | S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 PolarHBondContact O-N 2.88Å; Q65-D67 PolarHBondContact O-N 3.01Å | ||
| 66 | P | 42.6 | Very low | 43.2 | Very low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | trans | -59.7 | 125.3 | 161 | -3.8 | 20.2 | 0 | 0 | 0 | 104.3 | W64 L68 | W64-P66 VanDerWaalsContact O-CD 3.3Å; W64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-L68 PolarHBondContact O-N 3.09Å | ||
| 67 | D | 40.4 | Very low | 45.2 | Very low | 153 Ų | 153 | 151.2 Ų | 151.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -43.7 | 121.4 | 169.1 | -76.2 | -36.9 | 0 | 0 | 0 | 106.6 | Q65 E69 | Q65-D67 PolarHBondContact O-N 3.01Å; D67-E69 PolarHBondContact O-N 2.8Å | ||
| 68 | L | 46.2 | Very low | 47.9 | Very low | 172 Ų | 172 | 150.5 Ų | 150.5 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -62.7 | 84.9 | 167 | -75.2 | 162.7 | 0 | 0 | 0 | 104.9 | P66 E70 | P66-L68 PolarHBondContact O-N 3.09Å; L68-E70 PolarHBondContact O-N 2.86Å | ||
| 69 | E | 47.3 | Very low | 50.3 | Low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | trans | -59.4 | 81.8 | 149.3 | -80.2 | -171.2 | 161 | 0 | 0 | 104.7 | D67 A71 | D67-E69 PolarHBondContact O-N 2.8Å; E69-A71 PolarHBondContact O-N 2.88Å | ||
| 70 | E | 46 | Very low | 52.9 | Low | 165 Ų | 165 | 139.3 Ų | 139.3 | 77% | 0.771 | 72% | 0.724 | S | S | * | * | trans | -44.8 | 119 | 159.2 | -151.4 | 170 | -153 | 0 | 0 | 104.7 | L68 V72 | L68-E70 PolarHBondContact O-N 2.86Å; E70-V72 PolarHBondContact O-N 2.91Å | ||
| 71 | A | 45.3 | Very low | 55.4 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | trans | -66 | 73.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | E69 K73 | E69-A71 PolarHBondContact O-N 2.88Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 2.81Å | ||
| 72 | V | 46.6 | Very low | 58.3 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | trans | -64.5 | 102.4 | 162.5 | -178.3 | 0 | 0 | 0 | 0 | 102.9 | E70 | E70-V72 PolarHBondContact O-N 2.91Š| ||
| 73 | K | 41.7 | Very low | 61 | Low | 183 Ų | 183 | 117.7 Ų | 117.7 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | trans | -39.4 | 130 | 159.2 | -65.7 | 177.1 | 179.9 | 178.2 | 0 | 105.7 | A71 S75 | A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 2.81Å; K73-S75 PolarHBondContact O-N 2.76Å | ||
| 74 | P | 44.9 | Very low | 63.8 | Low | 130 Ų | 130 | 120 Ų | 120 | 84% | 0.844 | 63% | 0.625 | S | S | * | * | trans | -61.8 | 90.5 | 178.9 | 24.7 | -31.8 | 0 | 0 | 0 | 107.3 | ||||
| 75 | S | 53.8 | Low | 66.4 | Low | 81 Ų | 81 | 108.8 Ų | 108.8 | 57% | 0.566 | 58% | 0.582 | S | S | * | * | trans | -58.6 | 140.1 | 156.8 | 47.4 | 0 | 0 | 0 | 0 | 104.1 | K73 Q77 | K73-S75 PolarHBondContact O-N 2.76Å; S75-Q77 PolarHBondContact O-N 3.45Å | ||
| 76 | Q | 64.8 | Low | 69 | Low | 163 Ų | 163 | 103.3 Ų | 103.3 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | trans | -61.4 | 82.4 | 171.5 | -70.7 | 174.4 | -34 | 0 | 0 | 107.4 | A78 P121 | Q76-A78 PolarHBondContact O-N 2.9Å; Q76-A78 VanDerWaalsContact O-N 3.16Å; Q76-P121 HydrophobicContact CB-CB 4.19Å | ||
| 77 | Q | 79.6 | Confident | 71.3 | Confident | 141 Ų | 141 | 103.1 Ų | 103.1 | 66% | 0.659 | 56% | 0.557 | S | S | * | * | trans | -67.1 | 118.6 | -174.4 | -173.6 | 173.5 | 8.5 | 0 | 0 | 106 | S75 R79 | S75-Q77 PolarHBondContact O-N 3.45Å; Q77-R79 VanDerWaalsContact O-CG 3.23Å; Q77-R79 WeakPolarHBondContact O-CG 3.31Å | ||
| 78 | A | 88.2 | Confident | 73.6 | Confident | 46 Ų | 46 | 97.2 Ų | 97.2 | 38% | 0.38 | 53% | 0.532 | S | S | . | . | trans | -64.1 | 141.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109 | Q76 D119 L120 | Q76-A78 PolarHBondContact O-N 2.9Å; Q76-A78 VanDerWaalsContact O-N 3.16Å; A78-D119 HydrophobicContact CB-CB 3.85Å; A78-L120 WeakPolarHBondContact CA-O 3.42Å | ||
| 79 | R | 89.4 | Confident | 75.8 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 19% | 0.189 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 144.7 | -171.3 | -49.2 | -175.1 | 168.3 | -164.6 | -10 | 111.2 | Q77 T81 D119 L120 K159 F162 | Q77-R79 VanDerWaalsContact O-CG 3.23Å; Q77-R79 WeakPolarHBondContact O-CG 3.31Å; R79-T81 PolarHBondContact O-N 2.63Å; R79-T81 VanDerWaalsContact O-N 3.14Å; R79-T81 PolarHBondContact O-OG1 3Å; R79-D119 CarbonylContact O-C 3.58Å; R79-D119 WeakPolarHBondContact O-CA 3.38Å; R79-L120 PolarHBondContact N-O 3.32Å; R79-L120 PolarHBondContact O-N 3.39Å; R79-K159 PolarHBondContact NH1-O 2.8Å; R79-F162 HydrophobicContact CB-CD1 3.87Å; R79-F162 HydrophobicContact CB-CE1 3.15Å; R79-F162 HydrophobicContact CB-CE2 3.88Å; R79-F162 HydrophobicContact CB-CZ 3.13Å; R79-F162 HydrophobicContact CG-CD1 4.41Å; R79-F162 HydrophobicContact CG-CE1 4.06Å; R79-F162 HydrophobicContact CG-CE2 4.14Å; R79-F162 HydrophobicContact CG-CZ 3.89Å; R79-F162 VanDerWaalsContact NH1-CG 3.33Å |
| 80 | P | 95.4 | Very high | 77.9 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 117.8 | -172.2 | 25.6 | -34.7 | 0 | 0 | 0 | 110.5 | I117 D119 | P80-I117 HydrophobicContact CB-CG2 3.98Å; P80-D119 VanDerWaalsContact CA-OD1 3.29Å; P80-D119 WeakPolarHBondContact CA-OD1 3.41Å |
| 81 | T | 96.3 | Very high | 80.2 | Confident | 13 Ų | 13 | 88 Ų | 88 | 8% | 0.08 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 125.7 | -179.5 | -54.7 | 0 | 0 | 0 | 0 | 108.7 | R79 I117 L118 L120 I155 V157 | R79-T81 PolarHBondContact O-N 2.63Å; R79-T81 VanDerWaalsContact O-N 3.14Å; R79-T81 PolarHBondContact O-OG1 3Å; T81-I117 WeakPolarHBondContact O-CA 3.34Å; T81-L118 WeakPolarHBondContact CB-O 3.34Å; T81-L118 PolarHBondContact N-O 2.85Å; T81-L118 PolarHBondContact O-N 2.84Å; T81-L120 HydrophobicContact CG2-CD1 4.06Å; T81-I155 HydrophobicContact CG2-CD1 3.51Å; T81-V157 HydrophobicContact CG2-CG2 4.18Å |
| 82 | V | 96.1 | Very high | 82.7 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 56% | 0.564 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 124.8 | 179.4 | -176 | 0 | 0 | 0 | 0 | 108.8 | V115 I117 | V82-V115 HydrophobicContact CG1-CG1 3.82Å; V82-I117 HydrophobicContact CG2-CG1 4.35Å |
| 83 | I | 96.7 | Very high | 85.2 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.015 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 129 | 171.9 | -55.1 | 176.2 | 0 | 0 | 0 | 108.2 | I94 V115 A116 L118 Y127 F129 | I83-I94 HydrophobicContact CB-CD1 4.18Å; I83-I94 HydrophobicContact CD1-CD1 3.61Å; I83-I94 HydrophobicContact CG1-CD1 4.49Å; I83-I94 HydrophobicContact CG2-CD1 3.59Å; I83-V115 WeakPolarHBondContact O-CA 3.28Å; I83-A116 PolarHBondContact N-O 2.88Å; I83-A116 PolarHBondContact O-N 2.82Å; I83-L118 HydrophobicContact CD1-CD1 4.03Å; I83-Y127 HydrophobicContact CG2-CD2 4.29Å; I83-Y127 HydrophobicContact CG2-CE2 3.83Å; I83-F129 HydrophobicContact CG2-CE1 4.07Å; I83-F129 HydrophobicContact CG2-CZ 3.72Å |
| 84 | R | 96.3 | Very high | 87.8 | Confident | 144 Ų | 144 | 72.2 Ų | 72.2 | 54% | 0.543 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 147.1 | -172.5 | -174.6 | 168.3 | 70.4 | 145.6 | -6.4 | 111 | D113 F114 V115 | R84-D113 WeakPolarHBondContact CD-OD2 3.29Å; R84-D113 HydrophobicContact CG-CB 4.03Å; R84-D113 IonicContact CZ-OD2 2.73Å; R84-D113 IonicContact NE-OD2 3.47Å; R84-D113 IonicContact NH1-OD2 3.77Å; R84-D113 PolarHBondContact NH1-OD2 3.46Å; R84-F114 CarbonylContact C-O 3.54Å; R84-F114 WeakPolarHBondContact CA-O 3.12Å; R84-V115 HydrophobicContact CG-CG2 4.1Å |
| 85 | W | 96.7 | Very high | 90.3 | Very high | 11 Ų | 11 | 66.1 Ų | 66.1 | 4% | 0.042 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 119.2 | 173.6 | 172.8 | -97 | 0 | 0 | 0 | 109.4 | D87 G88 V92 L107 D113 F114 F129 V131 V136 D138 | W85-D87 HydrophobicContact CH2-CB 4.01Å; W85-D87 HydrophobicContact CZ2-CB 3.48Å; W85-D87 VanDerWaalsContact CZ2-CB 3.48Å; W85-G88 PolarHBondContact NE1-O 2.86Å; W85-V92 HydrophobicContact CB-CG1 4.35Å; W85-V92 HydrophobicContact CG-CG1 4.15Å; W85-L107 HydrophobicContact CB-CD2 4.13Å; W85-D113 CarbonylContact O-C 3.02Å; W85-D113 WeakPolarHBondContact O-CA 3.38Å; W85-F114 HydrophobicContact CB-CB 4.15Å; W85-F114 PolarHBondContact N-O 3.03Å; W85-F114 PolarHBondContact O-N 2.81Å; W85-F129 HydrophobicContact CB-CD1 4.2Å; W85-F129 HydrophobicContact CB-CE1 3.86Å; W85-F129 HydrophobicContact CB-CZ 4.12Å; W85-F129 HydrophobicContact CD2-CD2 4.37Å; W85-F129 HydrophobicContact CD2-CG 4.28Å; W85-F129 HydrophobicContact CE3-CB 4.31Å; W85-F129 HydrophobicContact CE3-CD1 4.28Å; W85-F129 AromaticContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CD2 3.43Å; W85-F129 VanDerWaalsContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CE1 4.48Å; W85-F129 AromaticContact CE3-CE2 3.65Å; W85-F129 HydrophobicContact CE3-CE2 3.65Å; W85-F129 AromaticContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CZ 4.18Å; W85-F129 HydrophobicContact CZ3-CB 4.46Å; W85-F129 AromaticContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CE2 4.24Å; W85-F129 HydrophobicContact CZ3-CG 4.23Å; W85-V131 HydrophobicContact CD2-CG2 4.42Å; W85-V131 HydrophobicContact CZ2-CG2 3.8Å; W85-V136 HydrophobicContact CH2-CB 4.28Å; W85-V136 HydrophobicContact CH2-CG2 3.52Å; W85-V136 HydrophobicContact CZ2-CG2 3.89Å; W85-V136 HydrophobicContact CZ3-CG2 4.17Å; W85-D138 HydrophobicContact CE3-CB 4.27Å; W85-D138 HydrophobicContact CZ3-CB 4.09Å |
| 86 | A | 94.9 | Very high | 92.3 | Very high | 45 Ų | 45 | 62.3 Ų | 62.3 | 37% | 0.372 | 33% | 0.327 | S | S | . | . | trans | -103.3 | -12.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | G88 | A86-G88 PolarHBondContact O-N 2.82Å; A86-G88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | D | 91.3 | Very high | 93.8 | Very high | 108 Ų | 108 | 56.4 Ų | 56.4 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -82.4 | 17.5 | -171.1 | -73.4 | -18 | 0 | 0 | 0 | 114.4 | W85 | W85-D87 HydrophobicContact CH2-CB 4.01Å; W85-D87 HydrophobicContact CZ2-CB 3.48Å; W85-D87 VanDerWaalsContact CZ2-CB 3.48Å |
| 88 | G | 88.9 | Confident | 94.5 | Very high | 28 Ų | 28 | 52.3 Ų | 52.3 | 29% | 0.289 | 28% | 0.284 | S | S | . | . | trans | 70.3 | -170.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W85 A86 | W85-G88 PolarHBondContact NE1-O 2.86Å; A86-G88 PolarHBondContact O-N 2.82Å; A86-G88 VanDerWaalsContact O-N 3.09Å | ||
| 89 | G | 91.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 51.1 Ų | 51.1 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | trans | 137.2 | 167 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | K109 F114 | G89-K109 PolarHBondContact O-NZ 3.22Å; G89-F114 VanDerWaalsContact O-CZ 3.28Å; G89-F114 WeakPolarHBondContact O-CZ 3.49Å | ||
| 90 | K | 91.9 | Very high | 94.9 | Very high | 174 Ų | 174 | 55.5 Ų | 55.5 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -92.8 | -51.5 | 171.1 | -61.1 | 179.2 | -178.1 | 175.3 | 0 | 110.6 | D132 | K90-D132 WeakPolarHBondContact CA-OD1 3.4Å; K90-D132 VanDerWaalsContact CB-OD1 3.31Å; K90-D132 WeakPolarHBondContact CB-OD1 3.35Å; K90-D132 PolarHBondContact N-OD1 3.11Å; K90-D132 PolarHBondContact N-OD2 2.88Å |
| 91 | E | 94.6 | Very high | 94.9 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -126.8 | 118.4 | 179.7 | -61.6 | -175.2 | 117.6 | 0 | 0 | 109.5 | F93 V131 D132 | E91-F93 HydrophobicContact CB-CE2 3.84Å; E91-F93 HydrophobicContact CB-CZ 4.48Å; E91-V131 WeakPolarHBondContact O-CA 3.26Å; E91-D132 PolarHBondContact N-OD1 2.68Å; E91-D132 PolarHBondContact O-N 3.26Å |
| 92 | V | 97.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 60.2 Ų | 60.2 | 2% | 0.024 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 126.7 | -177.9 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | W85 L107 F114 F129 V131 | W85-V92 HydrophobicContact CB-CG1 4.35Å; W85-V92 HydrophobicContact CG-CG1 4.15Å; V92-L107 HydrophobicContact CB-CB 4.36Å; V92-L107 HydrophobicContact CG1-CB 4.24Å; V92-L107 HydrophobicContact CG1-CD1 4.38Å; V92-L107 HydrophobicContact CG1-CD2 3.88Å; V92-L107 HydrophobicContact CG1-CG 4.37Å; V92-L107 PolarHBondContact O-N 2.92Å; V92-F114 HydrophobicContact CB-CB 4.2Å; V92-F114 HydrophobicContact CB-CD1 3.65Å; V92-F114 HydrophobicContact CB-CD2 4.4Å; V92-F114 HydrophobicContact CB-CE1 4Å; V92-F114 HydrophobicContact CB-CG 3.85Å; V92-F114 HydrophobicContact CG1-CB 4.21Å; V92-F114 HydrophobicContact CG1-CG 4.36Å; V92-F114 HydrophobicContact CG2-CB 4.37Å; V92-F114 HydrophobicContact CG2-CD1 3.68Å; V92-F114 HydrophobicContact CG2-CD2 3.7Å; V92-F114 HydrophobicContact CG2-CE1 3.69Å; V92-F114 HydrophobicContact CG2-CE2 3.73Å; V92-F114 HydrophobicContact CG2-CG 3.66Å; V92-F114 HydrophobicContact CG2-CZ 3.7Å; V92-F129 HydrophobicContact CG1-CD1 4.25Å; V92-V131 HydrophobicContact CG1-CG2 4.06Å; V92-V131 HydrophobicContact CG2-CG1 4.19Å; V92-V131 HydrophobicContact CG2-CG2 4.19Å |
