| 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 | 34.7 | Very low | 40 | Very low | 245 Ų | 245 | 137 Ų | 137 | 100% | 1.207 | 84% | 0.838 | S | S | * | * | 0 | 164.5 | 0 | -72 | 162.5 | 71.9 | 0 | 0 | 108.3 | |||||
| 2 | S | 35.3 | Very low | 39.5 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -70.8 | 161.3 | -179.3 | 43.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 3 | G | 32.8 | Very low | 39.3 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 140.6 | 92.6 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 4 | S | 36.7 | Very low | 39.1 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -82.9 | 179.3 | 145.7 | -27.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 5 | P | 65.6 | Low | 38.5 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -121.8 | -126.1 | -25.9 | 31.6 | -7.9 | 0 | 0 | 0 | 106.9 | ||||
| 6 | P | 59.2 | Low | 38.4 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | cis | -131.2 | -175.9 | -30.8 | 33.7 | -12.3 | 0 | 0 | 0 | 115.9 | ||||
| 7 | L | 36.1 | Very low | 38 | Very low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -28.5 | 148.9 | 168.7 | -63.3 | 167.5 | 0 | 0 | 0 | 122.3 | ||||
| 8 | T | 36.1 | Very low | 37.8 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 71.1 | 108.6 | 137.6 | 51.9 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 9 | A | 35.1 | Very low | 37.4 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -155.8 | 145.9 | 131 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 10 | R | 32.9 | Very low | 37.2 | Very low | 248 Ų | 248 | 136.2 Ų | 136.2 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | 60.9 | 136.8 | 61.3 | -109 | -176.1 | 169.4 | 179.8 | -3.9 | 112.5 | |||||
| 11 | A | 35.6 | Very low | 36.8 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 67% | 0.669 | 80% | 0.801 | S | S | * | * | cis | -156.3 | -147.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | E | 34.3 | Very low | 36.5 | Very low | 156 Ų | 156 | 126 Ų | 126 | 73% | 0.729 | 79% | 0.786 | S | S | * | * | trans | 83.7 | 142.4 | 165.3 | -50.7 | -139.8 | 125.4 | 0 | 0 | 117.6 | ||||
| 13 | K | 36.8 | Very low | 36.1 | Very low | 151 Ų | 151 | 124 Ų | 124 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | cis | -157.2 | 149.6 | -3.3 | -126.2 | 169.2 | -177.3 | 139.3 | 0 | 112.4 | ||||
| 14 | V | 36.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 41.9 | 132 | 133.2 | 166.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 15 | S | 30.2 | Very low | 35.4 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | cis | -151.6 | -172.1 | 8.7 | -130.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 16 | V | 36.9 | Very low | 33.7 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | cis | -140 | -172 | 7.5 | -121.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 17 | D | 32.2 | Very low | 32 | Very low | 144 Ų | 144 | 132 Ų | 132 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | cis | -150.4 | -161.3 | 7.7 | -141.6 | -57.2 | 0 | 0 | 0 | 111.4 | ||||
| 18 | A | 33.3 | Very low | 31.4 | Very low | 92 Ų | 92 | 133.2 Ų | 133.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -78.3 | 161 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 19 | G | 31 | Very low | 31.1 | Very low | 65 Ų | 65 | 130.8 Ų | 130.8 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 145.5 | 128.9 | -13.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 20 | R | 32.4 | Very low | 30.7 | Very low | 262 Ų | 262 | 131.6 Ų | 131.6 | 99% | 0.989 | 78% | 0.78 | S | S | * | * | trans | 65.9 | 147.4 | 171.6 | -56.9 | -179.8 | 173.6 | -141.4 | -1.9 | 116.7 | ||||
| 21 | G | 29.1 | Very low | 31.3 | Very low | 81 Ų | 81 | 125 Ų | 125 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | cis | 154 | 155.6 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 22 | G | 27.9 | Very low | 30.9 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | 98.2 | 165.9 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 23 | G | 27.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | trans | 113.5 | 106.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 24 | E | 28.1 | Very low | 30.1 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -80.7 | 163 | 167.9 | -66.3 | 155.9 | 86.3 | 0 | 0 | 112.4 | ||||
| 25 | S | 27.2 | Very low | 29.6 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | 41.2 | 115.7 | 144 | -169.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 26 | L | 29.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | -162.3 | 162.4 | 129.5 | -108.6 | 168.4 | 0 | 0 | 0 | 113.7 | |||||
| 27 | Q | 23.5 | Very low | 28.9 | Very low | 146 Ų | 146 | 129 Ų | 129 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | trans | -61.9 | 158.7 | -175.5 | -64.5 | 150 | -28.4 | 0 | 0 | 116.1 | ||||
| 28 | E | 23.9 | Very low | 28.7 | Very low | 175 Ų | 175 | 127.2 Ų | 127.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 62.1 | 152.7 | 134.6 | -73.8 | 176.6 | 98.2 | 0 | 0 | 121 | ||||
| 29 | A | 28.7 | Very low | 28.6 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | cis | -154.6 | 166.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 30 | S | 26.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -57.1 | 158 | 174.5 | -41 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 31 | P | 45.5 | Very low | 28.3 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | -137.3 | 162.1 | 95.5 | 23.3 | -4.1 | 0 | 0 | 0 | 113.2 | |||||
| 32 | R | 27.9 | Very low | 28.1 | Very low | 217 Ų | 217 | 122.3 Ų | 122.3 | 82% | 0.819 | 78% | 0.782 | S | S | * | * | cis | -163.1 | 148.7 | -6.7 | -114.2 | 166 | -165.4 | 170.5 | 4.3 | 110 | ||||
| 33 | L | 27.9 | Very low | 28.1 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 35.5 | 145.2 | 136.6 | -63.3 | 170.9 | 0 | 0 | 0 | 123.3 | ||||
| 34 | A | 26.8 | Very low | 28 | Very low | 85 Ų | 85 | 128.8 Ų | 128.8 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | 73.2 | 127.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 35 | D | 24.4 | Very low | 28 | Very low | 133 Ų | 133 | 127.2 Ų | 127.2 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | cis | 85.1 | 146.5 | 38.7 | -165.5 | 15.9 | 0 | 0 | 0 | 112.8 | ||||
| 36 | H | 28.7 | Very low | 28.1 | Very low | 162 Ų | 162 | 127.7 Ų | 127.7 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | trans | 72.9 | 135.3 | -174 | -38.1 | -31.8 | 0 | 0 | 0 | 114.4 | ||||
| 37 | G | 24.9 | Very low | 28 | Very low | 66 Ų | 66 | 130.4 Ų | 130.4 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | cis | 130.2 | 151.5 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 38 | S | 27.6 | Very low | 28.2 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 65.8 | 132.1 | 178.6 | -53 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 39 | S | 31.6 | Very low | 28.3 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | cis | 56.2 | 56.9 | 4.6 | -169.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 40 | S | 29 | Very low | 28.4 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -122.2 | 125.3 | 150.1 | -64.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 41 | G | 27.2 | Very low | 28.4 | Very low | 81 Ų | 81 | 139 Ų | 139 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | cis | 113.5 | 137.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 42 | G | 25.1 | Very low | 27.5 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 146.8 | 107.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 43 | G | 27.3 | Very low | 27.5 | Very low | 79 Ų | 79 | 138.3 Ų | 138.3 | 81% | 0.814 | 77% | 0.77 | S | S | * | * | trans | -175.5 | 46 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 44 | W | 26 | Very low | 27.6 | Very low | 228 Ų | 228 | 142.1 Ų | 142.1 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -80.2 | 143.5 | -173.3 | -76.1 | 85.9 | 0 | 0 | 0 | 113.4 | ||||
| 45 | E | 27.5 | Very low | 27.6 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | trans | 71.4 | 104.3 | 146.4 | -74.4 | 177.5 | 122.7 | 0 | 0 | 123.2 | ||||
| 46 | V | 29.7 | Very low | 28.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | 56.5 | 110.9 | 112.8 | 178.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 47 | K | 29 | Very low | 28.6 | Very low | 206 Ų | 206 | 138.5 Ų | 138.5 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | -159.4 | 145.7 | 122.2 | -109.9 | 146.4 | -169.6 | 162.2 | 0 | 115.4 | |||||
| 48 | R | 26.6 | Very low | 28.9 | Very low | 236 Ų | 236 | 140.8 Ų | 140.8 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | -56.1 | 147.4 | 172.6 | -60.8 | 165.2 | 163.1 | 178 | -6.5 | 112.6 | ||||
| 49 | S | 27.4 | Very low | 29.8 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | 153.9 | 129.5 | 111.7 | -74.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 50 | Q | 29.4 | Very low | 29.7 | Very low | 160 Ų | 160 | 146 Ų | 146 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 68.1 | 110.6 | 131.9 | -61.2 | -179.3 | 78 | 0 | 0 | 123.6 | ||||
| 51 | R | 26.9 | Very low | 29.8 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | 61.6 | 117.8 | 122.5 | -64.1 | -169.8 | -163.3 | -89.6 | 4.7 | 122.7 | |||||
| 52 | L | 27.6 | Very low | 30.9 | Very low | 118 Ų | 118 | 152.9 Ų | 152.9 | 62% | 0.618 | 78% | 0.781 | S | S | * | * | 87.2 | 131 | 121.3 | -72 | 174.5 | 0 | 0 | 0 | 124 | |||||
| 53 | R | 27.8 | Very low | 31 | Very low | 194 Ų | 194 | 158.7 Ų | 158.7 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | trans | 91.9 | 119.1 | 139.2 | -76.9 | 171.8 | -167.6 | -89.9 | -0.1 | 123.1 | ||||
| 54 | R | 28.2 | Very low | 31.2 | Very low | 235 Ų | 235 | 162 Ų | 162 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | 78.9 | 137.8 | 131.8 | -76.7 | -173.3 | 165.5 | -164.5 | -5.1 | 122.2 | ||||
| 55 | G | 28 | Very low | 31.3 | Very low | 74 Ų | 74 | 157 Ų | 157 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | trans | -177.4 | 144.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 56 | P | 41.8 | Very low | 31.3 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | trans | -131.6 | 126.7 | 170.5 | 36.7 | -21.4 | 0 | 0 | 0 | 116.6 | ||||
| 57 | S | 32.2 | Very low | 31.2 | Very low | 108 Ų | 108 | 158 Ų | 158 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 43.8 | 134.9 | 141.7 | 65.3 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 58 | S | 30.9 | Very low | 31.1 | Very low | 115 Ų | 115 | 156.9 Ų | 156.9 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 80 | 161.7 | 137.5 | -78.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 59 | P | 47.3 | Very low | 31.4 | Very low | 109 Ų | 109 | 151.5 Ų | 151.5 | 71% | 0.708 | 74% | 0.739 | S | S | * | * | cis | -140.3 | 162.2 | -0.7 | 30.3 | -6.9 | 0 | 0 | 0 | 120.8 | ||||
| 60 | R | 29.7 | Very low | 31.4 | Very low | 232 Ų | 232 | 156.1 Ų | 156.1 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | trans | 68.1 | 116 | 138.7 | -72.4 | 172.5 | 177.4 | -127.8 | -1.6 | 127.3 | ||||
| 61 | R | 29.7 | Very low | 31.4 | Very low | 238 Ų | 238 | 159.3 Ų | 159.3 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | 53.3 | 178.2 | 125.6 | -81.8 | -174.1 | -179.8 | -103.2 | 2 | 122.2 | |||||
| 62 | P | 51.8 | Low | 31.4 | Very low | 98 Ų | 98 | 153.1 Ų | 153.1 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | cis | -136.7 | -159.5 | -8 | 23.1 | 5.7 | 0 | 0 | 0 | 117.4 | ||||
| 63 | Y | 27.1 | Very low | 31.5 | Very low | 201 Ų | 201 | 150.1 Ų | 150.1 | 79% | 0.788 | 75% | 0.747 | S | S | * | * | trans | 80.3 | 174.1 | 168.4 | -70.6 | -96.7 | 0 | 0 | 0 | 119.6 | ||||
| 64 | Q | 31.1 | Very low | 31.7 | Very low | 150 Ų | 150 | 150.3 Ų | 150.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | 176.3 | 164.9 | -64.5 | -105.4 | -171.3 | -74.6 | 0 | 0 | 111 | |||||
| 65 | D | 27.4 | Very low | 31.7 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 73% | 0.732 | S | S | * | * | cis | -169.1 | 170.7 | -15.9 | -143.5 | -35.1 | 0 | 0 | 0 | 113.4 | ||||
| 66 | M | 27.3 | Very low | 31.9 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | trans | 60.9 | 173 | 163.6 | -41.1 | -149.3 | -50.6 | 0 | 0 | 121.5 | ||||
| 67 | E | 28.2 | Very low | 31.5 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | cis | -157.9 | 165.3 | -6.3 | -140.9 | -161.5 | 131 | 0 | 0 | 115.7 | ||||
| 68 | Y | 26.1 | Very low | 31.4 | Very low | 182 Ų | 182 | 149 Ų | 149 | 71% | 0.714 | 73% | 0.728 | S | S | * | * | trans | 38.2 | 139.6 | 154.7 | 97 | -47.1 | 0 | 0 | 0 | 130.6 | ||||
| 69 | E | 32.9 | Very low | 31.2 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 58% | 0.575 | 72% | 0.72 | S | S | * | * | trans | 87.8 | 143.5 | 137.4 | -98.3 | -156.1 | 144.3 | 0 | 0 | 129 | ||||
| 70 | R | 28.7 | Very low | 30.4 | Very low | 190 Ų | 190 | 152 Ų | 152 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | trans | 75.8 | 150 | 153 | -73.6 | 174.9 | -152.5 | -91.3 | -24.4 | 121 | ||||
| 71 | R | 29 | Very low | 30.3 | Very low | 226 Ų | 226 | 151 Ų | 151 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | cis | -172.7 | 132.9 | -11.7 | 174.9 | -173.5 | -161.6 | -158 | 6.4 | 114.1 | ||||
| 72 | G | 26.1 | Very low | 30.2 | Very low | 80 Ų | 80 | 143.1 Ų | 143.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | 69.5 | 164.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 73 | G | 31.2 | Very low | 29 | Very low | 56 Ų | 56 | 143.2 Ų | 143.2 | 58% | 0.577 | 73% | 0.726 | S | S | * | * | cis | 143.4 | 124.1 | -18.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 74 | R | 31.1 | Very low | 29 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | trans | 114.7 | 145.9 | 169 | -66 | 167.9 | -178 | -169.4 | 1.6 | 114.3 | H691 E693 | R74-H691 WeakPolarHBondContact CA-CE1 3.47Å; R74-H691 PolarHBondContact N-CE1 3.32Å; R74-H691 PolarHBondContact N-NE2 2.79Å; R74-E693 IonicContact CZ-OE1 2.76Å; R74-E693 IonicContact NE-OE1 2.79Å; R74-E693 PolarHBondContact NE-OE1 3.46Å; R74-E693 IonicContact NH2-OE1 2.77Å; R74-E693 PolarHBondContact NH2-OE1 3.22Å | ||
| 75 | G | 28.6 | Very low | 28.8 | Very low | 54 Ų | 54 | 138.2 Ų | 138.2 | 56% | 0.557 | 72% | 0.723 | S | S | * | * | cis | 165.6 | 149.8 | -12.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 76 | D | 31.3 | Very low | 28.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | trans | 58.6 | 128 | 146.7 | -84.6 | 43.3 | 0 | 0 | 0 | 126.6 | H691 | D76-H691 WeakPolarHBondContact OD1-CB 3.42Š| ||
| 77 | R | 33.9 | Very low | 28.6 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | 98.2 | 123.1 | 127 | -75.6 | 170.7 | -167 | -144.2 | -4.5 | 125.7 | |||||
| 78 | T | 29.7 | Very low | 28.5 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 87% | 0.865 | 73% | 0.727 | S | S | * | * | trans | 66.3 | 148.1 | 137.2 | 57.8 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 79 | G | 28 | Very low | 28.5 | Very low | 61 Ų | 61 | 137.9 Ų | 137.9 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | cis | 147.7 | 149.2 | -12.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 80 | R | 28.8 | Very low | 28.2 | Very low | 227 Ų | 227 | 139.9 Ų | 139.9 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | trans | 73.8 | 158.6 | 169.7 | -136.1 | 166.5 | -87 | -130 | -5.6 | 114.8 | ||||
| 81 | Y | 27.5 | Very low | 28.1 | Very low | 210 Ų | 210 | 133.9 Ų | 133.9 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | cis | -153.7 | 166.1 | 25.9 | -47.1 | -106.6 | 0 | 0 | 0 | 114.4 | ||||
| 82 | G | 27.8 | Very low | 28.1 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | trans | 89.4 | 143.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 83 | A | 26.9 | Very low | 28.1 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | cis | 67.6 | 141.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 84 | T | 27.5 | Very low | 28 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -128.8 | -164.3 | 6.8 | 46.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 85 | D | 27.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -154.4 | -129 | 11.8 | -163.5 | -106.2 | 0 | 0 | 0 | 113.5 | ||||
| 86 | R | 24.9 | Very low | 28.2 | Very low | 201 Ų | 201 | 139.4 Ų | 139.4 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -101.5 | -178.3 | -172.7 | -57.1 | 162.2 | -175.1 | 87.1 | -0.5 | 112.8 | ||||
| 87 | S | 25.3 | Very low | 28.1 | Very low | 96 Ų | 96 | 145 Ų | 145 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -163.5 | 165.6 | 21.5 | -33.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 88 | Q | 26.8 | Very low | 28 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 62.7 | 128.5 | 142.9 | -114.3 | 63.7 | 34.7 | 0 | 0 | 124.1 | ||||
| 89 | D | 25.6 | Very low | 28.2 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | trans | 68.6 | 137.6 | 139.3 | -63.9 | -10.3 | 0 | 0 | 0 | 126 | ||||
| 90 | D | 27.2 | Very low | 28.3 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | 64.3 | 134.1 | 148.7 | -130 | -76.9 | 0 | 0 | 0 | 123.6 | ||||
| 91 | G | 26.4 | Very low | 28.2 | Very low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | 97.1 | 123.6 | 128.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 92 | G | 27.2 | Very low | 28.4 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | trans | 101.3 | 105 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 93 | E | 27.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | 19.9 | 108.5 | 133.9 | -56 | -171.9 | 124.8 | 0 | 0 | 120.4 | ||||
| 94 | N | 29.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | 29.9 | 106.5 | 123.6 | 178.9 | 31.8 | 0 | 0 | 0 | 118.5 | |||||
| 95 | R | 28.2 | Very low | 29.3 | Very low | 233 Ų | 233 | 149.8 Ų | 149.8 | 88% | 0.879 | 75% | 0.754 | S | S | * | * | trans | -149.8 | 118.4 | 154.5 | -104 | 162.7 | -165.2 | 124 | 7 | 112 | ||||
| 96 | S | 35.1 | Very low | 29.3 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -70.1 | 154.1 | 166.7 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 97 | R | 30.1 | Very low | 29.7 | Very low | 224 Ų | 224 | 153.2 Ų | 153.2 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -152.6 | 102.9 | 152.4 | -132.9 | 164.9 | -174.5 | 161.3 | 5.2 | 110.5 | ||||
| 98 | D | 30.7 | Very low | 29.9 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 58% | 0.583 | 75% | 0.748 | S | S | * | * | 71.8 | 116.1 | 102.1 | -52.8 | -20 | 0 | 0 | 0 | 110.9 | |||||
| 99 | H | 33.4 | Very low | 30 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 73% | 0.731 | 75% | 0.751 | S | S | * | * | cis | 72.3 | 111.9 | 48.5 | -77.9 | -63.1 | 0 | 0 | 0 | 116 | ||||
| 100 | D | 31.6 | Very low | 30.7 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | -146.8 | 127.5 | 147.6 | -87.3 | -36.6 | 0 | 0 | 0 | 103.2 | ||||
| 101 | Y | 26.9 | Very low | 30.8 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | cis | 55.6 | 127.9 | 24.2 | -81.2 | -65.1 | 0 | 0 | 0 | 112.2 | ||||
| 102 | R | 30.3 | Very low | 30.9 | Very low | 202 Ų | 202 | 161.3 Ų | 161.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -162.8 | 150.3 | 6.9 | -173.4 | -175.2 | -126.9 | 135.9 | -6.1 | 106.8 | ||||
| 103 | D | 30.2 | Very low | 31.1 | Very low | 163 Ų | 163 | 168.7 Ų | 168.7 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -160.8 | 127.1 | 135.3 | -114.4 | -4.1 | 0 | 0 | 0 | 113 | ||||
| 104 | M | 35.6 | Very low | 31.1 | Very low | 161 Ų | 161 | 163.6 Ų | 163.6 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | -141.7 | 123.1 | 169.3 | -98.7 | -89.1 | -76.2 | 0 | 0 | 104.4 | ||||
| 105 | D | 35.1 | Very low | 31.1 | Very low | 129 Ų | 129 | 162.4 Ų | 162.4 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | trans | -161.5 | 126 | 156.6 | -110.3 | 3.8 | 0 | 0 | 0 | 106.3 | R107 | D105-R107 IonicContact OD2-NH1 2.64Å; D105-R107 PolarHBondContact OD2-NH1 3.03Å; D105-R107 VanDerWaalsContact OD2-NH1 3.07Å | ||
| 106 | Y | 28.9 | Very low | 31 | Very low | 189 Ų | 189 | 159.4 Ų | 159.4 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | cis | 80.9 | 103.3 | 34.1 | -164.3 | -81.4 | 0 | 0 | 0 | 114.1 | ||||
| 107 | R | 32.8 | Very low | 30.8 | Very low | 198 Ų | 198 | 163 Ų | 163 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | trans | 172.8 | 148.2 | 155.5 | -99.1 | 147.4 | 178.1 | 116.4 | 2.3 | 111.2 | D105 | D105-R107 IonicContact OD2-NH1 2.64Å; D105-R107 PolarHBondContact OD2-NH1 3.03Å; D105-R107 VanDerWaalsContact OD2-NH1 3.07Å | ||
| 108 | S | 28.4 | Very low | 30.6 | Very low | 62 Ų | 62 | 156.2 Ų | 156.2 | 43% | 0.434 | 76% | 0.764 | S | S | . | * | cis | -178.8 | 158 | -17.3 | -120.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 109 | Y | 28.9 | Very low | 30.5 | Very low | 209 Ų | 209 | 159.7 Ų | 159.7 | 82% | 0.82 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 170.7 | 139.6 | -75.7 | -46.2 | 0 | 0 | 0 | 121.7 | ||||
| 110 | P | 41.8 | Very low | 30.3 | Very low | 106 Ų | 106 | 158.2 Ų | 158.2 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | cis | -137.4 | 159.7 | -25.6 | 29.9 | -11.4 | 0 | 0 | 0 | 116 | ||||
| 111 | R | 28.8 | Very low | 30.2 | Very low | 237 Ų | 237 | 156.5 Ų | 156.5 | 89% | 0.894 | 76% | 0.758 | S | S | * | * | -178.1 | 150.5 | 115.7 | -109.8 | -173.8 | 173.2 | -163.3 | -3.4 | 114.5 | |||||
| 112 | E | 28.1 | Very low | 30.2 | Very low | 181 Ų | 181 | 158.9 Ų | 158.9 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | -122.3 | 159.8 | 161.8 | -60.1 | 173.2 | 148.3 | 0 | 0 | 108.2 | ||||
| 113 | Y | 31.7 | Very low | 30 | Very low | 228 Ų | 228 | 156.1 Ų | 156.1 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | trans | -166.3 | 129.4 | 146 | -137.3 | -93.2 | 0 | 0 | 0 | 114.1 | ||||
| 114 | G | 26.3 | Very low | 29.7 | Very low | 69 Ų | 69 | 155 Ų | 155 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | trans | 70.2 | 124.8 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 115 | S | 30 | Very low | 29.3 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -126.9 | 133.6 | 160 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 116 | Q | 27.2 | Very low | 29.1 | Very low | 170 Ų | 170 | 150 Ų | 150 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | trans | -162.2 | 108.1 | 164.7 | -146.1 | 118.8 | 35.8 | 0 | 0 | 109.2 | ||||