| 93 | F | 97.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 22% | 0.215 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 161.9 | 174.2 | -52.6 | -100.2 | 0 | 0 | 0 | 110.7 | E91 K104 I105 P106 F129 F130 | E91-F93 HydrophobicContact CB-CE2 3.84Å; E91-F93 HydrophobicContact CB-CZ 4.48Å; F93-K104 HydrophobicContact CB-CB 3.8Å; F93-K104 HydrophobicContact CB-CG 4.44Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CG-CB 4.01Å; F93-I105 CarbonylContact C-O 2.99Å; F93-I105 WeakPolarHBondContact CA-O 3.19Å; F93-I105 WeakPolarHBondContact CB-O 3.39Å; F93-P106 HydrophobicContact CD1-CB 3.85Å; F93-P106 HydrophobicContact CE1-CB 3.83Å; F93-F129 CarbonylContact O-C 3.6Å; F93-F129 WeakPolarHBondContact O-CA 3.48Å; F93-F130 HydrophobicContact CB-CB 4.29Å; F93-F130 HydrophobicContact CD2-CD1 4.02Å; F93-F130 PolarHBondContact N-O 3.21Å; F93-F130 PolarHBondContact O-N 3.1Å |
| 94 | I | 97.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.3 | 173.5 | -171.3 | 170.8 | 0 | 0 | 0 | 110.9 | I83 F98 I105 L107 L118 Y127 F129 | I83-I94 HydrophobicContact CB-CD1 4.18Å; I83-I94 HydrophobicContact CD1-CD1 3.61Å; I83-I94 HydrophobicContact CG1-CD1 4.49Å; I83-I94 HydrophobicContact CG2-CD1 3.59Å; I94-F98 HydrophobicContact CD1-CZ 4.43Å; I94-F98 HydrophobicContact CG1-CZ 4.35Å; I94-I105 HydrophobicContact CG2-CB 3.92Å; I94-I105 PolarHBondContact N-O 2.91Å; I94-I105 PolarHBondContact O-N 2.82Å; I94-L107 HydrophobicContact CB-CD1 3.65Å; I94-L107 HydrophobicContact CG2-CD1 3.47Å; I94-L107 VanDerWaalsContact CG2-CD1 3.47Å; I94-L118 HydrophobicContact CG2-CD1 4.45Å; I94-Y127 HydrophobicContact CD1-CD2 3.59Å; I94-Y127 HydrophobicContact CD1-CE2 4.33Å; I94-Y127 HydrophobicContact CD1-CG 4.1Å; I94-Y127 HydrophobicContact CG1-CD2 4.18Å; I94-F129 HydrophobicContact CB-CD1 4.37Å; I94-F129 HydrophobicContact CD1-CE1 4.13Å |
| 95 | S | 97.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.014 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.6 | 167.7 | -60.3 | 0 | 0 | 0 | 0 | 109.1 | W101 T103 Y127 K128 | S95-W101 WeakPolarHBondContact O-CZ3 3.26Å; S95-T103 PolarHBondContact OG-O 2.87Å; S95-Y127 CarbonylContact O-C 3.29Å; S95-Y127 VanDerWaalsContact O-CA 3.31Å; S95-Y127 WeakPolarHBondContact O-CA 3.4Å; S95-K128 PolarHBondContact N-O 3.1Å; S95-K128 VanDerWaalsContact N-O 3.11Å; S95-K128 PolarHBondContact O-N 2.95Å |
| 96 | G | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -172.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | F98 N99 N100 W101 Q126 | G96-F98 PolarHBondContact O-N 3.03Å; G96-N99 PolarHBondContact N-OD1 2.85Å; G96-N99 PolarHBondContact O-N 2.76Å; G96-N99 PolarHBondContact O-OD1 2.68Å; G96-N100 PolarHBondContact O-N 3.02Å; G96-W101 PolarHBondContact O-N 3.49Å; G96-Q126 CarbonylContact C-O 3.49Å; G96-Q126 WeakPolarHBondContact CA-O 3.36Å |
| 97 | S | 95.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -58.8 | -35.5 | 177.2 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | N99 N100 H125 Q126 | S97-N99 PolarHBondContact O-N 3.05Å; S97-N100 PolarHBondContact O-N 2.86Å; S97-N100 VanDerWaalsContact O-N 3.1Å; S97-H125 WeakPolarHBondContact OG-CA 3.45Å; S97-Q126 PolarHBondContact N-O 2.97Å; S97-Q126 PolarHBondContact OG-N 3.28Å; S97-Q126 VanDerWaalsContact OG-N 3.1Å; S97-Q126 PolarHBondContact OG-O 2.86Å |
| 98 | F | 93.9 | Very high | 95 | Very high | 55 Ų | 55 | 62.6 Ų | 62.6 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -63.9 | -20.9 | -179 | 53.6 | -101.5 | 0 | 0 | 0 | 114.6 | I94 G96 I105 L118 L120 H125 | I94-F98 HydrophobicContact CD1-CZ 4.43Å; I94-F98 HydrophobicContact CG1-CZ 4.35Å; G96-F98 PolarHBondContact O-N 3.03Å; F98-I105 HydrophobicContact CE2-CD1 3.83Å; F98-L118 HydrophobicContact CD2-CD1 4.3Å; F98-L118 HydrophobicContact CE1-CD1 4.13Å; F98-L118 HydrophobicContact CE2-CD1 3.59Å; F98-L118 HydrophobicContact CZ-CD1 3.48Å; F98-L118 VanDerWaalsContact CZ-CD1 3.48Å; F98-L120 HydrophobicContact CB-CD2 3.52Å; F98-L120 HydrophobicContact CD1-CD1 4.42Å; F98-L120 HydrophobicContact CD1-CD2 3.67Å; F98-L120 HydrophobicContact CD2-CD2 4.27Å; F98-L120 HydrophobicContact CE1-CD2 4.47Å; F98-L120 HydrophobicContact CG-CD2 3.55Å; F98-H125 HydrophobicContact CD1-CB 4.48Å |
| 99 | N | 93.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 67.5 Ų | 67.5 | 11% | 0.112 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -120.3 | 23.6 | 173.4 | 75.6 | -16.9 | 0 | 0 | 0 | 112.7 | G96 S97 W101 S102 T103 | G96-N99 PolarHBondContact N-OD1 2.85Å; G96-N99 PolarHBondContact O-N 2.76Å; G96-N99 PolarHBondContact O-OD1 2.68Å; S97-N99 PolarHBondContact O-N 3.05Å; N99-W101 PolarHBondContact O-N 3.43Å; N99-W101 VanDerWaalsContact O-N 3.09Å; N99-W101 PolarHBondContact OD1-N 2.83Å; N99-S102 WeakPolarHBondContact O-CB 3.48Å; N99-S102 PolarHBondContact O-N 3.47Å; N99-S102 PolarHBondContact O-OG 2.85Å; N99-T103 PolarHBondContact ND2-O 2.84Å; N99-T103 PolarHBondContact ND2-OG1 3.01Å |
| 100 | N | 93.9 | Very high | 95.2 | Very high | 141 Ų | 141 | 69.6 Ų | 69.6 | 75% | 0.754 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 30.6 | -178.5 | -61.2 | -45.9 | 0 | 0 | 0 | 113.6 | G96 S97 S102 | G96-N100 PolarHBondContact O-N 3.02Å; S97-N100 PolarHBondContact O-N 2.86Å; S97-N100 VanDerWaalsContact O-N 3.1Å; N100-S102 PolarHBondContact O-N 3.49Å |
| 101 | W | 94.2 | Very high | 94.9 | Very high | 102 Ų | 102 | 70.5 Ų | 70.5 | 39% | 0.386 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 19.4 | -176.1 | -55 | 90.2 | 0 | 0 | 0 | 114.3 | S95 G96 N99 Q126 K128 N152 | S95-W101 WeakPolarHBondContact O-CZ3 3.26Å; G96-W101 PolarHBondContact O-N 3.49Å; N99-W101 PolarHBondContact O-N 3.43Å; N99-W101 VanDerWaalsContact O-N 3.09Å; N99-W101 PolarHBondContact OD1-N 2.83Å; W101-Q126 HydrophobicContact CH2-CB 4.49Å; W101-Q126 HydrophobicContact CZ2-CB 3.89Å; W101-K128 HydrophobicContact CH2-CB 4.15Å; W101-K128 HydrophobicContact CZ3-CB 3.75Å; W101-N152 HydrophobicContact CH2-CB 4.21Å; W101-N152 WeakPolarHBondContact CH2-ND2 3.32Å; W101-N152 WeakPolarHBondContact CZ2-ND2 3.39Å |
| 102 | S | 92.1 | Very high | 94.6 | Very high | 90 Ų | 90 | 70.4 Ų | 70.4 | 63% | 0.629 | 37% | 0.368 | S | S | * | . | trans | -85.8 | -34.5 | -168.2 | 64.1 | 0 | 0 | 0 | 0 | 113.2 | N99 N100 | N99-S102 WeakPolarHBondContact O-CB 3.48Å; N99-S102 PolarHBondContact O-N 3.47Å; N99-S102 PolarHBondContact O-OG 2.85Å; N100-S102 PolarHBondContact O-N 3.49Å | ||
| 103 | T | 94.1 | Very high | 94.4 | Very high | 80 Ų | 80 | 71.7 Ų | 71.7 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -128.6 | 154.5 | -175.1 | 58.8 | 0 | 0 | 0 | 0 | 111.3 | S95 N99 | S95-T103 PolarHBondContact OG-O 2.87Å; N99-T103 PolarHBondContact ND2-O 2.84Å; N99-T103 PolarHBondContact ND2-OG1 3.01Å |
| 104 | K | 96.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | trans | -98.9 | 112.6 | 173.5 | -69.3 | -179.2 | -170.9 | 173.4 | 0 | 108.2 | F93 F130 | F93-K104 HydrophobicContact CB-CB 3.8Å; F93-K104 HydrophobicContact CB-CG 4.44Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CG-CB 4.01Å; K104-F130 HydrophobicContact CD-CB 4.4Å; K104-F130 HydrophobicContact CD-CD1 3.85Å; K104-F130 HydrophobicContact CD-CE1 4.3Å; K104-F130 HydrophobicContact CD-CG 4.08Å | ||
| 105 | I | 97.2 | Very high | 94.3 | Very high | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.3 | 177.9 | -54.7 | 178.9 | 0 | 0 | 0 | 107.6 | F93 I94 F98 L118 | F93-I105 CarbonylContact C-O 2.99Å; F93-I105 WeakPolarHBondContact CA-O 3.19Å; F93-I105 WeakPolarHBondContact CB-O 3.39Å; I94-I105 HydrophobicContact CG2-CB 3.92Å; I94-I105 PolarHBondContact N-O 2.91Å; I94-I105 PolarHBondContact O-N 2.82Å; F98-I105 HydrophobicContact CE2-CD1 3.83Å; I105-L118 HydrophobicContact CD1-CD1 4.37Å; I105-L118 HydrophobicContact CD1-CD2 3.99Å; I105-L118 HydrophobicContact CG2-CD2 4.35Å |
| 106 | P | 97.1 | Very high | 94.2 | Very high | 84 Ų | 84 | 71.8 Ų | 71.8 | 55% | 0.545 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 136.7 | 179.6 | 27.8 | -33.3 | 0 | 0 | 0 | 111 | F93 | F93-P106 HydrophobicContact CD1-CB 3.85Å; F93-P106 HydrophobicContact CE1-CB 3.83Å |
| 107 | L | 97.6 | Very high | 94.2 | Very high | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -85.5 | 146.1 | 171.4 | -85.4 | 67.5 | 0 | 0 | 0 | 110.6 | W85 V92 I94 F114 A116 F129 | W85-L107 HydrophobicContact CB-CD2 4.13Å; V92-L107 HydrophobicContact CB-CB 4.36Å; V92-L107 HydrophobicContact CG1-CB 4.24Å; V92-L107 HydrophobicContact CG1-CD1 4.38Å; V92-L107 HydrophobicContact CG1-CD2 3.88Å; V92-L107 HydrophobicContact CG1-CG 4.37Å; V92-L107 PolarHBondContact O-N 2.92Å; I94-L107 HydrophobicContact CB-CD1 3.65Å; I94-L107 HydrophobicContact CG2-CD1 3.47Å; I94-L107 VanDerWaalsContact CG2-CD1 3.47Å; L107-F114 HydrophobicContact CB-CB 3.82Å; L107-F114 HydrophobicContact CB-CD1 4.25Å; L107-F114 HydrophobicContact CD2-CB 3.8Å; L107-F114 HydrophobicContact CG-CB 4.44Å; L107-A116 HydrophobicContact CD1-CB 4.25Å; L107-A116 HydrophobicContact CG-CB 4Å; L107-F129 HydrophobicContact CD2-CD1 4.27Å; L107-F129 HydrophobicContact CD2-CE1 3.83Å |
| 108 | I | 96.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 76.5 Ų | 76.5 | 70% | 0.697 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 121.8 | 176.3 | -57.1 | 175 | 0 | 0 | 0 | 108.1 | S110 F114 V115 | I108-S110 PolarHBondContact O-N 2.92Å; I108-F114 WeakPolarHBondContact O-CA 3.28Å; I108-V115 PolarHBondContact N-O 2.94Å; I108-V115 PolarHBondContact O-N 2.86Å |
| 109 | K | 95.2 | Very high | 94.3 | Very high | 130 Ų | 130 | 79.2 Ų | 79.2 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 120.7 | 176.5 | -171.8 | 169.3 | -173.2 | 162.6 | 0 | 110.7 | G89 F114 | G89-K109 PolarHBondContact O-NZ 3.22Å; K109-F114 HydrophobicContact CB-CD1 3.84Å; K109-F114 HydrophobicContact CB-CE1 3.55Å; K109-F114 HydrophobicContact CB-CZ 4.12Å; K109-F114 HydrophobicContact CD-CE1 3.81Å; K109-F114 HydrophobicContact CD-CE2 4.28Å; K109-F114 HydrophobicContact CD-CZ 3.53Å; K109-F114 HydrophobicContact CG-CD1 4.21Å; K109-F114 HydrophobicContact CG-CE1 3.72Å; K109-F114 HydrophobicContact CG-CE2 4.24Å; K109-F114 HydrophobicContact CG-CZ 3.74Å |
| 110 | S | 89.6 | Confident | 94.4 | Very high | 71 Ų | 71 | 78.3 Ų | 78.3 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | trans | -94 | -167.2 | 164.4 | -169.7 | 0 | 0 | 0 | 0 | 110 | I108 D113 | I108-S110 PolarHBondContact O-N 2.92Å; S110-D113 WeakPolarHBondContact CA-O 3.34Å; S110-D113 VanDerWaalsContact CB-O 3.26Å; S110-D113 WeakPolarHBondContact CB-O 3.3Å; S110-D113 PolarHBondContact N-O 2.87Å | ||
| 111 | H | 85.1 | Confident | 94.4 | Very high | 193 Ų | 193 | 73.5 Ų | 73.5 | 89% | 0.894 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -61.6 | -46.9 | -179.4 | -68.5 | -62.7 | 0 | 0 | 0 | 112.8 | ||
| 112 | N | 87.9 | Confident | 94.4 | Very high | 125 Ų | 125 | 73.5 Ų | 73.5 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -121.3 | -19.4 | -176.6 | -154.8 | 67 | 0 | 0 | 0 | 113.4 | ||
| 113 | D | 93.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 70.6 Ų | 70.6 | 17% | 0.166 | 38% | 0.379 | C | S | . | . | trans | -124.3 | 155.7 | -169.9 | -56.1 | -9.8 | 0 | 0 | 0 | 110.5 | R84 W85 S110 V115 | R84-D113 WeakPolarHBondContact CD-OD2 3.29Å; R84-D113 HydrophobicContact CG-CB 4.03Å; R84-D113 IonicContact CZ-OD2 2.73Å; R84-D113 IonicContact NE-OD2 3.47Å; R84-D113 IonicContact NH1-OD2 3.77Å; R84-D113 PolarHBondContact NH1-OD2 3.46Å; W85-D113 CarbonylContact O-C 3.02Å; W85-D113 WeakPolarHBondContact O-CA 3.38Å; S110-D113 WeakPolarHBondContact CA-O 3.34Å; S110-D113 VanDerWaalsContact CB-O 3.26Å; S110-D113 WeakPolarHBondContact CB-O 3.3Å; S110-D113 PolarHBondContact N-O 2.87Å; D113-V115 HydrophobicContact CB-CG2 4.48Å | ||
| 114 | F | 97 | Very high | 94.6 | Very high | 6 Ų | 6 | 72.9 Ų | 72.9 | 3% | 0.026 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.5 | 167.4 | -73.5 | -98 | 0 | 0 | 0 | 108.6 | R84 W85 G89 V92 L107 I108 K109 | R84-F114 CarbonylContact C-O 3.54Å; R84-F114 WeakPolarHBondContact CA-O 3.12Å; W85-F114 HydrophobicContact CB-CB 4.15Å; W85-F114 PolarHBondContact N-O 3.03Å; W85-F114 PolarHBondContact O-N 2.81Å; G89-F114 VanDerWaalsContact O-CZ 3.28Å; G89-F114 WeakPolarHBondContact O-CZ 3.49Å; V92-F114 HydrophobicContact CB-CB 4.2Å; V92-F114 HydrophobicContact CB-CD1 3.65Å; V92-F114 HydrophobicContact CB-CD2 4.4Å; V92-F114 HydrophobicContact CB-CE1 4Å; V92-F114 HydrophobicContact CB-CG 3.85Å; V92-F114 HydrophobicContact CG1-CB 4.21Å; V92-F114 HydrophobicContact CG1-CG 4.36Å; V92-F114 HydrophobicContact CG2-CB 4.37Å; V92-F114 HydrophobicContact CG2-CD1 3.68Å; V92-F114 HydrophobicContact CG2-CD2 3.7Å; V92-F114 HydrophobicContact CG2-CE1 3.69Å; V92-F114 HydrophobicContact CG2-CE2 3.73Å; V92-F114 HydrophobicContact CG2-CG 3.66Å; V92-F114 HydrophobicContact CG2-CZ 3.7Å; L107-F114 HydrophobicContact CB-CB 3.82Å; L107-F114 HydrophobicContact CB-CD1 4.25Å; L107-F114 HydrophobicContact CD2-CB 3.8Å; L107-F114 HydrophobicContact CG-CB 4.44Å; I108-F114 WeakPolarHBondContact O-CA 3.28Å; K109-F114 HydrophobicContact CB-CD1 3.84Å; K109-F114 HydrophobicContact CB-CE1 3.55Å; K109-F114 HydrophobicContact CB-CZ 4.12Å; K109-F114 HydrophobicContact CD-CE1 3.81Å; K109-F114 HydrophobicContact CD-CE2 4.28Å; K109-F114 HydrophobicContact CD-CZ 3.53Å; K109-F114 HydrophobicContact CG-CD1 4.21Å; K109-F114 HydrophobicContact CG-CE1 3.72Å; K109-F114 HydrophobicContact CG-CE2 4.24Å; K109-F114 HydrophobicContact CG-CZ 3.74Å |