| 117 | E | 29.4 | Very low | 29 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | 68.9 | 128.9 | 102.1 | -62.9 | -175.7 | 115.9 | 0 | 0 | 116.9 | |||||
| 118 | G | 27 | Very low | 28.8 | Very low | 83 Ų | 83 | 147.5 Ų | 147.5 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -179.5 | 147.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 119 | K | 28.2 | Very low | 28.6 | Very low | 182 Ų | 182 | 153.9 Ų | 153.9 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -145.1 | 151.2 | -162 | -152.5 | -173.4 | 179.7 | -139 | 0 | 113.6 | ||||
| 120 | H | 28.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 58% | 0.583 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 109.6 | 166.4 | -71.9 | -73 | 0 | 0 | 0 | 121.1 | ||||
| 121 | D | 29.9 | Very low | 27.8 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 66% | 0.658 | 78% | 0.783 | S | S | * | * | 67.3 | 155.8 | 113.4 | -51.8 | -6.1 | 0 | 0 | 0 | 125 | |||||
| 122 | Y | 27.9 | Very low | 27.7 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | 74.1 | 152.6 | 176.4 | -58.6 | -88.2 | 0 | 0 | 0 | 117.8 | ||||
| 123 | D | 26.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | cis | -172.3 | 166.5 | -36.8 | -159.7 | -0.5 | 0 | 0 | 0 | 108.3 | ||||
| 124 | D | 23.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 70.5 | 171.6 | 161 | -150.5 | 15.7 | 0 | 0 | 0 | 120.5 | ||||
| 125 | S | 27.3 | Very low | 27.2 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -87.1 | -173.3 | -155 | -51.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 126 | S | 29.6 | Very low | 27 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | cis | -158.5 | 165.3 | 21.4 | -42 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 127 | E | 28.1 | Very low | 27 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | 49.8 | 110 | 136.9 | -69.1 | 168.7 | 142.1 | 0 | 0 | 119.7 | ||||
| 128 | E | 27.8 | Very low | 27 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | 80.6 | 127.4 | 91 | -75.4 | -151.2 | 157.9 | 0 | 0 | 116.1 | |||||
| 129 | Q | 25.3 | Very low | 27.2 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | -168.2 | 154.7 | 119.1 | -106.4 | 157.5 | 51.8 | 0 | 0 | 113.7 | |||||
| 130 | S | 26.1 | Very low | 27 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | -112.5 | 147.7 | 176 | -60.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 131 | A | 27.4 | Very low | 26.9 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | trans | -163.7 | 119.9 | 159 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 132 | E | 26 | Very low | 26.7 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | 87 | 122.5 | 60 | -74.5 | 179.8 | 165.1 | 0 | 0 | 113.9 | |||||
| 133 | D | 24.1 | Very low | 26.6 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 63.6 | 154.8 | 149.5 | -86.3 | -16.5 | 0 | 0 | 0 | 121.8 | ||||
| 134 | S | 26.1 | Very low | 26.8 | Very low | 81 Ų | 81 | 131.3 Ų | 131.3 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | cis | -167.4 | -175.4 | -26.7 | -126.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 135 | Y | 25.6 | Very low | 26.8 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | trans | 66.4 | 124.4 | 152 | 77 | -96.7 | 0 | 0 | 0 | 122.4 | ||||
| 136 | E | 26 | Very low | 26.8 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 60.9 | 150.8 | 142.8 | -64.7 | -174.8 | 171.3 | 0 | 0 | 120.9 | ||||
| 137 | A | 27.8 | Very low | 26.6 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | cis | -140.5 | 145.9 | 5.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 138 | S | 28.1 | Very low | 26.4 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -90.1 | 145.8 | 142.5 | -76.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 139 | P | 31.7 | Very low | 26.5 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | -136.2 | 160.5 | 65.1 | 40.2 | -24.6 | 0 | 0 | 0 | 113.3 | |||||
| 140 | G | 25.4 | Very low | 26.5 | Very low | 76 Ų | 76 | 150.3 Ų | 150.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | 96.1 | 171.6 | 83.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 141 | S | 25.3 | Very low | 26.4 | Very low | 101 Ų | 101 | 152.5 Ų | 152.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | cis | -143.7 | 142 | -10.2 | 76.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 142 | E | 26.4 | Very low | 26.3 | Very low | 152 Ų | 152 | 158.2 Ų | 158.2 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | 86.7 | 93.2 | 105.8 | -170.7 | -173.5 | 161.8 | 0 | 0 | 115.9 | |||||
| 143 | T | 25.8 | Very low | 26.2 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | trans | 72.5 | 177.9 | 148.9 | 78.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 144 | Q | 29.5 | Very low | 26.2 | Very low | 123 Ų | 123 | 154.8 Ų | 154.8 | 58% | 0.575 | 75% | 0.752 | S | S | * | * | cis | -149.1 | 134.8 | 9.5 | -149.7 | 159.8 | 124 | 0 | 0 | 115.4 | ||||
| 145 | R | 24.6 | Very low | 27.7 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | 46.5 | 119.2 | 144.9 | -68.5 | 173.4 | -171.3 | 162.7 | -6.9 | 121 | ||||
| 146 | R | 26.4 | Very low | 28 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | 84.2 | 116.1 | 119.4 | -71.3 | 179 | 172.5 | -159.3 | -0.4 | 121.7 | |||||
| 147 | R | 24.8 | Very low | 27.9 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 70% | 0.698 | 76% | 0.762 | S | S | * | * | 74.3 | 131.2 | 118.7 | -69.6 | -179.3 | 169.8 | -167.5 | -3.8 | 121.2 | |||||
| 148 | R | 25.4 | Very low | 28.6 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | trans | 73.8 | 119.9 | 152 | -66.7 | 170.5 | 176.1 | -164.6 | -4.1 | 115.3 | ||||
| 149 | R | 28.1 | Very low | 29.3 | Very low | 243 Ų | 243 | 150.5 Ų | 150.5 | 92% | 0.917 | 76% | 0.764 | S | S | * | * | 73 | 97.5 | 62.7 | -80.4 | -160 | 177.7 | -157.3 | 2.9 | 114.8 | |||||
| 150 | R | 25.4 | Very low | 29.2 | Very low | 225 Ų | 225 | 148.1 Ų | 148.1 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | trans | -170 | 130.6 | 134.4 | -99.5 | 162.2 | -173.8 | -92.6 | -1.3 | 106.9 | ||||
| 151 | H | 25.1 | Very low | 29.5 | Very low | 169 Ų | 169 | 154.3 Ų | 154.3 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | 49.2 | 129.7 | 88.2 | -61.4 | -68.8 | 0 | 0 | 0 | 112.3 | |||||
| 152 | R | 24.8 | Very low | 30.3 | Very low | 209 Ų | 209 | 155 Ų | 155 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | cis | -165.7 | 166 | 33.9 | -164.2 | 162.8 | -165.3 | -168.2 | 4 | 113.4 | ||||
| 153 | H | 24.7 | Very low | 30.6 | Very low | 149 Ų | 149 | 158 Ų | 158 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -17.2 | 135.1 | 171.9 | -39.1 | -54.1 | 0 | 0 | 0 | 118.5 | ||||
| 154 | S | 23.6 | Very low | 31 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | 101.9 | 169.1 | 65 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 155 | P | 57.5 | Low | 31.1 | Very low | 109 Ų | 109 | 155.4 Ų | 155.4 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | -130.5 | 168.8 | -61.9 | 38.4 | -24.7 | 0 | 0 | 0 | 115.5 | |||||
| 156 | T | 31.6 | Very low | 31.3 | Very low | 158 Ų | 158 | 153.9 Ų | 153.9 | 97% | 0.969 | 78% | 0.782 | S | S | * | * | trans | -176 | 162.1 | 147 | 9.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 157 | G | 24.3 | Very low | 31.8 | Very low | 73 Ų | 73 | 155.9 Ų | 155.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | -134.4 | -138.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 158 | P | 41.6 | Very low | 32.2 | Very low | 128 Ų | 128 | 158.3 Ų | 158.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -115.6 | -154.7 | -123.2 | 45.2 | -34.4 | 0 | 0 | 0 | 113.4 | |||||
| 159 | P | 43.1 | Very low | 32.6 | Very low | 116 Ų | 116 | 154.4 Ų | 154.4 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | cis | -137 | -172.3 | -6.7 | 44.2 | -26.2 | 0 | 0 | 0 | 116.4 | ||||
| 160 | G | 29.3 | Very low | 32.7 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | 156.7 | 120.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 161 | F | 33 | Very low | 33.1 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -109.1 | 162.3 | -179.6 | -90.7 | -79.6 | 0 | 0 | 0 | 112.1 | ||||
| 162 | P | 42.2 | Very low | 33.3 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | -156.8 | 158 | 76 | 41.4 | -20.8 | 0 | 0 | 0 | 120.4 | |||||
| 163 | R | 32.5 | Very low | 33.7 | Very low | 213 Ų | 213 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 54.9 | 151.6 | 149.5 | -83.8 | -172.2 | 148.9 | -123.9 | -0.6 | 120.6 | ||||
| 164 | D | 34.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 149.9 Ų | 149.9 | 62% | 0.615 | 80% | 0.796 | S | S | * | * | cis | -149.9 | 157.5 | 4.5 | -101.4 | -45.8 | 0 | 0 | 0 | 110.5 | ||||
| 165 | G | 31.3 | Very low | 34.9 | Very low | 64 Ų | 64 | 154 Ų | 154 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | trans | 77.4 | 146.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 166 | D | 29.1 | Very low | 33.8 | Very low | 160 Ų | 160 | 157.4 Ų | 157.4 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | cis | -146.8 | 171 | -2.8 | -75.2 | -44.5 | 0 | 0 | 0 | 110.8 | R168 | D166-R168 PolarHBondContact O-N 3.24Š| ||
| 167 | Y | 35.3 | Very low | 34 | Very low | 232 Ų | 232 | 151 Ų | 151 | 91% | 0.91 | 78% | 0.775 | S | S | * | * | trans | -30 | 119.5 | -179.8 | -76.1 | -100.9 | 0 | 0 | 0 | 118 | ||||
| 168 | R | 33.4 | Very low | 34.7 | Very low | 236 Ų | 236 | 154 Ų | 154 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | -161.1 | 171 | 132.3 | -125.7 | -179.8 | 175.1 | 152 | 2.3 | 114.7 | D166 | D166-R168 PolarHBondContact O-N 3.24Š| ||
| 169 | D | 34.9 | Very low | 34.4 | Very low | 137 Ų | 137 | 155.9 Ų | 155.9 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 132.4 | -163.4 | -53.7 | -79.3 | 0 | 0 | 0 | 116 | D171 | D169-D171 PolarHBondContact O-N 3.41Å; D169-D171 VanDerWaalsContact O-N 3.14Å | ||
| 170 | Q | 29.7 | Very low | 34.2 | Very low | 194 Ų | 194 | 156.1 Ų | 156.1 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | 4 | 83.6 | 148.4 | -57.7 | 176.9 | 13.1 | 0 | 0 | 118.7 | ||||
| 171 | D | 32.9 | Very low | 34.8 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | trans | -89.5 | 106.6 | 143.9 | -94.4 | -39.4 | 0 | 0 | 0 | 108.7 | D169 | D169-D171 PolarHBondContact O-N 3.41Å; D169-D171 VanDerWaalsContact O-N 3.14Å | ||
| 172 | Y | 29.6 | Very low | 35 | Very low | 238 Ų | 238 | 156.9 Ų | 156.9 | 93% | 0.933 | 75% | 0.749 | S | S | * | * | trans | -146.3 | 107.1 | 156.2 | -108 | -75 | 0 | 0 | 0 | 111 | ||||
| 173 | R | 33 | Very low | 34.9 | Very low | 229 Ų | 229 | 158.9 Ų | 158.9 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -108.5 | 124.6 | 173.6 | 174.1 | 179.4 | 175.5 | 149.5 | 3 | 108.8 | ||||
| 174 | T | 40.2 | Very low | 35.3 | Very low | 81 Ų | 81 | 157 Ų | 157 | 50% | 0.497 | 75% | 0.748 | S | S | . | * | trans | 35.2 | 111.5 | 153.2 | -42.2 | 0 | 0 | 0 | 0 | 119.2 | E178 | T174-E178 HydrophobicContact CG2-CG 4.25Å; T174-E178 WeakPolarHBondContact CG2-OE1 3.38Å | ||
| 175 | E | 33.9 | Very low | 35.3 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 92% | 0.921 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -149.4 | 35.3 | 138.8 | -74.6 | -158.2 | 162.2 | 0 | 0 | 110.4 | ||
| 176 | Q | 34 | Very low | 35.8 | Very low | 180 Ų | 180 | 163.2 Ų | 163.2 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -152.8 | 44.1 | 178.3 | -156.7 | 167.3 | 39.3 | 0 | 0 | 112.8 | ||
| 177 | G | 35.7 | Very low | 36.4 | Very low | 24 Ų | 24 | 164.3 Ų | 164.3 | 25% | 0.247 | 76% | 0.761 | C | S | . | * | S | Bend | trans | -139.7 | -6.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.1 | E181 | G177-E181 WeakPolarHBondContact O-CB 3.46Å; G177-E181 VanDerWaalsContact O-CG 3.28Å; G177-E181 WeakPolarHBondContact O-CG 3.44Å; G177-E181 PolarHBondContact O-N 3.26Å |
| 178 | E | 40.3 | Very low | 36.9 | Very low | 137 Ų | 137 | 162 Ų | 162 | 64% | 0.64 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -5.4 | -176.9 | -60.3 | 179.3 | -171.1 | 0 | 0 | 112.2 | T174 | T174-E178 HydrophobicContact CG2-CG 4.25Å; T174-E178 WeakPolarHBondContact CG2-OE1 3.38Å |
| 179 | E | 34.1 | Very low | 37.6 | Very low | 166 Ų | 166 | 159 Ų | 159 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -39.6 | 171 | -64.4 | -176.5 | 158.6 | 0 | 0 | 111.4 | ||
| 180 | D | 39.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 156.2 Ų | 156.2 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -73.5 | -26 | 176.9 | -71.1 | -24.1 | 0 | 0 | 0 | 112.9 | ||
| 181 | E | 42.5 | Very low | 40.5 | Very low | 145 Ų | 145 | 155.3 Ų | 155.3 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -79.2 | -17 | 177.2 | -75.6 | -178.3 | 179.9 | 0 | 0 | 113.3 | G177 | G177-E181 WeakPolarHBondContact O-CB 3.46Å; G177-E181 VanDerWaalsContact O-CG 3.28Å; G177-E181 WeakPolarHBondContact O-CG 3.44Å; G177-E181 PolarHBondContact O-N 3.26Å |
| 182 | E | 37.4 | Very low | 42.6 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -84.5 | -28.2 | 175.6 | -69.6 | -168.2 | 163.6 | 0 | 0 | 112.9 | ||
| 183 | E | 39.1 | Very low | 45.1 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -82.1 | -33.2 | 176.8 | -72.2 | -165.8 | 167.5 | 0 | 0 | 114.1 | ||
| 184 | E | 41 | Very low | 47.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.7 | -23.2 | 177.3 | -76.9 | -160.3 | 162.9 | 0 | 0 | 113.4 | ||
| 185 | D | 35.5 | Very low | 49.9 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.2 | -20.3 | 176.4 | -101.1 | 13 | 0 | 0 | 0 | 113.1 | ||
| 186 | E | 40.6 | Very low | 52.6 | Low | 167 Ų | 167 | 119.6 Ų | 119.6 | 78% | 0.78 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -82 | -24.8 | 176.6 | -74.9 | -160.9 | 156.7 | 0 | 0 | 113.9 | ||
| 187 | E | 42.1 | Very low | 55.2 | Low | 182 Ų | 182 | 112.3 Ų | 112.3 | 85% | 0.85 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -83.4 | -5.5 | 177.7 | -80.2 | -153.9 | 161.2 | 0 | 0 | 115 | E189 | E187-E189 PolarHBondContact O-N 3.27Š|
| 188 | E | 46.3 | Very low | 57.8 | Low | 183 Ų | 183 | 111.2 Ų | 111.2 | 86% | 0.855 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -80.1 | 42.7 | 166.9 | -146.7 | 172.4 | -129.7 | 0 | 0 | 111.8 | E190 | E188-E190 PolarHBondContact O-N 3.27Š|
| 189 | E | 48.1 | Very low | 60.1 | Low | 174 Ų | 174 | 110.3 Ų | 110.3 | 81% | 0.813 | 53% | 0.527 | S | S | * | . | trans | -48 | 127.4 | -171.6 | -169.5 | -179.6 | -144.4 | 0 | 0 | 112.2 | E187 K191 | E187-E189 PolarHBondContact O-N 3.27Å; E189-K191 PolarHBondContact O-N 3.4Å | ||
| 190 | E | 58.7 | Low | 62.5 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 37% | 0.369 | 52% | 0.52 | S | S | . | . | trans | -48.7 | 109.3 | -157.9 | -64.9 | -164.9 | 138.1 | 0 | 0 | 112.8 | E188 A192 H258 H270 Y271 | E188-E190 PolarHBondContact O-N 3.27Å; E190-A192 VanDerWaalsContact C-N 3.35Å; E190-A192 PolarHBondContact O-N 2.9Å; E190-H258 IonicContact OE2-CD2 3.85Å; E190-H270 IonicContact OE1-CG 3.5Å; E190-H270 IonicContact OE1-ND1 2.84Å; E190-H270 PolarHBondContact OE1-ND1 3.36Å; E190-Y271 HydrophobicContact CB-CD2 3.68Å; E190-Y271 HydrophobicContact CB-CE2 4.26Å; E190-Y271 VanDerWaalsContact OE2-CD2 3.28Å; E190-Y271 WeakPolarHBondContact OE2-CD2 3.37Å | ||
| 191 | K | 66 | Low | 64.6 | Low | 174 Ų | 174 | 102.9 Ų | 102.9 | 76% | 0.757 | 49% | 0.49 | S | S | * | . | trans | -68.3 | 88.7 | -172.7 | -170.2 | 176.5 | -173.8 | 170.5 | 0 | 112.1 | E189 S193 | E189-K191 PolarHBondContact O-N 3.4Å; K191-S193 PolarHBondContact O-N 3.5Å | ||
| 192 | A | 76.8 | Confident | 66.4 | Low | 41 Ų | 41 | 96.7 Ų | 96.7 | 34% | 0.339 | 46% | 0.463 | S | S | . | . | trans | -42.2 | 126.7 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E190 L246 Y271 | E190-A192 VanDerWaalsContact C-N 3.35Å; E190-A192 PolarHBondContact O-N 2.9Å; A192-L246 HydrophobicContact CB-CD1 4.46Å; A192-L246 HydrophobicContact CB-CD2 4.11Å; A192-L246 HydrophobicContact CB-CG 4.42Å; A192-L246 WeakPolarHBondContact O-CD1 3.37Å; A192-Y271 HydrophobicContact CB-CD1 4.41Å; A192-Y271 HydrophobicContact CB-CE1 3.83Å; A192-Y271 HydrophobicContact CB-CE2 4.05Å | ||
| 193 | S | 82 | Confident | 68.4 | Low | 8 Ų | 8 | 94.9 Ų | 94.9 | 6% | 0.056 | 45% | 0.454 | C | S | . | . | trans | -132.6 | 152.7 | -174.5 | 85.2 | 0 | 0 | 0 | 0 | 111.4 | K191 I195 A249 Y271 S272 | K191-S193 PolarHBondContact O-N 3.5Å; S193-I195 PolarHBondContact O-N 3.47Å; S193-I195 PolarHBondContact OG-O 3.33Å; S193-I195 VanDerWaalsContact OG-O 3.11Å; S193-A249 WeakPolarHBondContact O-CB 3.37Å; S193-Y271 WeakPolarHBondContact O-CD1 3.47Å; S193-S272 WeakPolarHBondContact CB-O 3.25Å; S193-S272 PolarHBondContact OG-O 2.77Å | ||
| 194 | N | 85.8 | Confident | 70.3 | Confident | 66 Ų | 66 | 91.1 Ų | 91.1 | 35% | 0.353 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -66.5 | -0.9 | 178.7 | -62.4 | 47.7 | 0 | 0 | 0 | 113.6 | E242 F243 | N194-E242 CarbonylContact O-C 3.54Å; N194-E242 WeakPolarHBondContact O-CA 3.33Å; N194-F243 PolarHBondContact O-N 2.89Å |
| 195 | I | 88.8 | Confident | 72.1 | Confident | 37 Ų | 37 | 82.9 Ų | 82.9 | 19% | 0.19 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 111 | -175.1 | -56.7 | 172.4 | 0 | 0 | 0 | 109.1 | S193 F240 V241 E242 S272 | S193-I195 PolarHBondContact O-N 3.47Å; S193-I195 PolarHBondContact OG-O 3.33Å; S193-I195 VanDerWaalsContact OG-O 3.11Å; I195-F240 HydrophobicContact CG2-CB 4.27Å; I195-F240 HydrophobicContact CG2-CD1 4.07Å; I195-V241 CarbonylContact C-O 3.52Å; I195-V241 WeakPolarHBondContact CA-O 3.35Å; I195-E242 HydrophobicContact CD1-CG 4.48Å; I195-E242 HydrophobicContact CG1-CB 4.02Å; I195-E242 HydrophobicContact CG1-CG 3.88Å; I195-S272 VanDerWaalsContact CB-OG 3.31Å; I195-S272 WeakPolarHBondContact CB-OG 3.5Å; I195-S272 WeakPolarHBondContact CG2-OG 3.44Å; I195-S272 WeakPolarHBondContact O-CB 3.49Å; I195-S272 PolarHBondContact O-N 3.28Å; I195-S272 PolarHBondContact O-OG 3.21Å |
| 196 | V | 89.8 | Confident | 74.4 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.3 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 109.7 | L198 V241 F243 A249 W252 M253 M269 Y271 | V196-L198 HydrophobicContact CG1-CD2 4.34Å; V196-V241 PolarHBondContact N-O 2.66Å; V196-V241 PolarHBondContact O-N 3.49Å; V196-F243 HydrophobicContact CB-CE2 4.11Å; V196-F243 HydrophobicContact CG2-CD2 4.29Å; V196-F243 HydrophobicContact CG2-CE2 3.72Å; V196-A249 HydrophobicContact CG2-CB 4.13Å; V196-W252 HydrophobicContact CB-CE3 4.36Å; V196-W252 HydrophobicContact CB-CZ3 4.04Å; V196-W252 HydrophobicContact CG1-CE3 4.2Å; V196-W252 HydrophobicContact CG1-CZ3 3.76Å; V196-W252 HydrophobicContact CG2-CE3 4.31Å; V196-W252 HydrophobicContact CG2-CZ3 4.49Å; V196-M253 HydrophobicContact CB-CE 4.11Å; V196-M253 HydrophobicContact CG1-CE 3.46Å; V196-M253 VanDerWaalsContact CG1-CE 3.46Å; V196-M253 HydrophobicContact CG2-CE 3.6Å; V196-M269 HydrophobicContact CG1-CB 4.08Å; V196-M269 HydrophobicContact CG1-SD 4.44Å; V196-Y271 HydrophobicContact CG2-CD1 4.5Å |
| 197 | M | 89.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 121.4 | 170.8 | -170.4 | -171.3 | -62.1 | 0 | 0 | 109.5 | R199 F240 H270 | M197-R199 HydrophobicContact CG-CG 4.19Å; M197-R199 HydrophobicContact SD-CG 3.89Å; M197-R199 PolarHBondContact SD-NE 2.78Å; M197-F240 HydrophobicContact CB-CE1 4.41Å; M197-F240 HydrophobicContact CE-CE1 3.73Å; M197-F240 HydrophobicContact CE-CZ 4.04Å; M197-F240 HydrophobicContact CG-CD1 4.47Å; M197-F240 HydrophobicContact CG-CE1 4.11Å; M197-H270 PolarHBondContact N-O 3.48Å; M197-H270 PolarHBondContact O-N 3.11Å |
| 198 | L | 89.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123.7 | 167.8 | -60.4 | -175.7 | 0 | 0 | 0 | 109 | V196 L201 I210 F238 A239 V241 W252 L260 V267 M269 | V196-L198 HydrophobicContact CG1-CD2 4.34Å; L198-L201 HydrophobicContact CB-CD1 3.85Å; L198-L201 HydrophobicContact CB-CG 4.28Å; L198-L201 HydrophobicContact CD1-CD1 4.32Å; L198-I210 HydrophobicContact CD1-CD1 4.21Å; L198-I210 HydrophobicContact CD1-CG1 4.21Å; L198-I210 HydrophobicContact CD1-CG2 3.75Å; L198-F238 CarbonylContact O-C 3.6Å; L198-F238 WeakPolarHBondContact O-CA 3.46Å; L198-F238 WeakPolarHBondContact O-CB 3.48Å; L198-A239 HydrophobicContact CB-CB 4.32Å; L198-A239 HydrophobicContact CD1-CB 4.49Å; L198-A239 PolarHBondContact N-O 2.92Å; L198-A239 PolarHBondContact O-N 2.82Å; L198-V241 HydrophobicContact CD1-CG2 4.09Å; L198-V241 HydrophobicContact CG-CG2 4.3Å; L198-W252 HydrophobicContact CD1-CH2 4.23Å; L198-W252 HydrophobicContact CD2-CH2 3.87Å; L198-W252 HydrophobicContact CD2-CZ3 4.08Å; L198-W252 HydrophobicContact CG-CH2 4.42Å; L198-L260 HydrophobicContact CD1-CD1 4.34Å; L198-L260 HydrophobicContact CD2-CD1 3.82Å; L198-V267 HydrophobicContact CB-CG1 3.9Å; L198-V267 HydrophobicContact CD2-CG1 4.17Å; L198-V267 HydrophobicContact CG-CG1 4.46Å; L198-M269 HydrophobicContact CD2-CB 4.32Å; L198-M269 HydrophobicContact CD2-CG 3.57Å; L198-M269 HydrophobicContact CD2-SD 3.91Å |
| 199 | R | 88.4 | Confident | 80.5 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 158.4 | 173.1 | -62.5 | -177.6 | 179.9 | 172.2 | 2.3 | 109.8 | M197 L201 G237 V267 S268 | M197-R199 HydrophobicContact CG-CG 4.19Å; M197-R199 HydrophobicContact SD-CG 3.89Å; M197-R199 PolarHBondContact SD-NE 2.78Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.99Å; R199-G237 CarbonylContact C-O 3.53Å; R199-V267 CarbonylContact O-C 3.52Å; R199-V267 WeakPolarHBondContact O-CA 3.32Å; R199-V267 WeakPolarHBondContact O-CG1 3.31Å; R199-S268 PolarHBondContact N-O 2.7Å; R199-S268 PolarHBondContact O-N 3.05Å |
| 200 | M | 84.2 | Confident | 82.3 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 62.2 | 35.1 | -177.5 | -58.1 | -64.3 | -70.7 | 0 | 0 | 114.1 | G237 Q265 | M200-G237 PolarHBondContact N-O 2.89Å; M200-Q265 PolarHBondContact O-NE2 3.28Å |