| 115 | V | 96.8 | Very high | 94.6 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.1 | -173.8 | -175.7 | 0 | 0 | 0 | 0 | 111.5 | V82 I83 R84 I108 D113 | V82-V115 HydrophobicContact CG1-CG1 3.82Å; I83-V115 WeakPolarHBondContact O-CA 3.28Å; R84-V115 HydrophobicContact CG-CG2 4.1Å; I108-V115 PolarHBondContact N-O 2.94Å; I108-V115 PolarHBondContact O-N 2.86Å; D113-V115 HydrophobicContact CB-CG2 4.48Å |
| 116 | A | 96 | Very high | 94.6 | Very high | 9 Ų | 9 | 69.9 Ų | 69.9 | 7% | 0.074 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I83 L107 L118 | I83-A116 PolarHBondContact N-O 2.88Å; I83-A116 PolarHBondContact O-N 2.82Å; L107-A116 HydrophobicContact CD1-CB 4.25Å; L107-A116 HydrophobicContact CG-CB 4Å; A116-L118 HydrophobicContact CB-CG 4.37Å |
| 117 | I | 96.3 | Very high | 94.6 | Very high | 116 Ų | 116 | 66.1 Ų | 66.1 | 60% | 0.595 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 115.4 | 170.1 | -54.9 | 179.2 | 0 | 0 | 0 | 106.2 | P80 T81 V82 | P80-I117 HydrophobicContact CB-CG2 3.98Å; T81-I117 WeakPolarHBondContact O-CA 3.34Å; V82-I117 HydrophobicContact CG2-CG1 4.35Å |
| 118 | L | 95.7 | Very high | 94.6 | Very high | 23 Ų | 23 | 66.6 Ų | 66.6 | 12% | 0.12 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.5 | -176.6 | -59.3 | 179.5 | 0 | 0 | 0 | 109.6 | T81 I83 I94 F98 I105 A116 L120 | T81-L118 WeakPolarHBondContact CB-O 3.34Å; T81-L118 PolarHBondContact N-O 2.85Å; T81-L118 PolarHBondContact O-N 2.84Å; I83-L118 HydrophobicContact CD1-CD1 4.03Å; I94-L118 HydrophobicContact CG2-CD1 4.45Å; F98-L118 HydrophobicContact CD2-CD1 4.3Å; F98-L118 HydrophobicContact CE1-CD1 4.13Å; F98-L118 HydrophobicContact CE2-CD1 3.59Å; F98-L118 HydrophobicContact CZ-CD1 3.48Å; F98-L118 VanDerWaalsContact CZ-CD1 3.48Å; I105-L118 HydrophobicContact CD1-CD1 4.37Å; I105-L118 HydrophobicContact CD1-CD2 3.99Å; I105-L118 HydrophobicContact CG2-CD2 4.35Å; A116-L118 HydrophobicContact CB-CG 4.37Å; L118-L120 HydrophobicContact CB-CD2 4.05Å; L118-L120 HydrophobicContact CB-CG 4.22Å; L118-L120 PolarHBondContact O-N 3.09Å |
| 119 | D | 95.4 | Very high | 94.7 | Very high | 112 Ų | 112 | 60.1 Ų | 60.1 | 60% | 0.599 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 108.4 | 172.1 | -67.7 | -36.3 | 0 | 0 | 0 | 109.4 | A78 R79 P80 | A78-D119 HydrophobicContact CB-CB 3.85Å; R79-D119 CarbonylContact O-C 3.58Å; R79-D119 WeakPolarHBondContact O-CA 3.38Å; P80-D119 VanDerWaalsContact CA-OD1 3.29Å; P80-D119 WeakPolarHBondContact CA-OD1 3.41Å |
| 120 | L | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.7 | -178.1 | -58.2 | -174.2 | 0 | 0 | 0 | 110.5 | A78 R79 T81 F98 L118 H125 I155 V157 | A78-L120 WeakPolarHBondContact CA-O 3.42Å; R79-L120 PolarHBondContact N-O 3.32Å; R79-L120 PolarHBondContact O-N 3.39Å; T81-L120 HydrophobicContact CG2-CD1 4.06Å; F98-L120 HydrophobicContact CB-CD2 3.52Å; F98-L120 HydrophobicContact CD1-CD1 4.42Å; F98-L120 HydrophobicContact CD1-CD2 3.67Å; F98-L120 HydrophobicContact CD2-CD2 4.27Å; F98-L120 HydrophobicContact CE1-CD2 4.47Å; F98-L120 HydrophobicContact CG-CD2 3.55Å; L118-L120 HydrophobicContact CB-CD2 4.05Å; L118-L120 HydrophobicContact CB-CG 4.22Å; L118-L120 PolarHBondContact O-N 3.09Å; L120-H125 HydrophobicContact CD1-CB 4.4Å; L120-I155 HydrophobicContact CD1-CG2 4.47Å; L120-V157 HydrophobicContact CB-CG2 4.11Å; L120-V157 HydrophobicContact CD1-CG2 4.3Å |
| 121 | P | 94.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 53 Ų | 53 | 26% | 0.26 | 28% | 0.275 | S | S | . | . | trans | -67.7 | 159.4 | 173 | 29.4 | -33.7 | 0 | 0 | 0 | 111 | Q76 G123 H125 | Q76-P121 HydrophobicContact CB-CB 4.19Å; P121-G123 PolarHBondContact O-N 3.36Å; P121-H125 PolarHBondContact O-NE2 2.82Å | ||
| 122 | E | 94.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 47.8 Ų | 47.8 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -55.9 | 133.8 | 173.9 | -175.6 | 173.5 | -169.7 | 0 | 0 | 111 | V157 K159 | E122-V157 WeakPolarHBondContact CA-O 3.26Å; E122-V157 VanDerWaalsContact CG-O 3.3Å; E122-V157 WeakPolarHBondContact CG-O 3.45Å; E122-K159 PolarHBondContact OE1-N 2.96Å |
| 123 | G | 94.7 | Very high | 96 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.3 | -166.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P121 V157 | P121-G123 PolarHBondContact O-N 3.36Å; G123-V157 PolarHBondContact N-O 2.97Å; G123-V157 PolarHBondContact O-N 3.39Å |
| 124 | E | 95.9 | Very high | 96.1 | Very high | 128 Ų | 128 | 48.6 Ų | 48.6 | 60% | 0.598 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.8 | -179.2 | -70.5 | -171.5 | 176.9 | 0 | 0 | 111.3 | L154 H156 | E124-L154 HydrophobicContact CB-CD1 4.05Å; E124-L154 HydrophobicContact CG-CD1 4.46Å; E124-H156 VanDerWaalsContact CD-NE2 3.27Å; E124-H156 WeakPolarHBondContact CG-CD2 3.38Å; E124-H156 VanDerWaalsContact CG-NE2 3.32Å; E124-H156 WeakPolarHBondContact CG-NE2 3.25Å; E124-H156 IonicContact OE1-CD2 3.9Å; E124-H156 PolarHBondContact OE1-CD2 3.45Å; E124-H156 IonicContact OE1-CE1 2.88Å; E124-H156 IonicContact OE1-NE2 3.75Å; E124-H156 PolarHBondContact OE1-NE2 3.48Å |
| 125 | H | 96.3 | Very high | 96.1 | Very high | 17 Ų | 17 | 53.6 Ų | 53.6 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.5 | 175.7 | -61 | -79.1 | 0 | 0 | 0 | 110.8 | S97 F98 L120 P121 I155 | S97-H125 WeakPolarHBondContact OG-CA 3.45Å; F98-H125 HydrophobicContact CD1-CB 4.48Å; L120-H125 HydrophobicContact CD1-CB 4.4Å; P121-H125 PolarHBondContact O-NE2 2.82Å; H125-I155 HydrophobicContact CB-CG2 3.83Å; H125-I155 PolarHBondContact N-O 3.4Å; H125-I155 PolarHBondContact O-N 3.08Å |
| 126 | Q | 96.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 54 Ų | 54 | 28% | 0.276 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.3 | 172.9 | -65.1 | -176.3 | 24.7 | 0 | 0 | 109.5 | G96 S97 W101 V144 N152 N153 L154 | G96-Q126 CarbonylContact C-O 3.49Å; G96-Q126 WeakPolarHBondContact CA-O 3.36Å; S97-Q126 PolarHBondContact N-O 2.97Å; S97-Q126 PolarHBondContact OG-N 3.28Å; S97-Q126 VanDerWaalsContact OG-N 3.1Å; S97-Q126 PolarHBondContact OG-O 2.86Å; W101-Q126 HydrophobicContact CH2-CB 4.49Å; W101-Q126 HydrophobicContact CZ2-CB 3.89Å; Q126-V144 HydrophobicContact CG-CG1 3.72Å; Q126-N152 HydrophobicContact CB-CB 4.32Å; Q126-N152 PolarHBondContact OE1-ND2 3.06Å; Q126-N153 CarbonylContact C-O 3.55Å; Q126-N153 VanDerWaalsContact CA-O 3.29Å; Q126-N153 WeakPolarHBondContact CA-O 3.48Å; Q126-L154 HydrophobicContact CG-CD1 4.15Å |
| 127 | Y | 97.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 2% | 0.02 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 163.6 | 178.7 | 69.1 | -83.8 | 0 | 0 | 0 | 112 | I83 I94 S95 F129 N153 I155 | I83-Y127 HydrophobicContact CG2-CD2 4.29Å; I83-Y127 HydrophobicContact CG2-CE2 3.83Å; I94-Y127 HydrophobicContact CD1-CD2 3.59Å; I94-Y127 HydrophobicContact CD1-CE2 4.33Å; I94-Y127 HydrophobicContact CD1-CG 4.1Å; I94-Y127 HydrophobicContact CG1-CD2 4.18Å; S95-Y127 CarbonylContact O-C 3.29Å; S95-Y127 VanDerWaalsContact O-CA 3.31Å; S95-Y127 WeakPolarHBondContact O-CA 3.4Å; Y127-F129 HydrophobicContact CD2-CE2 4.13Å; Y127-F129 HydrophobicContact CD2-CZ 4.23Å; Y127-F129 HydrophobicContact CE2-CD2 4.41Å; Y127-F129 AromaticContact CE2-CE2 3.55Å; Y127-F129 HydrophobicContact CE2-CE2 3.55Å; Y127-F129 AromaticContact CE2-CZ 3.69Å; Y127-F129 HydrophobicContact CE2-CZ 3.69Å; Y127-N153 HydrophobicContact CD1-CB 3.88Å; Y127-N153 HydrophobicContact CD2-CB 3.98Å; Y127-N153 HydrophobicContact CE1-CB 3.41Å; Y127-N153 VanDerWaalsContact CE1-CB 3.41Å; Y127-N153 HydrophobicContact CE2-CB 3.54Å; Y127-N153 HydrophobicContact CG-CB 4.15Å; Y127-N153 PolarHBondContact N-O 3.36Å; Y127-N153 PolarHBondContact O-N 3.4Å; Y127-I155 HydrophobicContact CD1-CG2 4.05Å; Y127-I155 HydrophobicContact CE1-CB 3.98Å; Y127-I155 HydrophobicContact CE1-CG2 3.99Å |
| 128 | K | 97.2 | Very high | 96.1 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.4 | 176.7 | -159 | 169.2 | -172 | 160.5 | 0 | 110.9 | S95 W101 W135 V136 T150 I151 | S95-K128 PolarHBondContact N-O 3.1Å; S95-K128 VanDerWaalsContact N-O 3.11Å; S95-K128 PolarHBondContact O-N 2.95Å; W101-K128 HydrophobicContact CH2-CB 4.15Å; W101-K128 HydrophobicContact CZ3-CB 3.75Å; K128-W135 HydrophobicContact CB-CE3 3.96Å; K128-W135 HydrophobicContact CB-CZ3 4.08Å; K128-W135 HydrophobicContact CD-CB 4.24Å; K128-W135 HydrophobicContact CD-CE3 4Å; K128-W135 HydrophobicContact CG-CE3 3.87Å; K128-W135 HydrophobicContact CG-CZ3 4.48Å; K128-V136 WeakPolarHBondContact CG-O 3.44Å; K128-T150 HydrophobicContact CD-CG2 4.49Å; K128-I151 VanDerWaalsContact CE-O 3.28Å; K128-I151 WeakPolarHBondContact CE-O 3.29Å; K128-I151 PolarHBondContact NZ-O 3.36Å |
| 129 | F | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 143.2 | 177.4 | -62.5 | -79.4 | 0 | 0 | 0 | 111.3 | I83 W85 V92 F93 I94 L107 Y127 V131 W135 V136 D138 | I83-F129 HydrophobicContact CG2-CE1 4.07Å; I83-F129 HydrophobicContact CG2-CZ 3.72Å; W85-F129 HydrophobicContact CB-CD1 4.2Å; W85-F129 HydrophobicContact CB-CE1 3.86Å; W85-F129 HydrophobicContact CB-CZ 4.12Å; W85-F129 HydrophobicContact CD2-CD2 4.37Å; W85-F129 HydrophobicContact CD2-CG 4.28Å; W85-F129 HydrophobicContact CE3-CB 4.31Å; W85-F129 HydrophobicContact CE3-CD1 4.28Å; W85-F129 AromaticContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CD2 3.43Å; W85-F129 VanDerWaalsContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CE1 4.48Å; W85-F129 AromaticContact CE3-CE2 3.65Å; W85-F129 HydrophobicContact CE3-CE2 3.65Å; W85-F129 AromaticContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CZ 4.18Å; W85-F129 HydrophobicContact CZ3-CB 4.46Å; W85-F129 AromaticContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CE2 4.24Å; W85-F129 HydrophobicContact CZ3-CG 4.23Å; V92-F129 HydrophobicContact CG1-CD1 4.25Å; F93-F129 CarbonylContact O-C 3.6Å; F93-F129 WeakPolarHBondContact O-CA 3.48Å; I94-F129 HydrophobicContact CB-CD1 4.37Å; I94-F129 HydrophobicContact CD1-CE1 4.13Å; L107-F129 HydrophobicContact CD2-CD1 4.27Å; L107-F129 HydrophobicContact CD2-CE1 3.83Å; Y127-F129 HydrophobicContact CD2-CE2 4.13Å; Y127-F129 HydrophobicContact CD2-CZ 4.23Å; Y127-F129 HydrophobicContact CE2-CD2 4.41Å; Y127-F129 AromaticContact CE2-CE2 3.55Å; Y127-F129 HydrophobicContact CE2-CE2 3.55Å; Y127-F129 AromaticContact CE2-CZ 3.69Å; Y127-F129 HydrophobicContact CE2-CZ 3.69Å; F129-V131 HydrophobicContact CB-CG2 4.03Å; F129-W135 WeakPolarHBondContact O-CA 3.47Å; F129-V136 HydrophobicContact CB-CG2 4.04Å; F129-V136 PolarHBondContact N-O 2.73Å; F129-V136 PolarHBondContact O-N 2.95Å; F129-V136 VanDerWaalsContact O-O 3.08Å; F129-D138 HydrophobicContact CE2-CB 4.01Å |
| 130 | F | 97.6 | Very high | 96.1 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 15% | 0.149 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 102.2 | 169.3 | -173.1 | -97.6 | 0 | 0 | 0 | 107.9 | F93 K104 G133 Q134 W135 | F93-F130 HydrophobicContact CB-CB 4.29Å; F93-F130 HydrophobicContact CD2-CD1 4.02Å; F93-F130 PolarHBondContact N-O 3.21Å; F93-F130 PolarHBondContact O-N 3.1Å; K104-F130 HydrophobicContact CD-CB 4.4Å; K104-F130 HydrophobicContact CD-CD1 3.85Å; K104-F130 HydrophobicContact CD-CE1 4.3Å; K104-F130 HydrophobicContact CD-CG 4.08Å; F130-G133 VanDerWaalsContact CE2-C 3.47Å; F130-G133 VanDerWaalsContact CE2-O 3.31Å; F130-G133 WeakPolarHBondContact CE2-O 3.42Å; F130-G133 WeakPolarHBondContact CZ-O 3.29Å; F130-Q134 CarbonylContact C-O 3.56Å; F130-Q134 WeakPolarHBondContact CA-O 3.31Å; F130-W135 HydrophobicContact CB-CD2 4.35Å; F130-W135 HydrophobicContact CB-CE3 4.04Å; F130-W135 HydrophobicContact CB-CH2 4.25Å; F130-W135 HydrophobicContact CB-CZ3 3.99Å; F130-W135 AromaticContact CD2-CD1 3.94Å; F130-W135 AromaticContact CD2-CD2 3.74Å; F130-W135 HydrophobicContact CD2-CD2 3.74Å; F130-W135 AromaticContact CD2-CE2 3.61Å; F130-W135 HydrophobicContact CD2-CE3 4.29Å; F130-W135 AromaticContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CZ2 4.09Å; F130-W135 AromaticContact CD2-NE1 3.73Å; F130-W135 AromaticContact CE2-NE1 3.95Å |
| 131 | V | 97.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.8 | -172.5 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | W85 E91 V92 F129 G133 Q134 V136 | W85-V131 HydrophobicContact CD2-CG2 4.42Å; W85-V131 HydrophobicContact CZ2-CG2 3.8Å; E91-V131 WeakPolarHBondContact O-CA 3.26Å; V92-V131 HydrophobicContact CG1-CG2 4.06Å; V92-V131 HydrophobicContact CG2-CG1 4.19Å; V92-V131 HydrophobicContact CG2-CG2 4.19Å; F129-V131 HydrophobicContact CB-CG2 4.03Å; V131-G133 PolarHBondContact O-N 3.14Å; V131-Q134 PolarHBondContact N-O 2.95Å; V131-Q134 PolarHBondContact O-N 2.79Å; V131-V136 HydrophobicContact CB-CG2 3.95Å; V131-V136 HydrophobicContact CG2-CG2 3.52Å |