| 201 | L | 84.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -69.6 | 141.5 | 167.3 | -78.9 | 161.7 | 0 | 0 | 0 | 111.1 | L198 R199 A205 I210 L226 G237 A239 I262 V267 | L198-L201 HydrophobicContact CB-CD1 3.85Å; L198-L201 HydrophobicContact CB-CG 4.28Å; L198-L201 HydrophobicContact CD1-CD1 4.32Å; R199-L201 VanDerWaalsContact C-N 3.34Å; R199-L201 PolarHBondContact O-N 2.99Å; L201-A205 HydrophobicContact CB-CB 4.49Å; L201-A205 HydrophobicContact CD2-CB 4.22Å; L201-I210 HydrophobicContact CD1-CD1 3.93Å; L201-I210 HydrophobicContact CD2-CD1 4.21Å; L201-I210 HydrophobicContact CD2-CG1 4.26Å; L201-L226 HydrophobicContact CD1-CD1 3.89Å; L201-G237 PolarHBondContact N-O 3.1Å; L201-G237 WeakPolarHBondContact O-CA 3.44Å; L201-A239 HydrophobicContact CD1-CB 3.47Å; L201-A239 VanDerWaalsContact CD1-CB 3.47Å; L201-I262 HydrophobicContact CD2-CD1 3.92Å; L201-I262 HydrophobicContact CD2-CG2 4.45Å; L201-V267 HydrophobicContact CD2-CG1 4.03Å; L201-V267 HydrophobicContact CD2-CG2 3.78Å; L201-V267 HydrophobicContact CG-CG1 3.98Å; L201-V267 HydrophobicContact CG-CG2 4.29Å | ||
| 202 | P | 80.6 | Confident | 84.5 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | trans | -65.2 | 152.3 | 172 | 20.6 | -25.1 | 0 | 0 | 0 | 111.4 | A204 A205 S235 L263 Q265 | P202-A204 PolarHBondContact O-N 2.91Å; P202-A205 HydrophobicContact CG-CB 4.11Å; P202-A205 VanDerWaalsContact O-CB 3.25Å; P202-A205 WeakPolarHBondContact O-CB 3.39Å; P202-A205 PolarHBondContact O-N 3.32Å; P202-S235 PolarHBondContact O-OG 3.3Å; P202-S235 VanDerWaalsContact O-OG 3.13Å; P202-L263 HydrophobicContact CG-CB 4.19Å; P202-L263 HydrophobicContact CG-CD1 4.31Å; P202-Q265 HydrophobicContact CB-CB 4.36Å; P202-Q265 HydrophobicContact CG-CB 4.11Å | ||
| 203 | Q | 77.9 | Confident | 84.9 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.7 | -179.2 | -70.9 | -169.8 | -51.3 | 0 | 0 | 113.8 | Q234 | Q203-Q234 HydrophobicContact CB-CG 3.92Å; Q203-Q234 HydrophobicContact CG-CG 4.21Å; Q203-Q234 VanDerWaalsContact NE2-CD 3.32Å |
| 204 | A | 78.9 | Confident | 85.1 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 65% | 0.653 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -8.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114 | P202 T206 L263 | P202-A204 PolarHBondContact O-N 2.91Å; A204-T206 PolarHBondContact O-N 2.89Å; A204-L263 HydrophobicContact CB-CD1 4.39Å |
| 205 | A | 79.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -58.9 | 138.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | L201 P202 L226 R228 | L201-A205 HydrophobicContact CB-CB 4.49Å; L201-A205 HydrophobicContact CD2-CB 4.22Å; P202-A205 HydrophobicContact CG-CB 4.11Å; P202-A205 VanDerWaalsContact O-CB 3.25Å; P202-A205 WeakPolarHBondContact O-CB 3.39Å; P202-A205 PolarHBondContact O-N 3.32Å; A205-L226 WeakPolarHBondContact O-CD2 3.44Å; A205-R228 PolarHBondContact O-NH2 3.01Å | ||
| 206 | T | 84.9 | Confident | 84.7 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | trans | -100.5 | 172.6 | 171.3 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | A204 D208 D209 | A204-T206 PolarHBondContact O-N 2.89Å; T206-D208 VanDerWaalsContact C-N 3.31Å; T206-D208 PolarHBondContact OG1-N 3.3Å; T206-D209 WeakPolarHBondContact CB-OD2 3.38Å; T206-D209 PolarHBondContact N-OD2 3.42Å; T206-D209 PolarHBondContact OG1-N 3.02Å; T206-D209 PolarHBondContact OG1-OD2 2.63Å | ||
| 207 | E | 85.2 | Confident | 84 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 29% | 0.29 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.5 | -27.4 | 169.8 | -70.1 | -178 | 167.7 | 0 | 0 | 110.9 | I210 R211 V224 L226 | E207-I210 PolarHBondContact O-N 2.78Å; E207-R211 WeakPolarHBondContact O-CB 3.16Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.05Å; E207-R211 PolarHBondContact O-N 3.37Å; E207-V224 HydrophobicContact CB-CG1 4.46Å; E207-L226 HydrophobicContact CG-CB 3.49Å; E207-L226 VanDerWaalsContact CG-CB 3.49Å; E207-L226 HydrophobicContact CG-CD2 4.27Å; E207-L226 WeakPolarHBondContact OE1-CB 3.43Å; E207-L226 PolarHBondContact OE1-N 3.42Å |
| 208 | D | 84.7 | Confident | 83.5 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.8 | -36.4 | 176.2 | -55.8 | -81.9 | 0 | 0 | 0 | 112.7 | T206 I210 R211 G212 | T206-D208 VanDerWaalsContact C-N 3.31Å; T206-D208 PolarHBondContact OG1-N 3.3Å; D208-I210 VanDerWaalsContact C-N 3.3Å; D208-I210 PolarHBondContact O-N 3.07Å; D208-R211 PolarHBondContact O-N 3.01Å; D208-G212 PolarHBondContact O-N 3.28Å |
| 209 | D | 86 | Confident | 83.2 | Confident | 52 Ų | 52 | 64 Ų | 64 | 28% | 0.278 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 171.4 | -63.9 | -59.5 | 0 | 0 | 0 | 111.5 | T206 Q213 I262 | T206-D209 WeakPolarHBondContact CB-OD2 3.38Å; T206-D209 PolarHBondContact N-OD2 3.42Å; T206-D209 PolarHBondContact OG1-N 3.02Å; T206-D209 PolarHBondContact OG1-OD2 2.63Å; D209-Q213 PolarHBondContact O-N 3.38Å; D209-Q213 VanDerWaalsContact O-N 3.15Å; D209-I262 HydrophobicContact CB-CG2 3.98Å |
| 210 | I | 86.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 179.5 | -60.3 | 166.6 | 0 | 0 | 0 | 110 | L198 L201 E207 D208 G212 Q213 L214 V224 L226 A239 V241 I262 | L198-I210 HydrophobicContact CD1-CD1 4.21Å; L198-I210 HydrophobicContact CD1-CG1 4.21Å; L198-I210 HydrophobicContact CD1-CG2 3.75Å; L201-I210 HydrophobicContact CD1-CD1 3.93Å; L201-I210 HydrophobicContact CD2-CD1 4.21Å; L201-I210 HydrophobicContact CD2-CG1 4.26Å; E207-I210 PolarHBondContact O-N 2.78Å; D208-I210 VanDerWaalsContact C-N 3.3Å; D208-I210 PolarHBondContact O-N 3.07Å; I210-G212 VanDerWaalsContact C-N 3.35Å; I210-Q213 PolarHBondContact O-N 2.91Å; I210-L214 HydrophobicContact CG2-CD1 4.14Å; I210-L214 WeakPolarHBondContact O-CD1 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.21Å; I210-L214 PolarHBondContact O-N 2.97Å; I210-V224 HydrophobicContact CB-CG1 4.07Å; I210-V224 HydrophobicContact CD1-CG1 4.45Å; I210-V224 HydrophobicContact CG2-CG1 3.75Å; I210-L226 HydrophobicContact CD1-CD1 4.32Å; I210-A239 HydrophobicContact CD1-CB 3.88Å; I210-V241 HydrophobicContact CG2-CG2 4.03Å; I210-I262 HydrophobicContact CG1-CD1 4.09Å |
| 211 | R | 86.7 | Confident | 82.8 | Confident | 108 Ų | 108 | 61.1 Ų | 61.1 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 175 | -72.1 | 169.5 | -177.7 | -79.6 | 0.1 | 112.2 | E207 D208 L214 Q215 V224 | E207-R211 WeakPolarHBondContact O-CB 3.16Å; E207-R211 VanDerWaalsContact O-CG 3.25Å; E207-R211 WeakPolarHBondContact O-CG 3.05Å; E207-R211 PolarHBondContact O-N 3.37Å; D208-R211 PolarHBondContact O-N 3.01Å; R211-L214 WeakPolarHBondContact O-CB 3.28Å; R211-L214 PolarHBondContact O-N 3.33Å; R211-Q215 WeakPolarHBondContact O-CB 3.09Å; R211-Q215 PolarHBondContact O-N 3.43Å; R211-V224 HydrophobicContact CG-CB 4.39Å; R211-V224 HydrophobicContact CG-CG2 4.01Å |
| 212 | G | 84.6 | Confident | 82.9 | Confident | 36 Ų | 36 | 69.7 Ų | 69.7 | 37% | 0.371 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D208 I210 L214 Q215 S216 | D208-G212 PolarHBondContact O-N 3.28Å; I210-G212 VanDerWaalsContact C-N 3.35Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.15Å; G212-Q215 PolarHBondContact O-N 3.04Å; G212-S216 WeakPolarHBondContact O-CB 3.49Å; G212-S216 PolarHBondContact O-N 3.4Å; G212-S216 PolarHBondContact O-OG 3.02Å |
| 213 | Q | 84.4 | Confident | 83 | Confident | 49 Ų | 49 | 73 Ų | 73 | 23% | 0.229 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -74 | -18.6 | 176.8 | -169.4 | 58.7 | 16 | 0 | 0 | 114 | D209 I210 S216 H217 W252 L260 | D209-Q213 PolarHBondContact O-N 3.38Å; D209-Q213 VanDerWaalsContact O-N 3.15Å; I210-Q213 PolarHBondContact O-N 2.91Å; Q213-S216 WeakPolarHBondContact CA-OG 3.49Å; Q213-S216 PolarHBondContact O-OG 3.42Å; Q213-S216 PolarHBondContact OE1-OG 2.98Å; Q213-H217 PolarHBondContact O-CD2 3.01Å; Q213-W252 PolarHBondContact O-NE1 3.36Å; Q213-L260 HydrophobicContact CG-CB 4.44Å; Q213-L260 HydrophobicContact CG-CD1 4.12Å; Q213-L260 HydrophobicContact CG-CD2 3.9Å; Q213-L260 HydrophobicContact CG-CG 4.38Å |
| 214 | L | 85.6 | Confident | 83.5 | Confident | 5 Ų | 5 | 67.9 Ų | 67.9 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -76.4 | -47.2 | 167.1 | -76.4 | 156.3 | 0 | 0 | 0 | 111 | I210 R211 G212 S216 H217 G218 V219 A221 V224 V241 F243 W252 | I210-L214 HydrophobicContact CG2-CD1 4.14Å; I210-L214 WeakPolarHBondContact O-CD1 3.47Å; I210-L214 WeakPolarHBondContact O-CG 3.21Å; I210-L214 PolarHBondContact O-N 2.97Å; R211-L214 WeakPolarHBondContact O-CB 3.28Å; R211-L214 PolarHBondContact O-N 3.33Å; G212-L214 VanDerWaalsContact C-N 3.32Å; G212-L214 PolarHBondContact O-N 3.15Å; L214-S216 PolarHBondContact O-N 3.14Å; L214-H217 PolarHBondContact O-N 3Å; L214-G218 PolarHBondContact O-N 3.29Å; L214-V219 CarbonylContact C-O 3.52Å; L214-V219 PolarHBondContact O-N 2.72Å; L214-V219 VanDerWaalsContact O-N 3.07Å; L214-A221 HydrophobicContact CD1-CB 3.65Å; L214-A221 HydrophobicContact CD2-CB 4.21Å; L214-V224 HydrophobicContact CD1-CG2 3.61Å; L214-V241 HydrophobicContact CD1-CG1 3.9Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; L214-F243 HydrophobicContact CD2-CE1 3.57Å; L214-F243 HydrophobicContact CD2-CZ 3.57Å; L214-W252 HydrophobicContact CD2-CD2 3.86Å; L214-W252 VanDerWaalsContact CD2-CE2 3.42Å; L214-W252 HydrophobicContact CD2-CE3 4.36Å; L214-W252 HydrophobicContact CD2-CG 4.29Å; L214-W252 HydrophobicContact CD2-CH2 4Å; L214-W252 HydrophobicContact CD2-CZ2 3.5Å; L214-W252 HydrophobicContact CD2-CZ3 4.41Å; L214-W252 HydrophobicContact CG-CH2 4.32Å; L214-W252 HydrophobicContact CG-CZ2 3.69Å |
| 215 | Q | 82.8 | Confident | 83.9 | Confident | 163 Ų | 163 | 70.2 Ų | 70.2 | 76% | 0.762 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -68.8 | -33.3 | -177.5 | -167.5 | 170.4 | 13.5 | 0 | 0 | 113 | R211 G212 H217 G218 | R211-Q215 WeakPolarHBondContact O-CB 3.09Å; R211-Q215 PolarHBondContact O-N 3.43Å; G212-Q215 PolarHBondContact O-N 3.04Å; Q215-H217 VanDerWaalsContact C-N 3.27Å; Q215-H217 PolarHBondContact O-N 3.1Å; Q215-G218 PolarHBondContact O-N 2.97Å |
| 216 | S | 82.9 | Confident | 84.3 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 57% | 0.566 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -29.7 | 174.4 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | G212 Q213 L214 | G212-S216 WeakPolarHBondContact O-CB 3.49Å; G212-S216 PolarHBondContact O-N 3.4Å; G212-S216 PolarHBondContact O-OG 3.02Å; Q213-S216 WeakPolarHBondContact CA-OG 3.49Å; Q213-S216 PolarHBondContact O-OG 3.42Å; Q213-S216 PolarHBondContact OE1-OG 2.98Å; L214-S216 PolarHBondContact O-N 3.14Å |
| 217 | H | 76.7 | Confident | 84.3 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 37% | 0.37 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 0.3 | 172.1 | -75.3 | -99.1 | 0 | 0 | 0 | 113.4 | Q213 L214 Q215 V219 A255 N256 | Q213-H217 PolarHBondContact O-CD2 3.01Å; L214-H217 PolarHBondContact O-N 3Å; Q215-H217 VanDerWaalsContact C-N 3.27Å; Q215-H217 PolarHBondContact O-N 3.1Å; H217-V219 VanDerWaalsContact C-N 3.26Å; H217-V219 HydrophobicContact CB-CG2 4.14Å; H217-V219 PolarHBondContact O-N 3.47Å; H217-A255 WeakPolarHBondContact CE1-CB 3.46Å; H217-A255 PolarHBondContact NE2-O 3.2Å; H217-N256 PolarHBondContact ND1-ND2 2.93Å; H217-N256 PolarHBondContact NE2-ND2 2.84Å; H217-N256 PolarHBondContact NE2-OD1 3.22Å |
| 218 | G | 77.6 | Confident | 84.4 | Confident | 66 Ų | 66 | 73.1 Ų | 73.1 | 68% | 0.68 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | 13.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | L214 Q215 | L214-G218 PolarHBondContact O-N 3.29Å; Q215-G218 PolarHBondContact O-N 2.97Å |
| 219 | V | 83.8 | Confident | 84.2 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 11% | 0.109 | 36% | 0.355 | C | S | . | . | trans | -101.3 | 133.3 | -175 | -164.1 | 0 | 0 | 0 | 0 | 110.5 | L214 H217 F243 D248 W252 | L214-V219 CarbonylContact C-O 3.52Å; L214-V219 PolarHBondContact O-N 2.72Å; L214-V219 VanDerWaalsContact O-N 3.07Å; H217-V219 VanDerWaalsContact C-N 3.26Å; H217-V219 HydrophobicContact CB-CG2 4.14Å; H217-V219 PolarHBondContact O-N 3.47Å; V219-F243 HydrophobicContact CB-CE1 4.36Å; V219-F243 HydrophobicContact CG1-CD1 3.79Å; V219-F243 HydrophobicContact CG1-CE1 3.5Å; V219-F243 VanDerWaalsContact CG1-CE1 3.5Å; V219-D248 HydrophobicContact CG1-CB 3.71Å; V219-W252 HydrophobicContact CG1-CB 4.39Å; V219-W252 HydrophobicContact CG2-CB 4.16Å; V219-W252 HydrophobicContact CG2-CG 4.46Å | ||
| 220 | Q | 80.2 | Confident | 83.8 | Confident | 159 Ų | 159 | 78.3 Ų | 78.3 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | trans | -98.9 | 115.3 | -178.9 | -61.4 | -173.1 | 23 | 0 | 0 | 111.2 | ||||
| 221 | A | 84.9 | Confident | 83.3 | Confident | 26 Ų | 26 | 83.4 Ų | 83.4 | 22% | 0.215 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L214 V224 V241 E242 F243 | L214-A221 HydrophobicContact CD1-CB 3.65Å; L214-A221 HydrophobicContact CD2-CB 4.21Å; A221-V224 HydrophobicContact CB-CG2 3.76Å; A221-V241 HydrophobicContact CB-CG1 3.49Å; A221-V241 VanDerWaalsContact CB-CG1 3.49Å; A221-E242 CarbonylContact C-O 3.51Å; A221-E242 WeakPolarHBondContact CA-O 3.22Å; A221-F243 HydrophobicContact CB-CE1 4.42Å |
| 222 | R | 85.6 | Confident | 82.8 | Confident | 185 Ų | 185 | 81.4 Ų | 81.4 | 70% | 0.698 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -46.8 | 175.2 | -174.1 | -170.9 | -177.6 | -155.1 | 0.9 | 112 | E242 | R222-E242 WeakPolarHBondContact CA-O 3.43Å; R222-E242 HydrophobicContact CB-CG 4.49Å; R222-E242 WeakPolarHBondContact CB-O 3.47Å; R222-E242 WeakPolarHBondContact CD-OE1 3.48Å; R222-E242 IonicContact CZ-OE1 3.61Å; R222-E242 PolarHBondContact N-O 3.05Å; R222-E242 IonicContact NE-OE1 3.87Å; R222-E242 IonicContact NH1-OE1 2.66Å; R222-E242 PolarHBondContact NH1-OE1 3.25Å |
| 223 | E | 82.8 | Confident | 82.4 | Confident | 83 Ų | 83 | 81.5 Ų | 81.5 | 39% | 0.388 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.7 | 171.7 | -174.8 | 176.6 | 144.3 | 0 | 0 | 108.6 | R225 V241 E242 | E223-R225 HydrophobicContact CG-CB 4.31Å; E223-R225 WeakPolarHBondContact OE1-CD 3.39Å; E223-R225 IonicContact OE1-CZ 3.13Å; E223-R225 IonicContact OE1-NH1 2.94Å; E223-R225 PolarHBondContact OE1-NH1 3.44Å; E223-V241 WeakPolarHBondContact O-CA 3.25Å; E223-E242 HydrophobicContact CB-CB 4.26Å; E223-E242 PolarHBondContact N-O 2.85Å; E223-E242 PolarHBondContact O-N 3.06Å |
| 224 | V | 88.3 | Confident | 82 | Confident | 6 Ų | 6 | 83.4 Ų | 83.4 | 4% | 0.036 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123 | 165.1 | 177 | 0 | 0 | 0 | 0 | 105.9 | E207 I210 R211 L214 A221 V241 | E207-V224 HydrophobicContact CB-CG1 4.46Å; I210-V224 HydrophobicContact CB-CG1 4.07Å; I210-V224 HydrophobicContact CD1-CG1 4.45Å; I210-V224 HydrophobicContact CG2-CG1 3.75Å; R211-V224 HydrophobicContact CG-CB 4.39Å; R211-V224 HydrophobicContact CG-CG2 4.01Å; L214-V224 HydrophobicContact CD1-CG2 3.61Å; A221-V224 HydrophobicContact CB-CG2 3.76Å; V224-V241 HydrophobicContact CG2-CG1 4.35Å |
| 225 | R | 87.9 | Confident | 81.9 | Confident | 128 Ų | 128 | 83.2 Ų | 83.2 | 48% | 0.483 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 97.4 | -171.4 | -171.9 | -167.8 | -170.4 | 99.9 | 2.4 | 110.6 | E223 A239 F240 | E223-R225 HydrophobicContact CG-CB 4.31Å; E223-R225 WeakPolarHBondContact OE1-CD 3.39Å; E223-R225 IonicContact OE1-CZ 3.13Å; E223-R225 IonicContact OE1-NH1 2.94Å; E223-R225 PolarHBondContact OE1-NH1 3.44Å; R225-A239 WeakPolarHBondContact O-CA 3.26Å; R225-F240 PolarHBondContact N-O 3.28Å; R225-F240 PolarHBondContact O-N 3.3Å |
| 226 | L | 88.4 | Confident | 81.6 | Confident | 10 Ų | 10 | 82.5 Ų | 82.5 | 5% | 0.052 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.3 | 176.5 | 179.8 | 63.3 | 0 | 0 | 0 | 110.1 | L201 A205 E207 I210 R228 A239 | L201-L226 HydrophobicContact CD1-CD1 3.89Å; A205-L226 WeakPolarHBondContact O-CD2 3.44Å; E207-L226 HydrophobicContact CG-CB 3.49Å; E207-L226 VanDerWaalsContact CG-CB 3.49Å; E207-L226 HydrophobicContact CG-CD2 4.27Å; E207-L226 WeakPolarHBondContact OE1-CB 3.43Å; E207-L226 PolarHBondContact OE1-N 3.42Å; I210-L226 HydrophobicContact CD1-CD1 4.32Å; L226-R228 HydrophobicContact CD2-CG 4.49Å; L226-R228 HydrophobicContact CG-CG 4.36Å; L226-R228 PolarHBondContact O-N 3.35Å; L226-A239 HydrophobicContact CB-CB 4.44Å; L226-A239 HydrophobicContact CD1-CB 3.92Å |
| 227 | M | 84.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 79.5 Ų | 79.5 | 29% | 0.286 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 102.1 | -178.6 | -162.1 | 68 | 65.3 | 0 | 0 | 110.2 | R236 F238 F240 | M227-R236 VanDerWaalsContact O-CB 3.26Å; M227-R236 WeakPolarHBondContact O-CB 3.32Å; M227-R236 WeakPolarHBondContact O-CG 3.35Å; M227-R236 PolarHBondContact O-N 2.77Å; M227-F238 HydrophobicContact CB-CD2 3.82Å; M227-F238 HydrophobicContact CB-CE2 3.4Å; M227-F238 VanDerWaalsContact CB-CE2 3.4Å; M227-F238 HydrophobicContact CB-CZ 3.84Å; M227-F238 HydrophobicContact CE-CE2 4.32Å; M227-F238 HydrophobicContact CG-CE2 3.63Å; M227-F238 HydrophobicContact CG-CZ 3.72Å; M227-F238 PolarHBondContact N-O 3.18Å; M227-F238 VanDerWaalsContact N-O 3.14Å; M227-F240 HydrophobicContact CE-CE2 4.29Å |
| 228 | R | 86.8 | Confident | 82.2 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 153 | 175.2 | -66.7 | 175.4 | 178.7 | -80.8 | -2.6 | 111.5 | A205 L226 G233 Q234 | A205-R228 PolarHBondContact O-NH2 3.01Å; L226-R228 HydrophobicContact CD2-CG 4.49Å; L226-R228 HydrophobicContact CG-CG 4.36Å; L226-R228 PolarHBondContact O-N 3.35Å; R228-G233 VanDerWaalsContact CD-O 3.29Å; R228-G233 WeakPolarHBondContact CD-O 3.39Å; R228-G233 WeakPolarHBondContact CG-O 3.42Å; R228-G233 PolarHBondContact NH1-O 3.39Å; R228-Q234 CarbonylContact C-O 3.57Å; R228-Q234 VanDerWaalsContact CA-O 3.32Å; R228-Q234 WeakPolarHBondContact CA-O 3.18Å |
| 229 | N | 80.2 | Confident | 82.7 | Confident | 65 Ų | 65 | 75.1 Ų | 75.1 | 35% | 0.348 | 37% | 0.366 | S | S | . | . | trans | -78.7 | 129.9 | 175 | -169 | 14.5 | 0 | 0 | 0 | 110.6 | S231 S232 G233 Q234 R236 | N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact ND2-OG 3.19Å; N229-S231 PolarHBondContact O-N 3.04Å; N229-S232 PolarHBondContact O-N 3.3Å; N229-G233 PolarHBondContact O-N 3.01Å; N229-Q234 PolarHBondContact N-O 2.91Å; N229-R236 HydrophobicContact CB-CG 4.22Å | ||
| 230 | K | 78.8 | Confident | 83.1 | Confident | 213 Ų | 213 | 77.1 Ų | 77.1 | 93% | 0.926 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -24.5 | -169.8 | -168.7 | 175.5 | 179.4 | -176.3 | 0 | 113.6 | ||
| 231 | S | 74.8 | Confident | 83.6 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 76% | 0.755 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -21.4 | 179.1 | 52 | 0 | 0 | 0 | 0 | 114.9 | N229 | N229-S231 VanDerWaalsContact C-N 3.25Å; N229-S231 PolarHBondContact ND2-OG 3.19Å; N229-S231 PolarHBondContact O-N 3.04Å |
| 232 | S | 77.3 | Confident | 83.9 | Confident | 65 Ų | 65 | 70.7 Ų | 70.7 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.3 | -5.2 | -173 | 67.3 | 0 | 0 | 0 | 0 | 115.6 | N229 Q234 | N229-S232 PolarHBondContact O-N 3.3Å; S232-Q234 PolarHBondContact O-N 3.08Å |
| 233 | G | 74.9 | Confident | 84.1 | Confident | 39 Ų | 39 | 62 Ų | 62 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | trans | 67.1 | -11 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | R228 N229 | R228-G233 VanDerWaalsContact CD-O 3.29Å; R228-G233 WeakPolarHBondContact CD-O 3.39Å; R228-G233 WeakPolarHBondContact CG-O 3.42Å; R228-G233 PolarHBondContact NH1-O 3.39Å; N229-G233 PolarHBondContact O-N 3.01Å | ||
| 234 | Q | 76.1 | Confident | 84.2 | Confident | 88 Ų | 88 | 60.8 Ų | 60.8 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | trans | -66.3 | 143.8 | -178.9 | -162.8 | 174.7 | 33.9 | 0 | 0 | 111.3 | Q203 R228 N229 S232 | Q203-Q234 HydrophobicContact CB-CG 3.92Å; Q203-Q234 HydrophobicContact CG-CG 4.21Å; Q203-Q234 VanDerWaalsContact NE2-CD 3.32Å; R228-Q234 CarbonylContact C-O 3.57Å; R228-Q234 VanDerWaalsContact CA-O 3.32Å; R228-Q234 WeakPolarHBondContact CA-O 3.18Å; N229-Q234 PolarHBondContact N-O 2.91Å; S232-Q234 PolarHBondContact O-N 3.08Å | ||
| 235 | S | 83.6 | Confident | 84.1 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.3 | 176.3 | 117.7 | 0 | 0 | 0 | 0 | 110.7 | P202 G237 | P202-S235 PolarHBondContact O-OG 3.3Å; P202-S235 VanDerWaalsContact O-OG 3.13Å; S235-G237 PolarHBondContact O-N 3.39Å; S235-G237 PolarHBondContact OG-N 2.75Å |
| 236 | R | 78 | Confident | 84 | Confident | 148 Ų | 148 | 62.2 Ų | 62.2 | 56% | 0.558 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 12.8 | 175.5 | -64.9 | -177.5 | 62.2 | 164 | -1.5 | 112.9 | M227 N229 F238 | M227-R236 VanDerWaalsContact O-CB 3.26Å; M227-R236 WeakPolarHBondContact O-CB 3.32Å; M227-R236 WeakPolarHBondContact O-CG 3.35Å; M227-R236 PolarHBondContact O-N 2.77Å; N229-R236 HydrophobicContact CB-CG 4.22Å; R236-F238 VanDerWaalsContact C-N 3.29Å; R236-F238 HydrophobicContact CB-CD1 4.03Å; R236-F238 HydrophobicContact CB-CE1 3.64Å; R236-F238 HydrophobicContact CB-CZ 4.28Å; R236-F238 VanDerWaalsContact O-CD1 3.29Å; R236-F238 WeakPolarHBondContact O-CD1 3.31Å; R236-F238 PolarHBondContact O-N 3.1Å |
| 237 | G | 81.6 | Confident | 84 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.1 | 9.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | R199 M200 L201 S235 | R199-G237 CarbonylContact C-O 3.53Å; M200-G237 PolarHBondContact N-O 2.89Å; L201-G237 PolarHBondContact N-O 3.1Å; L201-G237 WeakPolarHBondContact O-CA 3.44Å; S235-G237 PolarHBondContact O-N 3.39Å; S235-G237 PolarHBondContact OG-N 2.75Å |
| 238 | F | 89.5 | Confident | 84.2 | Confident | 55 Ų | 55 | 66 Ų | 66 | 24% | 0.241 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 153.5 | 175.2 | 65.2 | -91.2 | 0 | 0 | 0 | 113.8 | L198 M227 R236 F240 | L198-F238 CarbonylContact O-C 3.6Å; L198-F238 WeakPolarHBondContact O-CA 3.46Å; L198-F238 WeakPolarHBondContact O-CB 3.48Å; M227-F238 HydrophobicContact CB-CD2 3.82Å; M227-F238 HydrophobicContact CB-CE2 3.4Å; M227-F238 VanDerWaalsContact CB-CE2 3.4Å; M227-F238 HydrophobicContact CB-CZ 3.84Å; M227-F238 HydrophobicContact CE-CE2 4.32Å; M227-F238 HydrophobicContact CG-CE2 3.63Å; M227-F238 HydrophobicContact CG-CZ 3.72Å; M227-F238 PolarHBondContact N-O 3.18Å; M227-F238 VanDerWaalsContact N-O 3.14Å; R236-F238 VanDerWaalsContact C-N 3.29Å; R236-F238 HydrophobicContact CB-CD1 4.03Å; R236-F238 HydrophobicContact CB-CE1 3.64Å; R236-F238 HydrophobicContact CB-CZ 4.28Å; R236-F238 VanDerWaalsContact O-CD1 3.29Å; R236-F238 WeakPolarHBondContact O-CD1 3.31Å; R236-F238 PolarHBondContact O-N 3.1Å; F238-F240 HydrophobicContact CD2-CE2 4Å; F238-F240 HydrophobicContact CE2-CE2 4.02Å |