| 132 | D | 95.6 | Very high | 96.2 | Very high | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 36.4 | 175.1 | -63.5 | -19.2 | 0 | 0 | 0 | 114 | K90 E91 | K90-D132 WeakPolarHBondContact CA-OD1 3.4Å; K90-D132 VanDerWaalsContact CB-OD1 3.31Å; K90-D132 WeakPolarHBondContact CB-OD1 3.35Å; K90-D132 PolarHBondContact N-OD1 3.11Å; K90-D132 PolarHBondContact N-OD2 2.88Å; E91-D132 PolarHBondContact N-OD1 2.68Å; E91-D132 PolarHBondContact O-N 3.26Å |
| 133 | G | 94.9 | Very high | 96.4 | Very high | 40 Ų | 40 | 58.6 Ų | 58.6 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | -3.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | F130 V131 | F130-G133 VanDerWaalsContact CE2-C 3.47Å; F130-G133 VanDerWaalsContact CE2-O 3.31Å; F130-G133 WeakPolarHBondContact CE2-O 3.42Å; F130-G133 WeakPolarHBondContact CZ-O 3.29Å; V131-G133 PolarHBondContact O-N 3.14Å |
| 134 | Q | 96 | Very high | 96.5 | Very high | 134 Ų | 134 | 59.3 Ų | 59.3 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 142.5 | -174.8 | -62.5 | -61 | -34.8 | 0 | 0 | 112.5 | F130 V131 V136 | F130-Q134 CarbonylContact C-O 3.56Å; F130-Q134 WeakPolarHBondContact CA-O 3.31Å; V131-Q134 PolarHBondContact N-O 2.95Å; V131-Q134 PolarHBondContact O-N 2.79Å; Q134-V136 HydrophobicContact CB-CG1 4.47Å |
| 135 | W | 96.1 | Very high | 96.4 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 114.8 | 173.9 | -75.3 | 106.7 | 0 | 0 | 0 | 110.7 | K128 F129 F130 | K128-W135 HydrophobicContact CB-CE3 3.96Å; K128-W135 HydrophobicContact CB-CZ3 4.08Å; K128-W135 HydrophobicContact CD-CB 4.24Å; K128-W135 HydrophobicContact CD-CE3 4Å; K128-W135 HydrophobicContact CG-CE3 3.87Å; K128-W135 HydrophobicContact CG-CZ3 4.48Å; F129-W135 WeakPolarHBondContact O-CA 3.47Å; F130-W135 HydrophobicContact CB-CD2 4.35Å; F130-W135 HydrophobicContact CB-CE3 4.04Å; F130-W135 HydrophobicContact CB-CH2 4.25Å; F130-W135 HydrophobicContact CB-CZ3 3.99Å; F130-W135 AromaticContact CD2-CD1 3.94Å; F130-W135 AromaticContact CD2-CD2 3.74Å; F130-W135 HydrophobicContact CD2-CD2 3.74Å; F130-W135 AromaticContact CD2-CE2 3.61Å; F130-W135 HydrophobicContact CD2-CE3 4.29Å; F130-W135 AromaticContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CZ2 4.09Å; F130-W135 AromaticContact CD2-NE1 3.73Å; F130-W135 AromaticContact CE2-NE1 3.95Å |
| 136 | V | 96.8 | Very high | 96.1 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 160.2 | -178.4 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | W85 K128 F129 V131 Q134 | W85-V136 HydrophobicContact CH2-CB 4.28Å; W85-V136 HydrophobicContact CH2-CG2 3.52Å; W85-V136 HydrophobicContact CZ2-CG2 3.89Å; W85-V136 HydrophobicContact CZ3-CG2 4.17Å; K128-V136 WeakPolarHBondContact CG-O 3.44Å; F129-V136 HydrophobicContact CB-CG2 4.04Å; F129-V136 PolarHBondContact N-O 2.73Å; F129-V136 PolarHBondContact O-N 2.95Å; F129-V136 VanDerWaalsContact O-O 3.08Å; V131-V136 HydrophobicContact CB-CG2 3.95Å; V131-V136 HydrophobicContact CG2-CG2 3.52Å; Q134-V136 HydrophobicContact CB-CG1 4.47Å |
| 137 | H | 96.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 29% | 0.292 | 36% | 0.363 | S | S | . | . | trans | -120.1 | 155.9 | 173.9 | 69.4 | -82.7 | 0 | 0 | 0 | 108.1 | P139 N153 | H137-P139 WeakPolarHBondContact O-CD 3.46Å; H137-N153 VanDerWaalsContact CA-OD1 3.29Å; H137-N153 WeakPolarHBondContact CA-OD1 3.42Å; H137-N153 VanDerWaalsContact CB-OD1 3.3Å; H137-N153 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 138 | D | 96.6 | Very high | 94.9 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.064 | 40% | 0.402 | C | S | . | . | trans | -78.3 | 119.6 | 173.4 | -170.3 | -32.3 | 0 | 0 | 0 | 109.4 | W85 F129 S140 E141 N153 | W85-D138 HydrophobicContact CE3-CB 4.27Å; W85-D138 HydrophobicContact CZ3-CB 4.09Å; F129-D138 HydrophobicContact CE2-CB 4.01Å; D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.81Å; D138-S140 WeakPolarHBondContact OD1-CB 3.02Å; D138-S140 PolarHBondContact OD1-N 2.93Å; D138-S140 PolarHBondContact OD1-OG 2.77Å; D138-S140 PolarHBondContact OD2-OG 3.16Å; D138-E141 HydrophobicContact CB-CB 4.27Å; D138-E141 HydrophobicContact CB-CG 4.22Å; D138-N153 PolarHBondContact N-OD1 3.47Å; D138-N153 PolarHBondContact O-ND2 2.91Å | ||
| 139 | P | 95 | Very high | 94.5 | Very high | 97 Ų | 97 | 75 Ų | 75 | 63% | 0.63 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -16.6 | 179.3 | -17.4 | 32.4 | 0 | 0 | 0 | 114.4 | H137 | H137-P139 WeakPolarHBondContact O-CD 3.46Š|
| 140 | S | 95 | Very high | 94.2 | Very high | 94 Ų | 94 | 77.8 Ų | 77.8 | 66% | 0.657 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -18.8 | 179.9 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | D138 | D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.81Å; D138-S140 WeakPolarHBondContact OD1-CB 3.02Å; D138-S140 PolarHBondContact OD1-N 2.93Å; D138-S140 PolarHBondContact OD1-OG 2.77Å; D138-S140 PolarHBondContact OD2-OG 3.16Å |
| 141 | E | 96.2 | Very high | 94.2 | Very high | 87 Ų | 87 | 79.5 Ų | 79.5 | 41% | 0.407 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -100.9 | 153.8 | -178 | -67.2 | -63.9 | 149 | 0 | 0 | 111.8 | D138 | D138-E141 HydrophobicContact CB-CB 4.27Å; D138-E141 HydrophobicContact CB-CG 4.22Å |
| 142 | P | 96.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 79 Ų | 79 | 49% | 0.494 | 45% | 0.448 | S | S | . | . | trans | -55.7 | 144.7 | 175.9 | -24.8 | 34.6 | 0 | 0 | 0 | 112.9 | N153 L154 | P142-N153 CarbonylContact O-C 3.54Å; P142-N153 VanDerWaalsContact O-CA 3.3Å; P142-N153 WeakPolarHBondContact O-CA 3.3Å; P142-N153 PolarHBondContact O-ND2 2.96Å; P142-L154 PolarHBondContact O-N 3.16Å | ||
| 143 | V | 97.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 75 Ų | 75 | 44% | 0.436 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 152.4 | -179.9 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | I151 N152 | V143-I151 HydrophobicContact CB-CG2 3.9Å; V143-I151 HydrophobicContact CG1-CG2 4.11Å; V143-I151 HydrophobicContact CG2-CG2 4.29Å; V143-N152 CarbonylContact C-O 3.6Å; V143-N152 VanDerWaalsContact CA-O 3.26Å; V143-N152 WeakPolarHBondContact CA-O 3.48Å; V143-N152 WeakPolarHBondContact CB-O 3.39Å |
| 144 | V | 96.8 | Very high | 94.4 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 27% | 0.267 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142 | 171.9 | 65.5 | 0 | 0 | 0 | 0 | 109.9 | Q126 N152 L154 | Q126-V144 HydrophobicContact CG-CG1 3.72Å; V144-N152 PolarHBondContact N-O 3Å; V144-N152 PolarHBondContact O-N 3.04Å; V144-L154 HydrophobicContact CB-CB 4.48Å; V144-L154 HydrophobicContact CB-CD2 4.4Å; V144-L154 HydrophobicContact CG1-CB 4.2Å |
| 145 | T | 95.5 | Very high | 94.4 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 58% | 0.583 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.7 | 174.3 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 146 | S | 88.7 | Confident | 94.3 | Very high | 37 Ų | 37 | 68.4 Ų | 68.4 | 26% | 0.259 | 39% | 0.391 | S | S | . | . | trans | -67.7 | 159.2 | 175.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | M148 G149 T150 | S146-M148 PolarHBondContact O-N 3.26Å; S146-G149 PolarHBondContact O-N 3.38Å; S146-T150 WeakPolarHBondContact CB-O 3.49Å; S146-T150 PolarHBondContact N-O 3.09Å | ||
| 147 | Q | 85.1 | Confident | 94.2 | Very high | 207 Ų | 207 | 66.4 Ų | 66.4 | 97% | 0.967 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.9 | 178.1 | -62.5 | 178.3 | 6.7 | 0 | 0 | 113 | G149 | Q147-G149 VanDerWaalsContact C-N 3.28Å; Q147-G149 PolarHBondContact O-N 2.97Å |
| 148 | M | 84.4 | Confident | 94 | Very high | 170 Ų | 170 | 68.4 Ų | 68.4 | 84% | 0.837 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.2 | 176.9 | -60.8 | 178.9 | 66.8 | 0 | 0 | 113.6 | S146 T150 | S146-M148 PolarHBondContact O-N 3.26Å; M148-T150 VanDerWaalsContact C-N 3.33Å |
| 149 | G | 88.8 | Confident | 93.7 | Very high | 55 Ų | 55 | 74.4 Ų | 74.4 | 57% | 0.567 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 84.1 | 0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S146 Q147 | S146-G149 PolarHBondContact O-N 3.38Å; Q147-G149 VanDerWaalsContact C-N 3.28Å; Q147-G149 PolarHBondContact O-N 2.97Å |
| 150 | T | 92.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 70.9 Ų | 70.9 | 36% | 0.362 | 39% | 0.39 | S | S | . | . | trans | -78.8 | 129.9 | 179.2 | -40.5 | 0 | 0 | 0 | 0 | 111 | K128 S146 M148 | K128-T150 HydrophobicContact CD-CG2 4.49Å; S146-T150 WeakPolarHBondContact CB-O 3.49Å; S146-T150 PolarHBondContact N-O 3.09Å; M148-T150 VanDerWaalsContact C-N 3.33Å | ||
| 151 | I | 96.3 | Very high | 93.1 | Very high | 69 Ų | 69 | 69.8 Ų | 69.8 | 35% | 0.354 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.7 | 171.7 | -55.9 | 173.3 | 0 | 0 | 0 | 109.1 | K128 V143 | K128-I151 VanDerWaalsContact CE-O 3.28Å; K128-I151 WeakPolarHBondContact CE-O 3.29Å; K128-I151 PolarHBondContact NZ-O 3.36Å; V143-I151 HydrophobicContact CB-CG2 3.9Å; V143-I151 HydrophobicContact CG1-CG2 4.11Å; V143-I151 HydrophobicContact CG2-CG2 4.29Å |
| 152 | N | 97 | Very high | 92.6 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.043 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.5 | 177.3 | -62.7 | -24.9 | 0 | 0 | 0 | 109.3 | W101 Q126 V143 V144 | W101-N152 HydrophobicContact CH2-CB 4.21Å; W101-N152 WeakPolarHBondContact CH2-ND2 3.32Å; W101-N152 WeakPolarHBondContact CZ2-ND2 3.39Å; Q126-N152 HydrophobicContact CB-CB 4.32Å; Q126-N152 PolarHBondContact OE1-ND2 3.06Å; V143-N152 CarbonylContact C-O 3.6Å; V143-N152 VanDerWaalsContact CA-O 3.26Å; V143-N152 WeakPolarHBondContact CA-O 3.48Å; V143-N152 WeakPolarHBondContact CB-O 3.39Å; V144-N152 PolarHBondContact N-O 3Å; V144-N152 PolarHBondContact O-N 3.04Å |
| 153 | N | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 152.6 | 167.3 | -68.2 | 107 | 0 | 0 | 0 | 110.4 | Q126 Y127 H137 D138 P142 | Q126-N153 CarbonylContact C-O 3.55Å; Q126-N153 VanDerWaalsContact CA-O 3.29Å; Q126-N153 WeakPolarHBondContact CA-O 3.48Å; Y127-N153 HydrophobicContact CD1-CB 3.88Å; Y127-N153 HydrophobicContact CD2-CB 3.98Å; Y127-N153 HydrophobicContact CE1-CB 3.41Å; Y127-N153 VanDerWaalsContact CE1-CB 3.41Å; Y127-N153 HydrophobicContact CE2-CB 3.54Å; Y127-N153 HydrophobicContact CG-CB 4.15Å; Y127-N153 PolarHBondContact N-O 3.36Å; Y127-N153 PolarHBondContact O-N 3.4Å; H137-N153 VanDerWaalsContact CA-OD1 3.29Å; H137-N153 WeakPolarHBondContact CA-OD1 3.42Å; H137-N153 VanDerWaalsContact CB-OD1 3.3Å; H137-N153 WeakPolarHBondContact CB-OD1 3.43Å; D138-N153 PolarHBondContact N-OD1 3.47Å; D138-N153 PolarHBondContact O-ND2 2.91Å; P142-N153 CarbonylContact O-C 3.54Å; P142-N153 VanDerWaalsContact O-CA 3.3Å; P142-N153 WeakPolarHBondContact O-CA 3.3Å; P142-N153 PolarHBondContact O-ND2 2.96Å |
| 154 | L | 97.1 | Very high | 92 | Very high | 24 Ų | 24 | 72 Ų | 72 | 13% | 0.126 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 128.7 | 179.9 | -179.9 | 63.8 | 0 | 0 | 0 | 109.2 | E124 Q126 P142 V144 H156 | E124-L154 HydrophobicContact CB-CD1 4.05Å; E124-L154 HydrophobicContact CG-CD1 4.46Å; Q126-L154 HydrophobicContact CG-CD1 4.15Å; P142-L154 PolarHBondContact O-N 3.16Å; V144-L154 HydrophobicContact CB-CB 4.48Å; V144-L154 HydrophobicContact CB-CD2 4.4Å; V144-L154 HydrophobicContact CG1-CB 4.2Å; L154-H156 VanDerWaalsContact CD2-CE1 3.48Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.2Å |
| 155 | I | 96.4 | Very high | 91.8 | Very high | 35 Ų | 35 | 78.1 Ų | 78.1 | 18% | 0.179 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.7 | 172.2 | -172.8 | 163.9 | 0 | 0 | 0 | 110.1 | T81 L120 H125 Y127 | T81-I155 HydrophobicContact CG2-CD1 3.51Å; L120-I155 HydrophobicContact CD1-CG2 4.47Å; H125-I155 HydrophobicContact CB-CG2 3.83Å; H125-I155 PolarHBondContact N-O 3.4Å; H125-I155 PolarHBondContact O-N 3.08Å; Y127-I155 HydrophobicContact CD1-CG2 4.05Å; Y127-I155 HydrophobicContact CE1-CB 3.98Å; Y127-I155 HydrophobicContact CE1-CG2 3.99Å |
| 156 | H | 95.4 | Very high | 91.6 | Very high | 85 Ų | 85 | 77.4 Ų | 77.4 | 39% | 0.394 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 109.3 | 174.8 | -69.3 | 80.2 | 0 | 0 | 0 | 109.1 | E124 L154 | E124-H156 VanDerWaalsContact CD-NE2 3.27Å; E124-H156 WeakPolarHBondContact CG-CD2 3.38Å; E124-H156 VanDerWaalsContact CG-NE2 3.32Å; E124-H156 WeakPolarHBondContact CG-NE2 3.25Å; E124-H156 IonicContact OE1-CD2 3.9Å; E124-H156 PolarHBondContact OE1-CD2 3.45Å; E124-H156 IonicContact OE1-CE1 2.88Å; E124-H156 IonicContact OE1-NE2 3.75Å; E124-H156 PolarHBondContact OE1-NE2 3.48Å; L154-H156 VanDerWaalsContact CD2-CE1 3.48Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.2Å |
| 157 | V | 94.9 | Very high | 91.8 | Very high | 6 Ų | 6 | 76.6 Ų | 76.6 | 4% | 0.036 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.1 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | T81 L120 E122 G123 F162 | T81-V157 HydrophobicContact CG2-CG2 4.18Å; L120-V157 HydrophobicContact CB-CG2 4.11Å; L120-V157 HydrophobicContact CD1-CG2 4.3Å; E122-V157 WeakPolarHBondContact CA-O 3.26Å; E122-V157 VanDerWaalsContact CG-O 3.3Å; E122-V157 WeakPolarHBondContact CG-O 3.45Å; G123-V157 PolarHBondContact N-O 2.97Å; G123-V157 PolarHBondContact O-N 3.39Å; V157-F162 HydrophobicContact CG1-CE2 3.72Å; V157-F162 HydrophobicContact CG1-CZ 3.8Å |