| 239 | A | 89.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 162.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L198 L201 I210 R225 L226 | L198-A239 HydrophobicContact CB-CB 4.32Å; L198-A239 HydrophobicContact CD1-CB 4.49Å; L198-A239 PolarHBondContact N-O 2.92Å; L198-A239 PolarHBondContact O-N 2.82Å; L201-A239 HydrophobicContact CD1-CB 3.47Å; L201-A239 VanDerWaalsContact CD1-CB 3.47Å; I210-A239 HydrophobicContact CD1-CB 3.88Å; R225-A239 WeakPolarHBondContact O-CA 3.26Å; L226-A239 HydrophobicContact CB-CB 4.44Å; L226-A239 HydrophobicContact CD1-CB 3.92Å |
| 240 | F | 91.3 | Very high | 84.6 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 26% | 0.259 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 139.9 | 170.4 | -64.1 | -91.1 | 0 | 0 | 0 | 109.7 | I195 M197 R225 M227 F238 | I195-F240 HydrophobicContact CG2-CB 4.27Å; I195-F240 HydrophobicContact CG2-CD1 4.07Å; M197-F240 HydrophobicContact CB-CE1 4.41Å; M197-F240 HydrophobicContact CE-CE1 3.73Å; M197-F240 HydrophobicContact CE-CZ 4.04Å; M197-F240 HydrophobicContact CG-CD1 4.47Å; M197-F240 HydrophobicContact CG-CE1 4.11Å; R225-F240 PolarHBondContact N-O 3.28Å; R225-F240 PolarHBondContact O-N 3.3Å; M227-F240 HydrophobicContact CE-CE2 4.29Å; F238-F240 HydrophobicContact CD2-CE2 4Å; F238-F240 HydrophobicContact CE2-CE2 4.02Å |
| 241 | V | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 108.5 | 175.7 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | I195 V196 L198 I210 L214 A221 E223 V224 F243 W252 | I195-V241 CarbonylContact C-O 3.52Å; I195-V241 WeakPolarHBondContact CA-O 3.35Å; V196-V241 PolarHBondContact N-O 2.66Å; V196-V241 PolarHBondContact O-N 3.49Å; L198-V241 HydrophobicContact CD1-CG2 4.09Å; L198-V241 HydrophobicContact CG-CG2 4.3Å; I210-V241 HydrophobicContact CG2-CG2 4.03Å; L214-V241 HydrophobicContact CD1-CG1 3.9Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; A221-V241 HydrophobicContact CB-CG1 3.49Å; A221-V241 VanDerWaalsContact CB-CG1 3.49Å; E223-V241 WeakPolarHBondContact O-CA 3.25Å; V224-V241 HydrophobicContact CG2-CG1 4.35Å; V241-F243 HydrophobicContact CB-CE2 4.07Å; V241-F243 HydrophobicContact CB-CZ 4.41Å; V241-F243 HydrophobicContact CG1-CD2 4.21Å; V241-F243 HydrophobicContact CG1-CE1 4.19Å; V241-F243 HydrophobicContact CG1-CE2 3.5Å; V241-F243 VanDerWaalsContact CG1-CE2 3.5Å; V241-F243 HydrophobicContact CG1-CZ 3.48Å; V241-F243 VanDerWaalsContact CG1-CZ 3.48Å; V241-W252 HydrophobicContact CB-CZ3 4.3Å; V241-W252 HydrophobicContact CG1-CH2 4.5Å; V241-W252 HydrophobicContact CG1-CZ3 4.38Å; V241-W252 HydrophobicContact CG2-CH2 4.05Å; V241-W252 HydrophobicContact CG2-CZ3 4.29Å |
| 242 | E | 90.8 | Very high | 85.6 | Confident | 51 Ų | 51 | 51.8 Ų | 51.8 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 133.2 | 173.6 | -177.4 | 171.9 | 143.7 | 0 | 0 | 109.9 | N194 I195 A221 R222 E223 | N194-E242 CarbonylContact O-C 3.54Å; N194-E242 WeakPolarHBondContact O-CA 3.33Å; I195-E242 HydrophobicContact CD1-CG 4.48Å; I195-E242 HydrophobicContact CG1-CB 4.02Å; I195-E242 HydrophobicContact CG1-CG 3.88Å; A221-E242 CarbonylContact C-O 3.51Å; A221-E242 WeakPolarHBondContact CA-O 3.22Å; R222-E242 WeakPolarHBondContact CA-O 3.43Å; R222-E242 HydrophobicContact CB-CG 4.49Å; R222-E242 WeakPolarHBondContact CB-O 3.47Å; R222-E242 WeakPolarHBondContact CD-OE1 3.48Å; R222-E242 IonicContact CZ-OE1 3.61Å; R222-E242 PolarHBondContact N-O 3.05Å; R222-E242 IonicContact NE-OE1 3.87Å; R222-E242 IonicContact NH1-OE1 2.66Å; R222-E242 PolarHBondContact NH1-OE1 3.25Å; E223-E242 HydrophobicContact CB-CB 4.26Å; E223-E242 PolarHBondContact N-O 2.85Å; E223-E242 PolarHBondContact O-N 3.06Å |
| 243 | F | 89.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 151.5 | 178.4 | -67.6 | -87.6 | 0 | 0 | 0 | 112 | N194 V196 L214 V219 A221 V241 H245 D248 A249 W252 | N194-F243 PolarHBondContact O-N 2.89Å; V196-F243 HydrophobicContact CB-CE2 4.11Å; V196-F243 HydrophobicContact CG2-CD2 4.29Å; V196-F243 HydrophobicContact CG2-CE2 3.72Å; L214-F243 HydrophobicContact CD2-CE1 3.57Å; L214-F243 HydrophobicContact CD2-CZ 3.57Å; V219-F243 HydrophobicContact CB-CE1 4.36Å; V219-F243 HydrophobicContact CG1-CD1 3.79Å; V219-F243 HydrophobicContact CG1-CE1 3.5Å; V219-F243 VanDerWaalsContact CG1-CE1 3.5Å; A221-F243 HydrophobicContact CB-CE1 4.42Å; V241-F243 HydrophobicContact CB-CE2 4.07Å; V241-F243 HydrophobicContact CB-CZ 4.41Å; V241-F243 HydrophobicContact CG1-CD2 4.21Å; V241-F243 HydrophobicContact CG1-CE1 4.19Å; V241-F243 HydrophobicContact CG1-CE2 3.5Å; V241-F243 VanDerWaalsContact CG1-CE2 3.5Å; V241-F243 HydrophobicContact CG1-CZ 3.48Å; V241-F243 VanDerWaalsContact CG1-CZ 3.48Å; F243-H245 VanDerWaalsContact C-N 3.34Å; F243-H245 WeakPolarHBondContact CB-O 2.95Å; F243-D248 HydrophobicContact CB-CB 4.19Å; F243-D248 HydrophobicContact CD1-CB 3.89Å; F243-D248 HydrophobicContact CG-CB 4.34Å; F243-A249 HydrophobicContact CB-CB 4.15Å; F243-A249 HydrophobicContact CD2-CB 3.48Å; F243-A249 VanDerWaalsContact CD2-CB 3.48Å; F243-A249 HydrophobicContact CE2-CB 4.06Å; F243-A249 HydrophobicContact CG-CB 3.9Å; F243-W252 HydrophobicContact CE1-CB 4.43Å; F243-W252 AromaticContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CZ3 4.19Å; F243-W252 HydrophobicContact CZ-CB 4.17Å; F243-W252 AromaticContact CZ-CD2 3.77Å; F243-W252 HydrophobicContact CZ-CD2 3.77Å; F243-W252 AromaticContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CE3 3.42Å; F243-W252 VanDerWaalsContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CG 4.13Å; F243-W252 AromaticContact CZ-CZ3 3.9Å; F243-W252 HydrophobicContact CZ-CZ3 3.9Å |
| 244 | S | 85.9 | Confident | 86.7 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -55.9 | -46.5 | 170 | 28.2 | 0 | 0 | 0 | 0 | 112.3 | D248 | S244-D248 PolarHBondContact OG-OD2 2.88Š|
| 245 | H | 85.4 | Confident | 87 | Confident | 105 Ų | 105 | 51.1 Ų | 51.1 | 49% | 0.486 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -126.6 | 150.4 | -177.1 | -55.7 | -68.2 | 0 | 0 | 0 | 111.2 | F243 Q247 D248 A249 | F243-H245 VanDerWaalsContact C-N 3.34Å; F243-H245 WeakPolarHBondContact CB-O 2.95Å; H245-Q247 PolarHBondContact O-N 3.29Å; H245-D248 WeakPolarHBondContact CB-OD2 3.21Å; H245-D248 IonicContact CD2-OD2 3.3Å; H245-D248 PolarHBondContact CD2-OD2 3.14Å; H245-D248 VanDerWaalsContact CD2-OD2 3.3Å; H245-D248 IonicContact CG-OD2 3.74Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.38Å; H245-D248 PolarHBondContact O-N 2.85Å; H245-A249 PolarHBondContact O-N 2.87Å |
| 246 | L | 85.8 | Confident | 86.9 | Confident | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -37.1 | 174.2 | -175.5 | 151.6 | 0 | 0 | 0 | 110.6 | A192 D248 A249 T250 | A192-L246 HydrophobicContact CB-CD1 4.46Å; A192-L246 HydrophobicContact CB-CD2 4.11Å; A192-L246 HydrophobicContact CB-CG 4.42Å; A192-L246 WeakPolarHBondContact O-CD1 3.37Å; L246-D248 PolarHBondContact O-N 2.96Å; L246-A249 WeakPolarHBondContact O-CB 3.45Å; L246-A249 PolarHBondContact O-N 3.13Å; L246-T250 PolarHBondContact O-N 3.4Å; L246-T250 PolarHBondContact O-OG1 2.87Å |
| 247 | Q | 87.9 | Confident | 87.1 | Confident | 115 Ų | 115 | 52.7 Ų | 52.7 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.2 | -32.1 | 177.1 | -66.8 | 72 | 21.7 | 0 | 0 | 112.6 | H245 R251 | H245-Q247 PolarHBondContact O-N 3.29Å; Q247-R251 VanDerWaalsContact O-CB 3.28Å; Q247-R251 WeakPolarHBondContact O-CB 3.19Å; Q247-R251 WeakPolarHBondContact O-CD 3.36Å; Q247-R251 WeakPolarHBondContact O-CG 3.37Å; Q247-R251 PolarHBondContact O-N 2.9Å |
| 248 | D | 88.7 | Confident | 87 | Confident | 34 Ų | 34 | 56.1 Ų | 56.1 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -72.1 | -43.9 | 176.6 | -62.5 | -30.7 | 0 | 0 | 0 | 110.6 | V219 F243 S244 H245 L246 W252 | V219-D248 HydrophobicContact CG1-CB 3.71Å; F243-D248 HydrophobicContact CB-CB 4.19Å; F243-D248 HydrophobicContact CD1-CB 3.89Å; F243-D248 HydrophobicContact CG-CB 4.34Å; S244-D248 PolarHBondContact OG-OD2 2.88Å; H245-D248 WeakPolarHBondContact CB-OD2 3.21Å; H245-D248 IonicContact CD2-OD2 3.3Å; H245-D248 PolarHBondContact CD2-OD2 3.14Å; H245-D248 VanDerWaalsContact CD2-OD2 3.3Å; H245-D248 IonicContact CG-OD2 3.74Å; H245-D248 PolarHBondContact N-OD2 2.89Å; H245-D248 WeakPolarHBondContact O-CB 3.38Å; H245-D248 PolarHBondContact O-N 2.85Å; L246-D248 PolarHBondContact O-N 2.96Å; D248-W252 WeakPolarHBondContact O-CB 3.29Å; D248-W252 PolarHBondContact O-N 3.23Å |
| 249 | A | 87.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S193 V196 F243 H245 L246 W252 M253 Y271 | S193-A249 WeakPolarHBondContact O-CB 3.37Å; V196-A249 HydrophobicContact CG2-CB 4.13Å; F243-A249 HydrophobicContact CB-CB 4.15Å; F243-A249 HydrophobicContact CD2-CB 3.48Å; F243-A249 VanDerWaalsContact CD2-CB 3.48Å; F243-A249 HydrophobicContact CE2-CB 4.06Å; F243-A249 HydrophobicContact CG-CB 3.9Å; H245-A249 PolarHBondContact O-N 2.87Å; L246-A249 WeakPolarHBondContact O-CB 3.45Å; L246-A249 PolarHBondContact O-N 3.13Å; A249-W252 PolarHBondContact O-N 2.88Å; A249-M253 WeakPolarHBondContact O-CB 3.47Å; A249-M253 PolarHBondContact O-N 3.44Å; A249-Y271 HydrophobicContact CB-CE1 4.44Å |
| 250 | T | 88 | Confident | 86.5 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -48.9 | 179.2 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | L246 W252 M253 E254 Y271 | L246-T250 PolarHBondContact O-N 3.4Å; L246-T250 PolarHBondContact O-OG1 2.87Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 3Å; T250-M253 WeakPolarHBondContact O-CB 3.33Å; T250-M253 PolarHBondContact O-N 2.96Å; T250-M253 VanDerWaalsContact O-N 3.08Å; T250-E254 HydrophobicContact CG2-CG 4.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.37Å; T250-E254 WeakPolarHBondContact O-CG 3.46Å; T250-E254 PolarHBondContact O-N 2.82Å; T250-Y271 VanDerWaalsContact CA-OH 3.26Å; T250-Y271 WeakPolarHBondContact CA-OH 3.45Å; T250-Y271 VanDerWaalsContact CB-OH 3.31Å; T250-Y271 WeakPolarHBondContact CB-OH 3.33Å; T250-Y271 WeakPolarHBondContact CG2-OH 3.08Å; T250-Y271 PolarHBondContact OG1-OH 3Å |
| 251 | R | 87.5 | Confident | 86.2 | Confident | 168 Ų | 168 | 57.3 Ų | 57.3 | 63% | 0.634 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 176.5 | -77.3 | 169.7 | 171.8 | -170.8 | -4 | 112.6 | Q247 M253 A255 | Q247-R251 VanDerWaalsContact O-CB 3.28Å; Q247-R251 WeakPolarHBondContact O-CB 3.19Å; Q247-R251 WeakPolarHBondContact O-CD 3.36Å; Q247-R251 WeakPolarHBondContact O-CG 3.37Å; Q247-R251 PolarHBondContact O-N 2.9Å; R251-M253 VanDerWaalsContact C-N 3.33Å; R251-A255 WeakPolarHBondContact O-CB 3.29Å; R251-A255 PolarHBondContact O-N 2.82Å |