| 158 | K | 92 | Very high | 92.1 | Very high | 104 Ų | 104 | 71.7 Ų | 71.7 | 45% | 0.452 | 37% | 0.372 | S | S | . | . | trans | -105 | 158.9 | 179.7 | -61.2 | 173.8 | -176.3 | 166.3 | 0 | 111 | S160 D161 F162 | K158-S160 WeakPolarHBondContact CB-OG 3.33Å; K158-S160 PolarHBondContact O-N 3.33Å; K158-D161 WeakPolarHBondContact CB-OD2 3.34Å; K158-D161 PolarHBondContact N-OD2 2.83Å; K158-D161 PolarHBondContact O-N 3.14Å; K158-F162 WeakPolarHBondContact O-CD2 3.5Å; K158-F162 VanDerWaalsContact O-CE2 3.28Å; K158-F162 WeakPolarHBondContact O-CE2 3.19Å | ||
| 159 | K | 89.5 | Confident | 92.4 | Very high | 138 Ų | 138 | 70 Ų | 70 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -57.4 | -35.8 | 172.3 | -169.5 | 178.3 | 178.5 | -174.1 | 0 | 113.3 | R79 E122 D161 | R79-K159 PolarHBondContact NH1-O 2.8Å; E122-K159 PolarHBondContact OE1-N 2.96Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.06Å |
| 160 | S | 88.6 | Confident | 92.3 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -64 | -25.5 | -177.7 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | K158 F162 A167 | K158-S160 WeakPolarHBondContact CB-OG 3.33Å; K158-S160 PolarHBondContact O-N 3.33Å; S160-F162 PolarHBondContact O-N 3Å; S160-A167 PolarHBondContact O-N 3.22Å; S160-A167 VanDerWaalsContact O-N 3.14Å |
| 161 | D | 89 | Confident | 92.2 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -74.8 | -4.3 | -167.8 | -52.6 | -20.4 | 0 | 0 | 0 | 112.9 | K158 K159 | K158-D161 WeakPolarHBondContact CB-OD2 3.34Å; K158-D161 PolarHBondContact N-OD2 2.83Å; K158-D161 PolarHBondContact O-N 3.14Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.06Å |
| 162 | F | 85.4 | Confident | 91.8 | Very high | 65 Ų | 65 | 70.9 Ų | 70.9 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -32.2 | -173.7 | -63 | -86.8 | 0 | 0 | 0 | 112.8 | R79 V157 K158 S160 V164 | R79-F162 HydrophobicContact CB-CD1 3.87Å; R79-F162 HydrophobicContact CB-CE1 3.15Å; R79-F162 HydrophobicContact CB-CE2 3.88Å; R79-F162 HydrophobicContact CB-CZ 3.13Å; R79-F162 HydrophobicContact CG-CD1 4.41Å; R79-F162 HydrophobicContact CG-CE1 4.06Å; R79-F162 HydrophobicContact CG-CE2 4.14Å; R79-F162 HydrophobicContact CG-CZ 3.89Å; R79-F162 VanDerWaalsContact NH1-CG 3.33Å; V157-F162 HydrophobicContact CG1-CE2 3.72Å; V157-F162 HydrophobicContact CG1-CZ 3.8Å; K158-F162 WeakPolarHBondContact O-CD2 3.5Å; K158-F162 VanDerWaalsContact O-CE2 3.28Å; K158-F162 WeakPolarHBondContact O-CE2 3.19Å; S160-F162 PolarHBondContact O-N 3Å; F162-V164 PolarHBondContact O-N 3.32Å |
| 163 | E | 90.9 | Very high | 91.2 | Very high | 120 Ų | 120 | 75.2 Ų | 75.2 | 56% | 0.561 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -84.2 | 110.7 | 172 | -70.8 | -59.5 | 157.9 | 0 | 0 | 108 | F165 D166 A167 | E163-F165 PolarHBondContact O-N 3.35Å; E163-F165 VanDerWaalsContact O-N 3.07Å; E163-D166 HydrophobicContact CB-CB 4Å; E163-D166 WeakPolarHBondContact O-CA 3.41Å; E163-D166 PolarHBondContact O-N 3.27Å; E163-A167 PolarHBondContact O-N 3.18Å |
| 164 | V | 91.4 | Very high | 90.4 | Very high | 96 Ų | 96 | 81.9 Ų | 81.9 | 58% | 0.582 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -53.2 | -38.9 | -171.3 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | F162 L168 | F162-V164 PolarHBondContact O-N 3.32Å; V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.33Å; V164-L168 PolarHBondContact O-N 3.41Å |
| 165 | F | 91.8 | Very high | 89.4 | Confident | 173 Ų | 173 | 84.4 Ų | 84.4 | 76% | 0.759 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.5 | -34.7 | 178.5 | -64.3 | -64.9 | 0 | 0 | 0 | 113.2 | E163 K169 | E163-F165 PolarHBondContact O-N 3.35Å; E163-F165 VanDerWaalsContact O-N 3.07Å; F165-K169 VanDerWaalsContact O-CB 3.29Å; F165-K169 WeakPolarHBondContact O-CB 3.49Å; F165-K169 PolarHBondContact O-N 3.43Å |
| 166 | D | 92.1 | Very high | 88 | Confident | 80 Ų | 80 | 84.3 Ų | 84.3 | 43% | 0.428 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -73.8 | -42.4 | 177.9 | -70.8 | -20.9 | 0 | 0 | 0 | 110.6 | E163 K169 V170 | E163-D166 HydrophobicContact CB-CB 4Å; E163-D166 WeakPolarHBondContact O-CA 3.41Å; E163-D166 PolarHBondContact O-N 3.27Å; D166-K169 WeakPolarHBondContact O-CB 3.3Å; D166-K169 PolarHBondContact O-N 2.96Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.63Å |
| 167 | A | 92.1 | Very high | 86.2 | Confident | 20 Ų | 20 | 88.5 Ų | 88.5 | 17% | 0.165 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.7 | -52.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | S160 E163 K169 V170 D171 | S160-A167 PolarHBondContact O-N 3.22Å; S160-A167 VanDerWaalsContact O-N 3.14Å; E163-A167 PolarHBondContact O-N 3.18Å; A167-K169 PolarHBondContact O-N 2.9Å; A167-V170 PolarHBondContact O-N 3.32Å; A167-V170 VanDerWaalsContact O-N 3.09Å; A167-D171 PolarHBondContact O-N 2.53Å |
| 168 | L | 91.7 | Very high | 84.3 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.7 | -34.7 | 177.9 | -73.8 | 173.3 | 0 | 0 | 0 | 112.7 | V164 S172 | V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.33Å; V164-L168 PolarHBondContact O-N 3.41Å; L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.23Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 2.98Å |
| 169 | K | 89.3 | Confident | 82.3 | Confident | 135 Ų | 135 | 92.7 Ų | 92.7 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.2 | -45.7 | 176.3 | -178.3 | 179.7 | 176.9 | -175.5 | 0 | 111 | F165 D166 A167 S172 L173 | F165-K169 VanDerWaalsContact O-CB 3.29Å; F165-K169 WeakPolarHBondContact O-CB 3.49Å; F165-K169 PolarHBondContact O-N 3.43Å; D166-K169 WeakPolarHBondContact O-CB 3.3Å; D166-K169 PolarHBondContact O-N 2.96Å; A167-K169 PolarHBondContact O-N 2.9Å; K169-S172 PolarHBondContact O-N 3.13Å; K169-S172 PolarHBondContact O-OG 3.18Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.21Å |
| 170 | V | 88.6 | Confident | 80.5 | Confident | 53 Ų | 53 | 89.2 Ų | 89.2 | 32% | 0.321 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.1 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | D166 A167 S172 L173 E174 | D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.63Å; A167-V170 PolarHBondContact O-N 3.32Å; A167-V170 VanDerWaalsContact O-N 3.09Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.71Å; V170-L173 PolarHBondContact O-N 3.09Å; V170-L173 VanDerWaalsContact O-N 3.09Å; V170-E174 PolarHBondContact O-N 3.11Å; V170-E174 VanDerWaalsContact O-N 3.11Å |
| 171 | D | 88.6 | Confident | 78.8 | Confident | 88 Ų | 88 | 96.3 Ų | 96.3 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -37.6 | 179.8 | -65.1 | -8.7 | 0 | 0 | 0 | 112.3 | A167 L173 E174 S175 | A167-D171 PolarHBondContact O-N 2.53Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 2.94Å; D171-E174 PolarHBondContact O-N 3.39Å; D171-S175 WeakPolarHBondContact O-CB 3.45Å; D171-S175 PolarHBondContact O-N 3.08Å; D171-S175 VanDerWaalsContact O-N 3.08Å; D171-S175 PolarHBondContact O-OG 3.06Å |
| 172 | S | 88.3 | Confident | 77.1 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 42% | 0.42 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 177.4 | 75.1 | 0 | 0 | 0 | 0 | 112.6 | L168 K169 V170 S176 | L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.23Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 2.98Å; K169-S172 PolarHBondContact O-N 3.13Å; K169-S172 PolarHBondContact O-OG 3.18Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.71Å; S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.29Å |
| 173 | L | 84.3 | Confident | 75.5 | Confident | 99 Ų | 99 | 101.7 Ų | 101.7 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.2 | -43.3 | 178.5 | -68.2 | 171.8 | 0 | 0 | 0 | 110.9 | K169 V170 D171 S175 S176 E177 | K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.21Å; V170-L173 PolarHBondContact O-N 3.09Å; V170-L173 VanDerWaalsContact O-N 3.09Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 2.94Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.3Å; L173-S176 WeakPolarHBondContact CA-OG 3.42Å; L173-S176 WeakPolarHBondContact O-CA 3.5Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.07Å; L173-E177 PolarHBondContact O-N 2.73Å; L173-E177 VanDerWaalsContact O-N 3.13Å |
| 174 | E | 82 | Confident | 73.8 | Confident | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.7 | -40.4 | 176.6 | -171.4 | 173.5 | -178.3 | 0 | 0 | 111.7 | V170 D171 S176 | V170-E174 PolarHBondContact O-N 3.11Å; V170-E174 VanDerWaalsContact O-N 3.11Å; D171-E174 PolarHBondContact O-N 3.39Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 3.21Å |
| 175 | S | 75.4 | Confident | 72.1 | Confident | 77 Ų | 77 | 99.4 Ų | 99.4 | 54% | 0.538 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.2 | -29.8 | 173.7 | -59.2 | 0 | 0 | 0 | 0 | 112.8 | D171 L173 T178 S179 | D171-S175 WeakPolarHBondContact O-CB 3.45Å; D171-S175 PolarHBondContact O-N 3.08Å; D171-S175 VanDerWaalsContact O-N 3.08Å; D171-S175 PolarHBondContact O-OG 3.06Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.3Å; S175-T178 PolarHBondContact O-OG1 3Å; S175-T178 VanDerWaalsContact O-OG1 3.06Å; S175-S179 PolarHBondContact O-OG 3.11Å |
| 176 | S | 65.7 | Low | 71.2 | Confident | 34 Ų | 34 | 96.7 Ų | 96.7 | 24% | 0.238 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -82.6 | -23.7 | -177 | 76.1 | 0 | 0 | 0 | 0 | 114.2 | S172 L173 E174 T178 S179 G180 | S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.29Å; L173-S176 WeakPolarHBondContact CA-OG 3.42Å; L173-S176 WeakPolarHBondContact O-CA 3.5Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.07Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 3.21Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.39Å; S176-S179 CarbonylContact O-C 3.59Å; S176-S179 WeakPolarHBondContact O-CA 3.36Å; S176-S179 PolarHBondContact O-N 3.09Å; S176-S179 VanDerWaalsContact O-O 3.07Å; S176-G180 PolarHBondContact O-N 3.06Å |
| 177 | E | 58.3 | Low | 70.3 | Confident | 173 Ų | 173 | 96.5 Ų | 96.5 | 81% | 0.808 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -31 | 177.7 | -68.5 | -158.6 | 154.4 | 0 | 0 | 112.3 | L173 S179 | L173-E177 PolarHBondContact O-N 2.73Å; L173-E177 VanDerWaalsContact O-N 3.13Å; E177-S179 VanDerWaalsContact C-N 3.29Å |
| 178 | T | 54.9 | Low | 69.2 | Low | 127 Ų | 127 | 99.4 Ų | 99.4 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -78.7 | -17.7 | 171.6 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | S175 S176 | S175-T178 PolarHBondContact O-OG1 3Å; S175-T178 VanDerWaalsContact O-OG1 3.06Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.39Å |
| 179 | S | 51.2 | Low | 68.3 | Low | 70 Ų | 70 | 95 Ų | 95 | 49% | 0.49 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -120.5 | 59.1 | -173.5 | -47.8 | 0 | 0 | 0 | 0 | 109.6 | S175 S176 E177 R181 | S175-S179 PolarHBondContact O-OG 3.11Å; S176-S179 CarbonylContact O-C 3.59Å; S176-S179 WeakPolarHBondContact O-CA 3.36Å; S176-S179 PolarHBondContact O-N 3.09Å; S176-S179 VanDerWaalsContact O-O 3.07Å; E177-S179 VanDerWaalsContact C-N 3.29Å; S179-R181 PolarHBondContact O-N 3.12Å |
| 180 | G | 50.7 | Low | 67.9 | Low | 66 Ų | 66 | 94.3 Ų | 94.3 | 68% | 0.68 | 56% | 0.561 | S | S | * | * | trans | -50.8 | 102.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S176 | S176-G180 PolarHBondContact O-N 3.06Š| ||
| 181 | R | 53 | Low | 67.7 | Low | 173 Ų | 173 | 101.2 Ų | 101.2 | 65% | 0.653 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 162.9 | 122.1 | 149.3 | -95.7 | 165.6 | -177.5 | -156.2 | -1.1 | 112 | S179 L183 | S179-R181 PolarHBondContact O-N 3.12Å; R181-L183 PolarHBondContact O-N 3.24Å |
| 182 | D | 52.7 | Low | 67.5 | Low | 113 Ų | 113 | 100 Ų | 100 | 60% | 0.604 | 59% | 0.591 | S | S | * | * | trans | 23.6 | 71.5 | 138.4 | -55.6 | -35.7 | 0 | 0 | 0 | 116.5 | S184 | D182-S184 PolarHBondContact O-N 2.91Š| ||
| 183 | L | 52.1 | Low | 67.5 | Low | 136 Ų | 136 | 106.7 Ų | 106.7 | 71% | 0.712 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 13.9 | 178 | -64.7 | 177.3 | 0 | 0 | 0 | 114.4 | R181 | R181-L183 PolarHBondContact O-N 3.24Š|
| 184 | S | 56.1 | Low | 67.6 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 87% | 0.874 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -13.2 | -177.3 | -163.2 | 0 | 0 | 0 | 0 | 113.7 | D182 | D182-S184 PolarHBondContact O-N 2.91Š|
| 185 | S | 56.1 | Low | 67.6 | Low | 42 Ų | 42 | 112.4 Ų | 112.4 | 29% | 0.294 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -117.5 | 133.5 | 178.3 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | P187 P188 G189 | S185-P187 VanDerWaalsContact C-C 3.49Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.29Å; S185-P187 WeakPolarHBondContact CB-O 3.35Å; S185-P187 CarbonylContact O-C 3.55Å; S185-P187 VanDerWaalsContact O-O 3.1Å; S185-P187 PolarHBondContact OG-O 2.88Å; S185-P188 VanDerWaalsContact O-CA 3.25Å; S185-P188 WeakPolarHBondContact O-CA 3.28Å; S185-G189 PolarHBondContact OG-N 2.6Å; S185-G189 PolarHBondContact OG-O 3.37Å |
| 186 | S | 71.2 | Confident | 67.9 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -105.6 | 111.1 | 159.9 | -170.5 | 0 | 0 | 0 | 0 | 107.1 | ||
| 187 | P | 72.9 | Confident | 68.6 | Low | 76 Ų | 76 | 120.7 Ų | 120.7 | 49% | 0.494 | 67% | 0.67 | S | S | . | * | S | Bend | cis | -77.1 | 154.7 | 2.7 | 31.2 | -33.4 | 0 | 0 | 0 | 113.8 | S185 G189 | S185-P187 VanDerWaalsContact C-C 3.49Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.29Å; S185-P187 WeakPolarHBondContact CB-O 3.35Å; S185-P187 CarbonylContact O-C 3.55Å; S185-P187 VanDerWaalsContact O-O 3.1Å; S185-P187 PolarHBondContact OG-O 2.88Å; P187-G189 PolarHBondContact O-N 3.07Å |
| 188 | P | 69.6 | Low | 69.4 | Low | 82 Ų | 82 | 118.8 Ų | 118.8 | 53% | 0.532 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -62.6 | 132.2 | 177.8 | -23.5 | 33.7 | 0 | 0 | 0 | 112.2 | S185 | S185-P188 VanDerWaalsContact O-CA 3.25Å; S185-P188 WeakPolarHBondContact O-CA 3.28Å |
| 189 | G | 73.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 120.2 Ų | 120.2 | 10% | 0.103 | 65% | 0.648 | C | S | . | * | S | Bend | trans | 96.9 | 175.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S185 P187 | S185-G189 PolarHBondContact OG-N 2.6Å; S185-G189 PolarHBondContact OG-O 3.37Å; P187-G189 PolarHBondContact O-N 3.07Å |
| 190 | P | 81.6 | Confident | 71.5 | Confident | 120 Ų | 120 | 120.5 Ų | 120.5 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | trans | -69.3 | 146.6 | -177.8 | 28.7 | -34.5 | 0 | 0 | 0 | 111.7 | G192 | P190-G192 PolarHBondContact O-N 3.12Š| ||
| 191 | Y | 83.5 | Confident | 72.6 | Confident | 198 Ų | 198 | 124.4 Ų | 124.4 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -64.3 | 127.8 | 167.8 | -71.8 | -87.3 | 0 | 0 | 0 | 109.6 | ||||
| 192 | G | 84.3 | Confident | 73.5 | Confident | 64 Ų | 64 | 119 Ų | 119 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | trans | -131.4 | 164.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P190 | P190-G192 PolarHBondContact O-N 3.12Š| ||
| 193 | Q | 88.8 | Confident | 74 | Confident | 200 Ų | 200 | 121.5 Ų | 121.5 | 94% | 0.935 | 63% | 0.632 | S | S | * | * | trans | -101.5 | 1.8 | 174.3 | -66.2 | -179.9 | -25.4 | 0 | 0 | 112.7 | M195 | Q193-M195 PolarHBondContact O-N 3.02Š| ||
| 194 | E | 86.3 | Confident | 74.5 | Confident | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 129 | 176.3 | -65.7 | -86.3 | 153.3 | 0 | 0 | 109.8 | Y196 | E194-Y196 PolarHBondContact O-N 3.04Š|
| 195 | M | 81.9 | Confident | 75.6 | Confident | 175 Ų | 175 | 126.4 Ų | 126.4 | 86% | 0.862 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 136.8 | 174.4 | -72.7 | -175.5 | 177.2 | 0 | 0 | 109.7 | Q193 V197 | Q193-M195 PolarHBondContact O-N 3.02Å; M195-V197 PolarHBondContact O-N 3.17Å; M195-V197 VanDerWaalsContact O-N 3.12Å |
| 196 | Y | 81.6 | Confident | 77 | Confident | 166 Ų | 166 | 129.5 Ų | 129.5 | 65% | 0.651 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 116.9 | 174.8 | -172.4 | -100.1 | 0 | 0 | 0 | 110.6 | E194 Y198 E202 | E194-Y196 PolarHBondContact O-N 3.04Å; Y196-Y198 PolarHBondContact O-N 3.32Å; Y196-E202 WeakPolarHBondContact CE1-OE2 3.29Å; Y196-E202 PolarHBondContact OH-OE1 3.41Å; Y196-E202 PolarHBondContact OH-OE2 3.23Å |
| 197 | V | 81.2 | Confident | 77.9 | Confident | 120 Ų | 120 | 129.3 Ų | 129.3 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | trans | -83 | 109.5 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | M195 R199 | M195-V197 PolarHBondContact O-N 3.17Å; M195-V197 VanDerWaalsContact O-N 3.12Å; V197-R199 PolarHBondContact O-N 3.13Å | ||
| 198 | Y | 74.4 | Confident | 78.9 | Confident | 132 Ų | 132 | 131.7 Ų | 131.7 | 52% | 0.518 | 67% | 0.665 | S | S | . | * | trans | -61 | 123.8 | 179.2 | -173.3 | -101.6 | 0 | 0 | 0 | 111.9 | Y196 R203 | Y196-Y198 PolarHBondContact O-N 3.32Å; Y198-R203 HydrophobicContact CE1-CG 3.53Å; Y198-R203 VanDerWaalsContact OH-CA 3.26Å; Y198-R203 WeakPolarHBondContact OH-CA 3.46Å; Y198-R203 WeakPolarHBondContact OH-CG 3.25Å | ||
| 199 | R | 77.3 | Confident | 80.2 | Confident | 158 Ų | 158 | 135.3 Ų | 135.3 | 60% | 0.596 | 68% | 0.678 | S | S | * | * | trans | -92.5 | 131.6 | 176.6 | -72.1 | -173.9 | 169.1 | 157.8 | -2.7 | 111 | V197 E201 E202 | V197-R199 PolarHBondContact O-N 3.13Å; R199-E201 PolarHBondContact O-N 3.14Å; R199-E201 VanDerWaalsContact O-N 3.09Å; R199-E202 HydrophobicContact CB-CG 4.2Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.42Å | ||
| 200 | P | 72.1 | Confident | 81.3 | Confident | 76 Ų | 76 | 139.8 Ų | 139.8 | 49% | 0.494 | 70% | 0.699 | S | S | . | * | G | 310 helix | trans | -54.8 | -27.8 | 178.4 | -26.4 | 35 | 0 | 0 | 0 | 114.4 | E202 R203 | P200-E202 PolarHBondContact O-N 3.31Å; P200-R203 VanDerWaalsContact O-CB 3.25Å; P200-R203 WeakPolarHBondContact O-CB 3.49Å; P200-R203 PolarHBondContact O-N 3.37Å |
| 201 | E | 74.3 | Confident | 82 | Confident | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -69.7 | -20.4 | 178.4 | -60.5 | 69.5 | -147.3 | 0 | 0 | 112.6 | R199 R203 | R199-E201 PolarHBondContact O-N 3.14Å; R199-E201 VanDerWaalsContact O-N 3.09Å; E201-R203 VanDerWaalsContact C-N 3.33Å |
| 202 | E | 71.3 | Confident | 82.7 | Confident | 59 Ų | 59 | 131.8 Ų | 131.8 | 28% | 0.276 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -89.7 | -0.5 | 178.3 | -64.6 | 168.4 | -175.1 | 0 | 0 | 112.5 | Y196 R199 P200 F204 K205 | Y196-E202 WeakPolarHBondContact CE1-OE2 3.29Å; Y196-E202 PolarHBondContact OH-OE1 3.41Å; Y196-E202 PolarHBondContact OH-OE2 3.23Å; R199-E202 HydrophobicContact CB-CG 4.2Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.42Å; P200-E202 PolarHBondContact O-N 3.31Å; E202-F204 PolarHBondContact O-N 3.16Å; E202-K205 PolarHBondContact O-N 3.4Å |
| 203 | R | 63 | Low | 83.3 | Confident | 166 Ų | 166 | 132.8 Ų | 132.8 | 63% | 0.626 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -22.2 | -175.7 | -95.7 | -174.1 | 170.6 | 153.6 | 0.8 | 116.3 | Y198 P200 E201 | Y198-R203 HydrophobicContact CE1-CG 3.53Å; Y198-R203 VanDerWaalsContact OH-CA 3.26Å; Y198-R203 WeakPolarHBondContact OH-CA 3.46Å; Y198-R203 WeakPolarHBondContact OH-CG 3.25Å; P200-R203 VanDerWaalsContact O-CB 3.25Å; P200-R203 WeakPolarHBondContact O-CB 3.49Å; P200-R203 PolarHBondContact O-N 3.37Å; E201-R203 VanDerWaalsContact C-N 3.33Å |
| 204 | F | 63.8 | Low | 83.7 | Confident | 184 Ų | 184 | 124.7 Ų | 124.7 | 81% | 0.807 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 8.2 | -166.7 | -57.1 | -73.9 | 0 | 0 | 0 | 113.9 | E202 | E202-F204 PolarHBondContact O-N 3.16Š|
| 205 | K | 79.8 | Confident | 84.2 | Confident | 181 Ų | 181 | 121.8 Ų | 121.8 | 79% | 0.787 | 61% | 0.611 | S | S | * | * | trans | -94.9 | 101.9 | 175.4 | -62.3 | -170.7 | -178.4 | -176.5 | 0 | 109.7 | E202 | E202-K205 PolarHBondContact O-N 3.4Š| ||
| 206 | S | 84.9 | Confident | 84.7 | Confident | 106 Ų | 106 | 118 Ų | 118 | 74% | 0.741 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -62 | 146.4 | 167.5 | 54.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 207 | P | 89.8 | Confident | 85.3 | Confident | 112 Ų | 112 | 111.7 Ų | 111.7 | 73% | 0.727 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 149.4 | 171 | -24.7 | 33.9 | 0 | 0 | 0 | 111.4 | ||
| 208 | P | 93.6 | Very high | 86 | Confident | 126 Ų | 126 | 106.1 Ų | 106.1 | 82% | 0.818 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 145.8 | 176.7 | 26.8 | -34.2 | 0 | 0 | 0 | 110.8 | ||
| 209 | I | 96.7 | Very high | 87 | Confident | 159 Ų | 159 | 102.8 Ų | 102.8 | 82% | 0.815 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 137.3 | 175.6 | -59.2 | 170.2 | 0 | 0 | 0 | 108.9 | P211 | I209-P211 WeakPolarHBondContact O-CD 3.4Š|
| 210 | L | 96.6 | Very high | 87.9 | Confident | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 121.9 | 177.1 | 179.2 | 66.8 | 0 | 0 | 0 | 110.6 | L214 L215 | L210-L214 HydrophobicContact CD1-CB 4.38Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L215 HydrophobicContact CD2-CD2 3.76Å; L210-L215 HydrophobicContact CD2-CG 4.31Å |
| 211 | P | 97.4 | Very high | 88.8 | Confident | 62 Ų | 62 | 101.9 Ų | 101.9 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -62 | 127.5 | 175.3 | -24.1 | 34.9 | 0 | 0 | 0 | 111 | I209 H213 L214 | I209-P211 WeakPolarHBondContact O-CD 3.4Å; P211-H213 PolarHBondContact O-N 3.14Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.09Å |
| 212 | P | 97.3 | Very high | 89.6 | Confident | 87 Ų | 87 | 102.8 Ų | 102.8 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -64.3 | -19.8 | -174.1 | 24.9 | -35 | 0 | 0 | 0 | 113.5 | L214 L215 | P212-L214 PolarHBondContact O-N 3.1Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.38Å |
| 213 | H | 96.8 | Very high | 90.5 | Very high | 85 Ų | 85 | 103 Ų | 103 | 39% | 0.394 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -58.5 | -32.6 | 174.6 | -61.7 | 94.1 | 0 | 0 | 0 | 112.9 | P211 L215 Q216 | P211-H213 PolarHBondContact O-N 3.14Å; H213-L215 PolarHBondContact O-N 3.11Å; H213-Q216 PolarHBondContact O-N 3.45Å |
| 214 | L | 97.2 | Very high | 91.8 | Very high | 31 Ų | 31 | 100 Ų | 100 | 16% | 0.162 | 54% | 0.537 | C | S | . | . | G | 310 helix | trans | -73.1 | -11.4 | 178.7 | -60.2 | -176.3 | 0 | 0 | 0 | 112.9 | L210 P211 P212 Q216 M239 H242 Y244 | L210-L214 HydrophobicContact CD1-CB 4.38Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.09Å; P212-L214 PolarHBondContact O-N 3.1Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-M239 HydrophobicContact CD2-CB 4.46Å; L214-H242 HydrophobicContact CD2-CB 4.46Å; L214-Y244 WeakPolarHBondContact O-CE1 3.47Å; L214-Y244 PolarHBondContact O-OH 2.91Å |
| 215 | L | 96.5 | Very high | 93 | Very high | 121 Ų | 121 | 99.5 Ų | 99.5 | 63% | 0.634 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -83.9 | -12.3 | 174.4 | -58 | 174.7 | 0 | 0 | 0 | 112.2 | L210 P212 H213 V217 | L210-L215 HydrophobicContact CD2-CD2 3.76Å; L210-L215 HydrophobicContact CD2-CG 4.31Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.38Å; H213-L215 PolarHBondContact O-N 3.11Å; L215-V217 VanDerWaalsContact C-N 3.33Å; L215-V217 PolarHBondContact O-N 3.26Å; L215-V217 VanDerWaalsContact O-N 3.08Å |
| 216 | Q | 93.8 | Very high | 93.7 | Very high | 97 Ų | 97 | 95.7 Ų | 95.7 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | trans | -86.9 | 66.1 | -177.3 | -60.8 | -176.5 | 6.2 | 0 | 0 | 111.8 | H213 L214 I218 M239 | H213-Q216 PolarHBondContact O-N 3.45Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-I218 PolarHBondContact O-N 2.75Å; Q216-M239 WeakPolarHBondContact O-CE 2.95Å | ||
| 217 | V | 94.7 | Very high | 94 | Very high | 32 Ų | 32 | 93 Ų | 93 | 19% | 0.194 | 52% | 0.517 | C | S | . | . | trans | -59.8 | 120.3 | -176 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | L215 L219 N220 Y244 | L215-V217 VanDerWaalsContact C-N 3.33Å; L215-V217 PolarHBondContact O-N 3.26Å; L215-V217 VanDerWaalsContact O-N 3.08Å; V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 HydrophobicContact CG1-CB 4.38Å; V217-L219 PolarHBondContact O-N 2.98Å; V217-N220 HydrophobicContact CB-CB 4.12Å; V217-N220 HydrophobicContact CG1-CB 4.45Å; V217-N220 PolarHBondContact O-N 2.63Å; V217-N220 VanDerWaalsContact O-N 3.16Å; V217-Y244 HydrophobicContact CB-CD1 4.43Å; V217-Y244 HydrophobicContact CB-CE1 4.43Å; V217-Y244 HydrophobicContact CG1-CD1 4.05Å; V217-Y244 HydrophobicContact CG1-CE1 4.44Å; V217-Y244 HydrophobicContact CG1-CG 4.41Å; V217-Y244 HydrophobicContact CG2-CD1 3.78Å; V217-Y244 HydrophobicContact CG2-CE1 3.76Å | ||
| 218 | I | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 92.1 Ų | 92.1 | 2% | 0.021 | 51% | 0.506 | C | S | . | . | G | 310 helix | trans | -63.5 | -34.8 | -177.1 | -171.6 | 166.1 | 0 | 0 | 0 | 113.3 | Q216 N220 K221 L232 P233 P235 M239 | Q216-I218 PolarHBondContact O-N 2.75Å; I218-N220 PolarHBondContact O-N 2.7Å; I218-K221 PolarHBondContact O-N 3.06Å; I218-L232 HydrophobicContact CD1-CB 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.49Å; I218-L232 HydrophobicContact CG1-CB 4.34Å; I218-P233 HydrophobicContact CD1-CG 4.3Å; I218-P233 WeakPolarHBondContact CD1-O 3.43Å; I218-P233 HydrophobicContact CG1-CG 4.03Å; I218-P235 HydrophobicContact CD1-CB 3.94Å; I218-M239 HydrophobicContact CB-CE 4.5Å; I218-M239 HydrophobicContact CB-SD 4.27Å; I218-M239 HydrophobicContact CG2-SD 4.49Å |
| 219 | L | 95.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 91.8 Ų | 91.8 | 33% | 0.325 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -74.2 | -14.1 | 179.1 | -65.2 | 176.2 | 0 | 0 | 0 | 113.3 | V217 L232 T267 L269 | V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 HydrophobicContact CG1-CB 4.38Å; V217-L219 PolarHBondContact O-N 2.98Å; L219-L232 HydrophobicContact CD2-CD1 3.91Å; L219-L232 HydrophobicContact CD2-CD2 4.22Å; L219-T267 HydrophobicContact CD1-CG2 3.98Å; L219-T267 HydrophobicContact CD2-CG2 3.91Å; L219-T267 HydrophobicContact CG-CG2 4.04Å; L219-L269 HydrophobicContact CD1-CD1 4.03Å; L219-L269 HydrophobicContact CD1-CD2 4.34Å; L219-L269 HydrophobicContact CD1-CG 4.25Å; L219-L269 HydrophobicContact CD2-CD1 4.38Å |
| 220 | N | 94.7 | Very high | 94.1 | Very high | 121 Ų | 121 | 88.1 Ų | 88.1 | 65% | 0.647 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -92.9 | 2.3 | 175.6 | -65.9 | -3.6 | 0 | 0 | 0 | 112.2 | V217 I218 | V217-N220 HydrophobicContact CB-CB 4.12Å; V217-N220 HydrophobicContact CG1-CB 4.45Å; V217-N220 PolarHBondContact O-N 2.63Å; V217-N220 VanDerWaalsContact O-N 3.16Å; I218-N220 PolarHBondContact O-N 2.7Å |
| 221 | K | 92.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 87.9 Ų | 87.9 | 41% | 0.409 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -90.9 | 130.8 | 177.6 | -65.5 | -175.6 | 178.3 | -177 | 0 | 109.5 | I218 P233 | I218-K221 PolarHBondContact O-N 3.06Å; K221-P233 HydrophobicContact CD-CG 4.26Å |
| 222 | D | 91.1 | Very high | 94 | Very high | 166 Ų | 166 | 88.3 Ų | 88.3 | 89% | 0.888 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 136 | 172 | -62.1 | -48 | 0 | 0 | 0 | 110.6 | ||
| 223 | T | 90.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 86.7 Ų | 86.7 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 156.8 | 171.3 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | I225 | T223-I225 PolarHBondContact O-N 3.39Š|
| 224 | N | 89.1 | Confident | 93.9 | Very high | 104 Ų | 104 | 90 Ų | 90 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 130.8 | 178.5 | -171.5 | -21.9 | 0 | 0 | 0 | 109.6 | S226 C227 | N224-S226 PolarHBondContact ND2-OG 3.48Å; N224-S226 PolarHBondContact O-N 2.77Å; N224-S226 PolarHBondContact OD1-N 3.39Å; N224-S226 VanDerWaalsContact OD1-N 3.11Å; N224-S226 PolarHBondContact OD1-OG 3.47Å; N224-C227 PolarHBondContact O-N 3.46Å; N224-C227 PolarHBondContact O-SG 3.27Å |
| 225 | I | 90.3 | Very high | 93.9 | Very high | 173 Ų | 173 | 89 Ų | 89 | 89% | 0.887 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -19.2 | 176.5 | 51.5 | 159.4 | 0 | 0 | 0 | 114.3 | T223 | T223-I225 PolarHBondContact O-N 3.39Š|
| 226 | S | 93.2 | Very high | 93.9 | Very high | 101 Ų | 101 | 86 Ų | 86 | 71% | 0.706 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -12.6 | 178.7 | 71.2 | 0 | 0 | 0 | 0 | 114.6 | N224 | N224-S226 PolarHBondContact ND2-OG 3.48Å; N224-S226 PolarHBondContact O-N 2.77Å; N224-S226 PolarHBondContact OD1-N 3.39Å; N224-S226 VanDerWaalsContact OD1-N 3.11Å; N224-S226 PolarHBondContact OD1-OG 3.47Å |
| 227 | C | 91.6 | Very high | 94.1 | Very high | 49 Ų | 49 | 87.6 Ų | 87.6 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -98.2 | 163.6 | -178.8 | 66.4 | 0 | 0 | 0 | 0 | 112.7 | N224 | N224-C227 PolarHBondContact O-N 3.46Å; N224-C227 PolarHBondContact O-SG 3.27Å |
| 228 | D | 94.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 88.8 Ų | 88.8 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | trans | -57.6 | 128.6 | 174.3 | 177.2 | -16.7 | 0 | 0 | 0 | 110.5 | A230 L231 | D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 VanDerWaalsContact O-N 3.13Å; D228-A230 WeakPolarHBondContact OD1-CB 3.44Å; D228-A230 PolarHBondContact OD1-N 3.4Å; D228-L231 HydrophobicContact CB-CD1 3.83Å; D228-L231 HydrophobicContact CB-CG 3.9Å; D228-L231 WeakPolarHBondContact O-CB 2.97Å; D228-L231 PolarHBondContact O-N 2.97Å | ||
| 229 | P | 93.6 | Very high | 94.3 | Very high | 119 Ų | 119 | 88.8 Ų | 88.8 | 77% | 0.773 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22 | 179.8 | -25.5 | 34.5 | 0 | 0 | 0 | 115.4 | L231 | P229-L231 VanDerWaalsContact C-N 3.29Š|
| 230 | A | 94.7 | Very high | 94.4 | Very high | 82 Ų | 82 | 86.6 Ų | 86.6 | 68% | 0.678 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D228 | D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 VanDerWaalsContact O-N 3.13Å; D228-A230 WeakPolarHBondContact OD1-CB 3.44Å; D228-A230 PolarHBondContact OD1-N 3.4Å |
| 231 | L | 95.7 | Very high | 94.6 | Very high | 100 Ų | 100 | 86.6 Ų | 86.6 | 52% | 0.524 | 48% | 0.483 | S | S | . | . | trans | -83.7 | 131.5 | 178.8 | -64.1 | 176.2 | 0 | 0 | 0 | 111 | D228 P229 | D228-L231 HydrophobicContact CB-CD1 3.83Å; D228-L231 HydrophobicContact CB-CG 3.9Å; D228-L231 WeakPolarHBondContact O-CB 2.97Å; D228-L231 PolarHBondContact O-N 2.97Å; P229-L231 VanDerWaalsContact C-N 3.29Å | ||
| 232 | L | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 48% | 0.481 | S | S | . | . | trans | -113.8 | 154.6 | 173.6 | -65.6 | 175.3 | 0 | 0 | 0 | 109.7 | I218 L219 T267 | I218-L232 HydrophobicContact CD1-CB 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.49Å; I218-L232 HydrophobicContact CG1-CB 4.34Å; L219-L232 HydrophobicContact CD2-CD1 3.91Å; L219-L232 HydrophobicContact CD2-CD2 4.22Å; L232-T267 HydrophobicContact CD1-CG2 4.34Å; L232-T267 WeakPolarHBondContact CD1-OG1 3.48Å | ||
| 233 | P | 95.2 | Very high | 95.2 | Very high | 54 Ų | 54 | 83.7 Ų | 83.7 | 35% | 0.351 | 47% | 0.469 | S | S | . | . | P | Polyproline II helix | trans | -63 | 164.2 | 172.8 | 28.1 | -35.4 | 0 | 0 | 0 | 111.5 | I218 K221 P235 | I218-P233 HydrophobicContact CD1-CG 4.3Å; I218-P233 WeakPolarHBondContact CD1-O 3.43Å; I218-P233 HydrophobicContact CG1-CG 4.03Å; K221-P233 HydrophobicContact CD-CG 4.26Å; P233-P235 WeakPolarHBondContact O-CD 3.21Å |
| 234 | E | 96.2 | Very high | 95.5 | Very high | 154 Ų | 154 | 82.3 Ų | 82.3 | 72% | 0.72 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 124.6 | 176.5 | -172.5 | 172.2 | -176.3 | 0 | 0 | 111.1 | Y265 | E234-Y265 HydrophobicContact CG-CD2 4.47Å; E234-Y265 HydrophobicContact CG-CE2 3.93Å |
| 235 | P | 97.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 80.6 Ų | 80.6 | 7% | 0.071 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 152.5 | 178.3 | 30.8 | -35 | 0 | 0 | 0 | 111.7 | I218 P233 M239 L240 T258 Y265 | I218-P235 HydrophobicContact CD1-CB 3.94Å; P233-P235 WeakPolarHBondContact O-CD 3.21Å; P235-M239 HydrophobicContact CB-CG 4.19Å; P235-M239 HydrophobicContact CB-SD 3.69Å; P235-L240 HydrophobicContact CB-CD2 4.16Å; P235-L240 HydrophobicContact CG-CD2 3.93Å; P235-T258 HydrophobicContact CB-CG2 4.34Å; P235-T258 HydrophobicContact CG-CG2 4.08Å; P235-Y265 HydrophobicContact CG-CD1 3.71Å; P235-Y265 HydrophobicContact CG-CD2 3.97Å; P235-Y265 HydrophobicContact CG-CE1 4.21Å; P235-Y265 HydrophobicContact CG-CE2 4.44Å; P235-Y265 HydrophobicContact CG-CG 3.56Å |
| 236 | N | 97.1 | Very high | 96.2 | Very high | 57 Ų | 57 | 77.7 Ų | 77.7 | 31% | 0.305 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.8 | 166.8 | -171 | -35.8 | 0 | 0 | 0 | 109.6 | V238 M239 | N236-V238 PolarHBondContact O-N 2.85Å; N236-V238 VanDerWaalsContact O-N 3.11Å; N236-V238 PolarHBondContact OD1-N 2.87Å; N236-V238 VanDerWaalsContact OD1-N 3.12Å; N236-M239 HydrophobicContact CB-CG 4.42Å; N236-M239 WeakPolarHBondContact O-CG 3.48Å; N236-M239 PolarHBondContact O-N 3.31Å; N236-M239 VanDerWaalsContact O-N 3.14Å |
| 237 | H | 97.6 | Very high | 96.4 | Very high | 131 Ų | 131 | 77.9 Ų | 77.9 | 61% | 0.606 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -58 | -28.3 | -179.6 | 70.1 | -85.5 | 0 | 0 | 0 | 113.5 | M239 L240 | H237-M239 VanDerWaalsContact C-N 3.33Å; H237-M239 PolarHBondContact O-N 2.84Å; H237-L240 HydrophobicContact CB-CD1 4.47Å; H237-L240 WeakPolarHBondContact O-CB 3.34Å; H237-L240 WeakPolarHBondContact O-CG 3.48Å; H237-L240 PolarHBondContact O-N 3.1Å |
| 238 | V | 97.8 | Very high | 96.6 | Very high | 57 Ų | 57 | 80 Ų | 80 | 35% | 0.345 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -69.6 | -26 | -179.3 | -179.5 | 0 | 0 | 0 | 0 | 112.9 | N236 H242 | N236-V238 PolarHBondContact O-N 2.85Å; N236-V238 VanDerWaalsContact O-N 3.11Å; N236-V238 PolarHBondContact OD1-N 2.87Å; N236-V238 VanDerWaalsContact OD1-N 3.12Å; V238-H242 PolarHBondContact O-CD2 3.21Å; V238-H242 PolarHBondContact O-NE2 2.98Å |
| 239 | M | 96.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 82.8 Ų | 82.8 | 2% | 0.02 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -86.2 | -7.7 | 179.6 | 62.5 | 152.1 | 63.2 | 0 | 0 | 113.7 | L214 Q216 I218 P235 N236 H237 H242 | L214-M239 HydrophobicContact CD2-CB 4.46Å; Q216-M239 WeakPolarHBondContact O-CE 2.95Å; I218-M239 HydrophobicContact CB-CE 4.5Å; I218-M239 HydrophobicContact CB-SD 4.27Å; I218-M239 HydrophobicContact CG2-SD 4.49Å; P235-M239 HydrophobicContact CB-CG 4.19Å; P235-M239 HydrophobicContact CB-SD 3.69Å; N236-M239 HydrophobicContact CB-CG 4.42Å; N236-M239 WeakPolarHBondContact O-CG 3.48Å; N236-M239 PolarHBondContact O-N 3.31Å; N236-M239 VanDerWaalsContact O-N 3.14Å; H237-M239 VanDerWaalsContact C-N 3.33Å; H237-M239 PolarHBondContact O-N 2.84Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.92Å |
| 240 | L | 97.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 85.1 Ų | 85.1 | 8% | 0.084 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 147.3 | -179.5 | -58.1 | 177.3 | 0 | 0 | 0 | 110.1 | P235 H237 H242 T258 R260 Y265 | P235-L240 HydrophobicContact CB-CD2 4.16Å; P235-L240 HydrophobicContact CG-CD2 3.93Å; H237-L240 HydrophobicContact CB-CD1 4.47Å; H237-L240 WeakPolarHBondContact O-CB 3.34Å; H237-L240 WeakPolarHBondContact O-CG 3.48Å; H237-L240 PolarHBondContact O-N 3.1Å; L240-H242 PolarHBondContact O-CD2 2.81Å; L240-H242 PolarHBondContact O-N 2.94Å; L240-H242 VanDerWaalsContact O-N 3.14Å; L240-T258 WeakPolarHBondContact CA-O 3.36Å; L240-T258 HydrophobicContact CD2-CG2 3.53Å; L240-R260 HydrophobicContact CD1-CB 4.17Å; L240-Y265 HydrophobicContact CD1-CD1 4.11Å; L240-Y265 HydrophobicContact CD1-CE1 3.83Å; L240-Y265 HydrophobicContact CD2-CD1 4.02Å; L240-Y265 HydrophobicContact CD2-CE1 4.46Å |
| 241 | N | 97.8 | Very high | 96.7 | Very high | 120 Ų | 120 | 83.2 Ų | 83.2 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 6.3 | -177.2 | -44.8 | -37.9 | 0 | 0 | 0 | 115 | T258 H259 | N241-T258 PolarHBondContact N-O 2.99Å; N241-H259 PolarHBondContact OD1-CD2 3.01Å; N241-H259 VanDerWaalsContact OD1-CD2 3.31Å |
| 242 | H | 98.2 | Very high | 96.8 | Very high | 81 Ų | 81 | 81 Ų | 81 | 38% | 0.375 | 44% | 0.443 | S | S | . | . | trans | -86.7 | 137.9 | 169.7 | -70.6 | -89.9 | 0 | 0 | 0 | 111 | L214 V238 M239 L240 Y244 | L214-H242 HydrophobicContact CD2-CB 4.46Å; V238-H242 PolarHBondContact O-CD2 3.21Å; V238-H242 PolarHBondContact O-NE2 2.98Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.92Å; L240-H242 PolarHBondContact O-CD2 2.81Å; L240-H242 PolarHBondContact O-N 2.94Å; L240-H242 VanDerWaalsContact O-N 3.14Å; H242-Y244 HydrophobicContact CB-CE2 4.19Å | ||
| 243 | L | 98.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 80.7 Ų | 80.7 | 62% | 0.623 | 44% | 0.441 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 126 | 177.5 | -171.2 | 72 | 0 | 0 | 0 | 110.3 | L255 | L243-L255 HydrophobicContact CD1-CB 4.14Å; L243-L255 HydrophobicContact CD1-CD2 4.44Å; L243-L255 HydrophobicContact CD2-CD2 4.26Å; L243-L255 HydrophobicContact CG-CD2 4.5Å |
| 244 | Y | 97.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 79.6 Ų | 79.6 | 13% | 0.129 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.5 | 168.7 | -63.2 | -87.9 | 0 | 0 | 0 | 109 | L214 V217 H242 L255 S256 | L214-Y244 WeakPolarHBondContact O-CE1 3.47Å; L214-Y244 PolarHBondContact O-OH 2.91Å; V217-Y244 HydrophobicContact CB-CD1 4.43Å; V217-Y244 HydrophobicContact CB-CE1 4.43Å; V217-Y244 HydrophobicContact CG1-CD1 4.05Å; V217-Y244 HydrophobicContact CG1-CE1 4.44Å; V217-Y244 HydrophobicContact CG1-CG 4.41Å; V217-Y244 HydrophobicContact CG2-CD1 3.78Å; V217-Y244 HydrophobicContact CG2-CE1 3.76Å; H242-Y244 HydrophobicContact CB-CE2 4.19Å; Y244-L255 CarbonylContact O-C 3.59Å; Y244-S256 WeakPolarHBondContact CB-OG 3.39Å; Y244-S256 PolarHBondContact N-O 3.34Å; Y244-S256 PolarHBondContact O-N 2.71Å; Y244-S256 PolarHBondContact O-OG 2.85Å |
| 245 | A | 97.3 | Very high | 97 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 56% | 0.562 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 143.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V254 L255 | A245-V254 WeakPolarHBondContact CA-O 3.36Å; A245-L255 HydrophobicContact CB-CD2 3.64Å |
| 246 | L | 96.6 | Very high | 97.1 | Very high | 112 Ų | 112 | 74.5 Ų | 74.5 | 59% | 0.586 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -84.9 | 153.8 | 163.7 | -67.7 | 175.2 | 0 | 0 | 0 | 109.6 | I248 V254 | L246-I248 PolarHBondContact O-N 3.09Å; L246-V254 HydrophobicContact CB-CB 4.32Å; L246-V254 HydrophobicContact CD1-CB 4.28Å; L246-V254 HydrophobicContact CD1-CG1 4.2Å; L246-V254 PolarHBondContact N-O 2.88Å; L246-V254 VanDerWaalsContact N-O 3.09Å |
| 247 | S | 96.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 72.4 Ų | 72.4 | 73% | 0.727 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 131.5 | 167.4 | -55 | 0 | 0 | 0 | 0 | 109.5 | K249 | S247-K249 PolarHBondContact O-N 3.19Š|
| 248 | I | 96.2 | Very high | 97.2 | Very high | 93 Ų | 93 | 66.2 Ų | 66.2 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 131.4 | 179 | -63.6 | 158.3 | 0 | 0 | 0 | 109.2 | L246 M253 I274 | L246-I248 PolarHBondContact O-N 3.09Å; I248-M253 HydrophobicContact CD1-CE 4.24Å; I248-M253 HydrophobicContact CG1-CB 4.37Å; I248-M253 HydrophobicContact CG1-CG 4.39Å; I248-I274 HydrophobicContact CB-CD1 4.3Å; I248-I274 HydrophobicContact CD1-CD1 3.46Å; I248-I274 VanDerWaalsContact CD1-CD1 3.46Å; I248-I274 HydrophobicContact CG1-CD1 3.8Å; I248-I274 HydrophobicContact CG2-CD1 3.52Å |
| 249 | K | 94.6 | Very high | 97.2 | Very high | 154 Ų | 154 | 67.8 Ų | 67.8 | 67% | 0.67 | 38% | 0.376 | S | S | * | . | B | Isolated β-bridge | trans | -138.1 | 143.3 | 175.7 | -69.1 | -176.9 | -179.7 | -178.5 | 0 | 109.1 | S247 G251 V252 | S247-K249 PolarHBondContact O-N 3.19Å; K249-G251 PolarHBondContact O-N 2.79Å; K249-G251 VanDerWaalsContact O-N 3.14Å; K249-V252 PolarHBondContact N-O 3.2Å; K249-V252 PolarHBondContact O-N 2.92Å |
| 250 | D | 94.8 | Very high | 97.3 | Very high | 168 Ų | 168 | 73.3 Ų | 73.3 | 90% | 0.898 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.7 | 176 | -52 | -42.4 | 0 | 0 | 0 | 114.6 | V252 | D250-V252 PolarHBondContact O-N 2.75Š|
| 251 | G | 95.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 79.9 Ų | 79.9 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 11.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K249 P273 I274 | K249-G251 PolarHBondContact O-N 2.79Å; K249-G251 VanDerWaalsContact O-N 3.14Å; G251-P273 WeakPolarHBondContact O-CA 3.43Å; G251-I274 PolarHBondContact O-N 3.02Å |
| 252 | V | 97.1 | Very high | 97.2 | Very high | 53 Ų | 53 | 82.1 Ų | 82.1 | 32% | 0.321 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.1 | -179.9 | -177 | 0 | 0 | 0 | 0 | 110.8 | K249 D250 V254 C271 | K249-V252 PolarHBondContact N-O 3.2Å; K249-V252 PolarHBondContact O-N 2.92Å; D250-V252 PolarHBondContact O-N 2.75Å; V252-V254 HydrophobicContact CG1-CG2 4.31Å; V252-C271 HydrophobicContact CG1-CB 4.23Å |
| 253 | M | 97.2 | Very high | 97.2 | Very high | 64 Ų | 64 | 87.6 Ų | 87.6 | 32% | 0.315 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 132.1 | 168 | -172.1 | -176.2 | -66.9 | 0 | 0 | 109.7 | I248 L255 C271 K272 I274 | I248-M253 HydrophobicContact CD1-CE 4.24Å; I248-M253 HydrophobicContact CG1-CB 4.37Å; I248-M253 HydrophobicContact CG1-CG 4.39Å; M253-L255 HydrophobicContact CG-CD2 4.05Å; M253-L255 HydrophobicContact CG-CG 4.03Å; M253-L255 HydrophobicContact SD-CD1 3.89Å; M253-L255 HydrophobicContact SD-CD2 3.96Å; M253-L255 HydrophobicContact SD-CG 3.93Å; M253-C271 WeakPolarHBondContact O-CA 3.42Å; M253-K272 PolarHBondContact N-O 2.98Å; M253-K272 PolarHBondContact O-N 3.13Å; M253-I274 HydrophobicContact CB-CD1 4.04Å; M253-I274 HydrophobicContact CB-CG1 4.05Å; M253-I274 HydrophobicContact CE-CD1 4.05Å; M253-I274 HydrophobicContact CE-CG1 4.42Å |
| 254 | V | 97.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 89.4 Ų | 89.4 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.7 | 173.6 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | A245 L246 V252 L270 | A245-V254 WeakPolarHBondContact CA-O 3.36Å; L246-V254 HydrophobicContact CB-CB 4.32Å; L246-V254 HydrophobicContact CD1-CB 4.28Å; L246-V254 HydrophobicContact CD1-CG1 4.2Å; L246-V254 PolarHBondContact N-O 2.88Å; L246-V254 VanDerWaalsContact N-O 3.09Å; V252-V254 HydrophobicContact CG1-CG2 4.31Å; V254-L270 WeakPolarHBondContact CA-O 3.49Å |
| 255 | L | 97.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 91.1 Ų | 91.1 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 148.7 | 178 | -61.8 | -178.9 | 0 | 0 | 0 | 109.9 | L243 Y244 A245 M253 L269 L270 | L243-L255 HydrophobicContact CD1-CB 4.14Å; L243-L255 HydrophobicContact CD1-CD2 4.44Å; L243-L255 HydrophobicContact CD2-CD2 4.26Å; L243-L255 HydrophobicContact CG-CD2 4.5Å; Y244-L255 CarbonylContact O-C 3.59Å; A245-L255 HydrophobicContact CB-CD2 3.64Å; M253-L255 HydrophobicContact CG-CD2 4.05Å; M253-L255 HydrophobicContact CG-CG 4.03Å; M253-L255 HydrophobicContact SD-CD1 3.89Å; M253-L255 HydrophobicContact SD-CD2 3.96Å; M253-L255 HydrophobicContact SD-CG 3.93Å; L255-L269 CarbonylContact O-C 3.55Å; L255-L269 WeakPolarHBondContact O-CA 3.37Å; L255-L270 PolarHBondContact N-O 3.21Å; L255-L270 PolarHBondContact O-N 3.49Å |
| 256 | S | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 91.6 Ų | 91.6 | 10% | 0.098 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 149.9 | 174.7 | 66.8 | 0 | 0 | 0 | 0 | 111.9 | Y244 T268 | Y244-S256 WeakPolarHBondContact CB-OG 3.39Å; Y244-S256 PolarHBondContact N-O 3.34Å; Y244-S256 PolarHBondContact O-N 2.71Å; Y244-S256 PolarHBondContact O-OG 2.85Å; S256-T268 WeakPolarHBondContact CA-O 3.46Å; S256-T268 WeakPolarHBondContact CB-O 3.5Å |
| 257 | A | 98.3 | Very high | 97.3 | Very high | 14 Ų | 14 | 87.6 Ų | 87.6 | 12% | 0.116 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | T267 T268 | A257-T267 WeakPolarHBondContact O-CA 3.45Å; A257-T268 PolarHBondContact N-O 3.41Å; A257-T268 PolarHBondContact O-N 3.47Å |
| 258 | T | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 86.5 Ų | 86.5 | 1% | 0.006 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 122.9 | 175.2 | -52.1 | 0 | 0 | 0 | 0 | 109.8 | P235 L240 N241 V266 T267 | P235-T258 HydrophobicContact CB-CG2 4.34Å; P235-T258 HydrophobicContact CG-CG2 4.08Å; L240-T258 WeakPolarHBondContact CA-O 3.36Å; L240-T258 HydrophobicContact CD2-CG2 3.53Å; N241-T258 PolarHBondContact N-O 2.99Å; T258-V266 WeakPolarHBondContact CA-O 3.19Å; T258-T267 WeakPolarHBondContact CG2-OG1 3.5Å; T258-T267 PolarHBondContact OG1-OG1 3.4Å |
| 259 | H | 98.4 | Very high | 97.5 | Very high | 89 Ų | 89 | 86.7 Ų | 86.7 | 41% | 0.412 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 150.3 | 179.1 | -63 | 95.7 | 0 | 0 | 0 | 110.8 | N241 Y265 V266 | N241-H259 PolarHBondContact OD1-CD2 3.01Å; N241-H259 VanDerWaalsContact OD1-CD2 3.31Å; H259-Y265 WeakPolarHBondContact O-CA 3.41Å; H259-V266 PolarHBondContact N-O 2.87Å; H259-V266 PolarHBondContact O-N 3.14Å |
| 260 | R | 98.4 | Very high | 97.7 | Very high | 120 Ų | 120 | 84 Ų | 84 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 127.5 | 173.7 | -173.4 | -176.1 | -62.9 | -130.4 | -4.8 | 109.7 | L240 K262 K264 Y265 | L240-R260 HydrophobicContact CD1-CB 4.17Å; R260-K262 WeakPolarHBondContact CD-O 3.3Å; R260-K262 WeakPolarHBondContact CG-O 3.46Å; R260-K264 CarbonylContact C-O 3.39Å; R260-K264 WeakPolarHBondContact CA-O 3.44Å; R260-Y265 HydrophobicContact CB-CD1 4.19Å; R260-Y265 HydrophobicContact CB-CE1 4.28Å; R260-Y265 HydrophobicContact CG-CD1 4.2Å; R260-Y265 HydrophobicContact CG-CE1 3.99Å; R260-Y265 PolarHBondContact NH2-OH 2.92Å; R260-Y265 VanDerWaalsContact NH2-OH 3.1Å |
| 261 | Y | 97.9 | Very high | 97.8 | Very high | 155 Ų | 155 | 80.1 Ų | 80.1 | 61% | 0.608 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 109.3 | 167.8 | -179.3 | -107.8 | 0 | 0 | 0 | 109.4 | K263 K264 | Y261-K263 PolarHBondContact O-N 2.85Å; Y261-K263 VanDerWaalsContact O-N 3.1Å; Y261-K264 PolarHBondContact N-O 2.96Å; Y261-K264 PolarHBondContact O-N 3.32Å |
| 262 | K | 96.9 | Very high | 97.9 | Very high | 167 Ų | 167 | 84.6 Ų | 84.6 | 73% | 0.726 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -112.1 | -170.1 | -56.5 | -178.8 | 178.5 | -176.7 | 0 | 110.9 | R260 | R260-K262 WeakPolarHBondContact CD-O 3.3Å; R260-K262 WeakPolarHBondContact CG-O 3.46Å |
| 263 | K | 97.7 | Very high | 97.8 | Very high | 196 Ų | 196 | 86.7 Ų | 86.7 | 85% | 0.852 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 11.3 | 178.3 | -61.7 | -173 | 177.6 | -176.9 | 0 | 113.2 | Y261 | Y261-K263 PolarHBondContact O-N 2.85Å; Y261-K263 VanDerWaalsContact O-N 3.1Å |
| 264 | K | 97.9 | Very high | 97.5 | Very high | 157 Ų | 157 | 90.9 Ų | 90.9 | 68% | 0.683 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 158.2 | -179.8 | -63.8 | -171.7 | 176.7 | -171.7 | 0 | 110.8 | R260 Y261 | R260-K264 CarbonylContact C-O 3.39Å; R260-K264 WeakPolarHBondContact CA-O 3.44Å; Y261-K264 PolarHBondContact N-O 2.96Å; Y261-K264 PolarHBondContact O-N 3.32Å |
| 265 | Y | 98.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 93.9 Ų | 93.9 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | 179 | -52.1 | -78 | 0 | 0 | 0 | 109.9 | E234 P235 L240 H259 R260 | E234-Y265 HydrophobicContact CG-CD2 4.47Å; E234-Y265 HydrophobicContact CG-CE2 3.93Å; P235-Y265 HydrophobicContact CG-CD1 3.71Å; P235-Y265 HydrophobicContact CG-CD2 3.97Å; P235-Y265 HydrophobicContact CG-CE1 4.21Å; P235-Y265 HydrophobicContact CG-CE2 4.44Å; P235-Y265 HydrophobicContact CG-CG 3.56Å; L240-Y265 HydrophobicContact CD1-CD1 4.11Å; L240-Y265 HydrophobicContact CD1-CE1 3.83Å; L240-Y265 HydrophobicContact CD2-CD1 4.02Å; L240-Y265 HydrophobicContact CD2-CE1 4.46Å; H259-Y265 WeakPolarHBondContact O-CA 3.41Å; R260-Y265 HydrophobicContact CB-CD1 4.19Å; R260-Y265 HydrophobicContact CB-CE1 4.28Å; R260-Y265 HydrophobicContact CG-CD1 4.2Å; R260-Y265 HydrophobicContact CG-CE1 3.99Å; R260-Y265 PolarHBondContact NH2-OH 2.92Å; R260-Y265 VanDerWaalsContact NH2-OH 3.1Å |
| 266 | V | 98.2 | Very high | 97.4 | Very high | 78 Ų | 78 | 96.5 Ų | 96.5 | 47% | 0.473 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.8 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | T258 H259 | T258-V266 WeakPolarHBondContact CA-O 3.19Å; H259-V266 PolarHBondContact N-O 2.87Å; H259-V266 PolarHBondContact O-N 3.14Å |
| 267 | T | 98.4 | Very high | 97.4 | Very high | 29 Ų | 29 | 101.1 Ų | 101.1 | 18% | 0.178 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 112.2 | 170.3 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | L219 L232 A257 T258 L269 | L219-T267 HydrophobicContact CD1-CG2 3.98Å; L219-T267 HydrophobicContact CD2-CG2 3.91Å; L219-T267 HydrophobicContact CG-CG2 4.04Å; L232-T267 HydrophobicContact CD1-CG2 4.34Å; L232-T267 WeakPolarHBondContact CD1-OG1 3.48Å; A257-T267 WeakPolarHBondContact O-CA 3.45Å; T258-T267 WeakPolarHBondContact CG2-OG1 3.5Å; T258-T267 PolarHBondContact OG1-OG1 3.4Å; T267-L269 HydrophobicContact CG2-CD1 4.26Å |
| 268 | T | 98.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 106.2 Ų | 106.2 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 134.5 | 179.4 | -53.3 | 0 | 0 | 0 | 0 | 109.2 | S256 A257 | S256-T268 WeakPolarHBondContact CA-O 3.46Å; S256-T268 WeakPolarHBondContact CB-O 3.5Å; A257-T268 PolarHBondContact N-O 3.41Å; A257-T268 PolarHBondContact O-N 3.47Å |
| 269 | L | 98.1 | Very high | 97.3 | Very high | 96 Ų | 96 | 112.8 Ų | 112.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 133.2 | 171.3 | -72.1 | 77.1 | 0 | 0 | 0 | 108.7 | L219 L255 T267 | L219-L269 HydrophobicContact CD1-CD1 4.03Å; L219-L269 HydrophobicContact CD1-CD2 4.34Å; L219-L269 HydrophobicContact CD1-CG 4.25Å; L219-L269 HydrophobicContact CD2-CD1 4.38Å; L255-L269 CarbonylContact O-C 3.55Å; L255-L269 WeakPolarHBondContact O-CA 3.37Å; T267-L269 HydrophobicContact CG2-CD1 4.26Å |
| 270 | L | 97.7 | Very high | 97.2 | Very high | 99 Ų | 99 | 114.3 Ų | 114.3 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.4 | 173.7 | 175.8 | 66.3 | 0 | 0 | 0 | 108.8 | V254 L255 | V254-L270 WeakPolarHBondContact CA-O 3.49Å; L255-L270 PolarHBondContact N-O 3.21Å; L255-L270 PolarHBondContact O-N 3.49Å |
| 271 | C | 97.2 | Very high | 97.1 | Very high | 85 Ų | 85 | 113.9 Ų | 113.9 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.9 | 118.3 | 170.8 | -58.4 | 0 | 0 | 0 | 0 | 108.5 | V252 M253 | V252-C271 HydrophobicContact CG1-CB 4.23Å; M253-C271 WeakPolarHBondContact O-CA 3.42Å |
| 272 | K | 97 | Very high | 97 | Very high | 135 Ų | 135 | 110.8 Ų | 110.8 | 59% | 0.587 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -131.8 | 127 | -177.4 | -175.9 | 176.7 | 173.5 | 176 | 0 | 110.8 | M253 | M253-K272 PolarHBondContact N-O 2.98Å; M253-K272 PolarHBondContact O-N 3.13Å |
| 273 | P | 95.8 | Very high | 97.1 | Very high | 97 Ų | 97 | 106.1 Ų | 106.1 | 63% | 0.63 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 149.1 | 170.7 | -20.7 | 32.7 | 0 | 0 | 0 | 112.1 | G251 | G251-P273 WeakPolarHBondContact O-CA 3.43Å |
| 274 | I | 90.2 | Very high | 97 | Very high | 152 Ų | 152 | 97.9 Ų | 97.9 | 78% | 0.779 | 52% | 0.517 | S | S | * | . | trans | -101.1 | 0 | 177.3 | -53.5 | -178 | 0 | 0 | 0 | 110.4 | I248 G251 M253 | I248-I274 HydrophobicContact CB-CD1 4.3Å; I248-I274 HydrophobicContact CD1-CD1 3.46Å; I248-I274 VanDerWaalsContact CD1-CD1 3.46Å; I248-I274 HydrophobicContact CG1-CD1 3.8Å; I248-I274 HydrophobicContact CG2-CD1 3.52Å; G251-I274 PolarHBondContact O-N 3.02Å; M253-I274 HydrophobicContact CB-CD1 4.04Å; M253-I274 HydrophobicContact CB-CG1 4.05Å; M253-I274 HydrophobicContact CE-CD1 4.05Å; M253-I274 HydrophobicContact CE-CG1 4.42Å |
Retrieved 274 of 274 residues in 159.2 ms
(Link to these results)