| 252 | W | 87.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67 | -37 | 177.6 | -169.4 | 61.3 | 0 | 0 | 0 | 112.1 | V196 L198 Q213 L214 V219 V241 F243 D248 A249 T250 N256 L260 M269 | V196-W252 HydrophobicContact CB-CE3 4.36Å; V196-W252 HydrophobicContact CB-CZ3 4.04Å; V196-W252 HydrophobicContact CG1-CE3 4.2Å; V196-W252 HydrophobicContact CG1-CZ3 3.76Å; V196-W252 HydrophobicContact CG2-CE3 4.31Å; V196-W252 HydrophobicContact CG2-CZ3 4.49Å; L198-W252 HydrophobicContact CD1-CH2 4.23Å; L198-W252 HydrophobicContact CD2-CH2 3.87Å; L198-W252 HydrophobicContact CD2-CZ3 4.08Å; L198-W252 HydrophobicContact CG-CH2 4.42Å; Q213-W252 PolarHBondContact O-NE1 3.36Å; L214-W252 HydrophobicContact CD2-CD2 3.86Å; L214-W252 VanDerWaalsContact CD2-CE2 3.42Å; L214-W252 HydrophobicContact CD2-CE3 4.36Å; L214-W252 HydrophobicContact CD2-CG 4.29Å; L214-W252 HydrophobicContact CD2-CH2 4Å; L214-W252 HydrophobicContact CD2-CZ2 3.5Å; L214-W252 HydrophobicContact CD2-CZ3 4.41Å; L214-W252 HydrophobicContact CG-CH2 4.32Å; L214-W252 HydrophobicContact CG-CZ2 3.69Å; V219-W252 HydrophobicContact CG1-CB 4.39Å; V219-W252 HydrophobicContact CG2-CB 4.16Å; V219-W252 HydrophobicContact CG2-CG 4.46Å; V241-W252 HydrophobicContact CB-CZ3 4.3Å; V241-W252 HydrophobicContact CG1-CH2 4.5Å; V241-W252 HydrophobicContact CG1-CZ3 4.38Å; V241-W252 HydrophobicContact CG2-CH2 4.05Å; V241-W252 HydrophobicContact CG2-CZ3 4.29Å; F243-W252 HydrophobicContact CE1-CB 4.43Å; F243-W252 AromaticContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CE3 3.88Å; F243-W252 HydrophobicContact CE2-CZ3 4.19Å; F243-W252 HydrophobicContact CZ-CB 4.17Å; F243-W252 AromaticContact CZ-CD2 3.77Å; F243-W252 HydrophobicContact CZ-CD2 3.77Å; F243-W252 AromaticContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CE3 3.42Å; F243-W252 VanDerWaalsContact CZ-CE3 3.42Å; F243-W252 HydrophobicContact CZ-CG 4.13Å; F243-W252 AromaticContact CZ-CZ3 3.9Å; F243-W252 HydrophobicContact CZ-CZ3 3.9Å; D248-W252 WeakPolarHBondContact O-CB 3.29Å; D248-W252 PolarHBondContact O-N 3.23Å; A249-W252 PolarHBondContact O-N 2.88Å; T250-W252 VanDerWaalsContact C-N 3.29Å; T250-W252 PolarHBondContact O-N 3Å; W252-N256 PolarHBondContact O-ND2 3.5Å; W252-L260 HydrophobicContact CH2-CD1 3.73Å; W252-L260 HydrophobicContact CZ2-CD1 3.54Å; W252-L260 HydrophobicContact CZ2-CD2 4.4Å; W252-M269 HydrophobicContact CD2-SD 4.26Å; W252-M269 HydrophobicContact CE3-SD 3.8Å; W252-M269 HydrophobicContact CH2-SD 4.04Å; W252-M269 HydrophobicContact CZ2-SD 4.41Å; W252-M269 HydrophobicContact CZ3-SD 3.7Å |
| 253 | M | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -49.1 | 177.6 | -167.6 | 155.4 | -73.9 | 0 | 0 | 112.8 | V196 A249 T250 R251 N256 Q257 H258 M269 Y271 | V196-M253 HydrophobicContact CB-CE 4.11Å; V196-M253 HydrophobicContact CG1-CE 3.46Å; V196-M253 VanDerWaalsContact CG1-CE 3.46Å; V196-M253 HydrophobicContact CG2-CE 3.6Å; A249-M253 WeakPolarHBondContact O-CB 3.47Å; A249-M253 PolarHBondContact O-N 3.44Å; T250-M253 WeakPolarHBondContact O-CB 3.33Å; T250-M253 PolarHBondContact O-N 2.96Å; T250-M253 VanDerWaalsContact O-N 3.08Å; R251-M253 VanDerWaalsContact C-N 3.33Å; M253-N256 CarbonylContact O-C 3.57Å; M253-N256 PolarHBondContact O-N 2.81Å; M253-Q257 PolarHBondContact O-N 2.93Å; M253-Q257 VanDerWaalsContact O-N 3.1Å; M253-H258 WeakPolarHBondContact CG-CD2 3.45Å; M253-H258 PolarHBondContact O-N 2.99Å; M253-H258 VanDerWaalsContact O-N 3.1Å; M253-M269 HydrophobicContact CE-CB 4.06Å; M253-M269 HydrophobicContact CG-CE 4.45Å; M253-Y271 HydrophobicContact CE-CD1 4.2Å; M253-Y271 HydrophobicContact CE-CD2 4.28Å; M253-Y271 HydrophobicContact CE-CE1 4.41Å; M253-Y271 HydrophobicContact CE-CG 4.17Å; M253-Y271 HydrophobicContact SD-CD1 4.14Å; M253-Y271 HydrophobicContact SD-CD2 3.43Å; M253-Y271 WeakPolarHBondContact SD-CD2 3.29Å; M253-Y271 HydrophobicContact SD-CE1 4.01Å; M253-Y271 HydrophobicContact SD-CE2 3.29Å; M253-Y271 WeakPolarHBondContact SD-CE2 3.38Å; M253-Y271 HydrophobicContact SD-CG 3.9Å |
| 254 | E | 87 | Confident | 84.7 | Confident | 123 Ų | 123 | 63.9 Ų | 63.9 | 58% | 0.575 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.7 | -49.7 | 176.7 | -69.8 | 170.6 | 167.8 | 0 | 0 | 111.7 | T250 N256 Q257 | T250-E254 HydrophobicContact CG2-CG 4.21Å; T250-E254 WeakPolarHBondContact CG2-OE1 3.37Å; T250-E254 WeakPolarHBondContact O-CG 3.46Å; T250-E254 PolarHBondContact O-N 2.82Å; E254-N256 PolarHBondContact O-N 3.29Å; E254-Q257 PolarHBondContact O-N 3.17Å |
| 255 | A | 83.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 64.7 Ų | 64.7 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -14.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H217 R251 | H217-A255 WeakPolarHBondContact CE1-CB 3.46Å; H217-A255 PolarHBondContact NE2-O 3.2Å; R251-A255 WeakPolarHBondContact O-CB 3.29Å; R251-A255 PolarHBondContact O-N 2.82Å |
| 256 | N | 82 | Confident | 84.4 | Confident | 20 Ų | 20 | 66.1 Ų | 66.1 | 11% | 0.107 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 8.5 | 177.6 | -70.7 | -83.9 | 0 | 0 | 0 | 112.6 | H217 W252 M253 E254 H258 S259 L260 M269 | H217-N256 PolarHBondContact ND1-ND2 2.93Å; H217-N256 PolarHBondContact NE2-ND2 2.84Å; H217-N256 PolarHBondContact NE2-OD1 3.22Å; W252-N256 PolarHBondContact O-ND2 3.5Å; M253-N256 CarbonylContact O-C 3.57Å; M253-N256 PolarHBondContact O-N 2.81Å; E254-N256 PolarHBondContact O-N 3.29Å; N256-H258 VanDerWaalsContact C-N 3.28Å; N256-H258 PolarHBondContact O-N 3.06Å; N256-S259 CarbonylContact O-C 3.59Å; N256-S259 PolarHBondContact O-N 2.83Å; N256-L260 HydrophobicContact CB-CD2 3.64Å; N256-L260 WeakPolarHBondContact OD1-CD2 3.43Å; N256-M269 HydrophobicContact CB-CE 3.51Å |
| 257 | Q | 81.6 | Confident | 84.5 | Confident | 162 Ų | 162 | 63.3 Ų | 63.3 | 76% | 0.757 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 49.4 | 178.2 | -57.9 | 178.4 | -7.2 | 0 | 0 | 112.5 | M253 E254 S259 | M253-Q257 PolarHBondContact O-N 2.93Å; M253-Q257 VanDerWaalsContact O-N 3.1Å; E254-Q257 PolarHBondContact O-N 3.17Å; Q257-S259 PolarHBondContact O-N 2.84Å; Q257-S259 VanDerWaalsContact O-N 3.1Å; Q257-S259 PolarHBondContact O-OG 2.76Å |
| 258 | H | 80.1 | Confident | 84.5 | Confident | 90 Ų | 90 | 59.8 Ų | 59.8 | 42% | 0.417 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 17.6 | -179.2 | -45.2 | 89.1 | 0 | 0 | 0 | 114.9 | E190 M253 N256 M269 | E190-H258 IonicContact OE2-CD2 3.85Å; M253-H258 WeakPolarHBondContact CG-CD2 3.45Å; M253-H258 PolarHBondContact O-N 2.99Å; M253-H258 VanDerWaalsContact O-N 3.1Å; N256-H258 VanDerWaalsContact C-N 3.28Å; N256-H258 PolarHBondContact O-N 3.06Å; H258-M269 PolarHBondContact O-N 2.94Å |
| 259 | S | 84.2 | Confident | 84.5 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 140.4 | 178 | 57.3 | 0 | 0 | 0 | 0 | 116.5 | N256 Q257 K266 V267 | N256-S259 CarbonylContact O-C 3.59Å; N256-S259 PolarHBondContact O-N 2.83Å; Q257-S259 PolarHBondContact O-N 2.84Å; Q257-S259 VanDerWaalsContact O-N 3.1Å; Q257-S259 PolarHBondContact O-OG 2.76Å; S259-K266 WeakPolarHBondContact OG-CE 3.44Å; S259-K266 PolarHBondContact OG-NZ 3.39Å; S259-V267 CarbonylContact C-O 3.6Å; S259-V267 WeakPolarHBondContact CA-O 3.26Å; S259-V267 WeakPolarHBondContact CB-O 3.32Å |
| 260 | L | 84.2 | Confident | 84.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 148.6 | 179 | -52.2 | 172.7 | 0 | 0 | 0 | 110.5 | L198 Q213 W252 N256 I262 V267 M269 | L198-L260 HydrophobicContact CD1-CD1 4.34Å; L198-L260 HydrophobicContact CD2-CD1 3.82Å; Q213-L260 HydrophobicContact CG-CB 4.44Å; Q213-L260 HydrophobicContact CG-CD1 4.12Å; Q213-L260 HydrophobicContact CG-CD2 3.9Å; Q213-L260 HydrophobicContact CG-CG 4.38Å; W252-L260 HydrophobicContact CH2-CD1 3.73Å; W252-L260 HydrophobicContact CZ2-CD1 3.54Å; W252-L260 HydrophobicContact CZ2-CD2 4.4Å; N256-L260 HydrophobicContact CB-CD2 3.64Å; N256-L260 WeakPolarHBondContact OD1-CD2 3.43Å; L260-I262 HydrophobicContact CB-CD1 4.31Å; L260-I262 HydrophobicContact CB-CG1 4.17Å; L260-I262 HydrophobicContact CD1-CD1 4.06Å; L260-V267 HydrophobicContact CB-CB 4.21Å; L260-V267 PolarHBondContact N-O 3.21Å; L260-V267 WeakPolarHBondContact O-CB 3.39Å; L260-V267 PolarHBondContact O-N 2.96Å; L260-M269 HydrophobicContact CD1-CG 4.28Å; L260-M269 HydrophobicContact CD1-SD 3.7Å; L260-M269 HydrophobicContact CD2-CE 4.12Å; L260-M269 HydrophobicContact CD2-SD 3.75Å; L260-M269 HydrophobicContact CG-CE 4.36Å; L260-M269 HydrophobicContact CG-CG 3.95Å; L260-M269 HydrophobicContact CG-SD 3.52Å; L260-M269 VanDerWaalsContact CG-SD 3.52Å |
| 261 | N | 83.9 | Confident | 84.4 | Confident | 112 Ų | 112 | 61 Ų | 61 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 99.4 | 167.9 | -77.6 | 4.6 | 0 | 0 | 0 | 109.6 | Q265 | N261-Q265 WeakPolarHBondContact CA-O 3.28Å |
| 262 | I | 83.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.041 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 124.7 | -179.8 | -66 | 178.1 | 0 | 0 | 0 | 108.7 | L201 D209 I210 L260 G264 Q265 V267 | L201-I262 HydrophobicContact CD2-CD1 3.92Å; L201-I262 HydrophobicContact CD2-CG2 4.45Å; D209-I262 HydrophobicContact CB-CG2 3.98Å; I210-I262 HydrophobicContact CG1-CD1 4.09Å; L260-I262 HydrophobicContact CB-CD1 4.31Å; L260-I262 HydrophobicContact CB-CG1 4.17Å; L260-I262 HydrophobicContact CD1-CD1 4.06Å; I262-G264 PolarHBondContact O-N 2.86Å; I262-G264 VanDerWaalsContact O-N 3.14Å; I262-Q265 PolarHBondContact N-O 3.47Å; I262-Q265 PolarHBondContact O-N 3.28Å; I262-V267 HydrophobicContact CB-CG2 3.92Å; I262-V267 HydrophobicContact CD1-CG2 4.25Å; I262-V267 HydrophobicContact CG1-CG2 4.2Å |
| 263 | L | 80.3 | Confident | 83.1 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 56% | 0.56 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 32.8 | -174.7 | -56.4 | 175.9 | 0 | 0 | 0 | 113.6 | P202 A204 Q265 | P202-L263 HydrophobicContact CG-CB 4.19Å; P202-L263 HydrophobicContact CG-CD1 4.31Å; A204-L263 HydrophobicContact CB-CD1 4.39Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.2Å |
| 264 | G | 77.6 | Confident | 81.7 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 78% | 0.784 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | -3.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | I262 | I262-G264 PolarHBondContact O-N 2.86Å; I262-G264 VanDerWaalsContact O-N 3.14Å |
| 265 | Q | 81.4 | Confident | 79.9 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 135.3 | 175.4 | -173.8 | 169.4 | -52.5 | 0 | 0 | 110.7 | M200 P202 N261 I262 L263 V267 | M200-Q265 PolarHBondContact O-NE2 3.28Å; P202-Q265 HydrophobicContact CB-CB 4.36Å; P202-Q265 HydrophobicContact CG-CB 4.11Å; N261-Q265 WeakPolarHBondContact CA-O 3.28Å; I262-Q265 PolarHBondContact N-O 3.47Å; I262-Q265 PolarHBondContact O-N 3.28Å; L263-Q265 VanDerWaalsContact C-N 3.28Å; L263-Q265 PolarHBondContact O-N 3.2Å; Q265-V267 PolarHBondContact O-N 2.84Å |
| 266 | K | 84.3 | Confident | 78.2 | Confident | 135 Ų | 135 | 68 Ų | 68 | 59% | 0.587 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 114.9 | 174.3 | -169.7 | 176.7 | -176.8 | 179.1 | 0 | 110.3 | S259 | S259-K266 WeakPolarHBondContact OG-CE 3.44Å; S259-K266 PolarHBondContact OG-NZ 3.39Å |
| 267 | V | 88 | Confident | 76.5 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 130.9 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | L198 R199 L201 S259 L260 I262 Q265 | L198-V267 HydrophobicContact CB-CG1 3.9Å; L198-V267 HydrophobicContact CD2-CG1 4.17Å; L198-V267 HydrophobicContact CG-CG1 4.46Å; R199-V267 CarbonylContact O-C 3.52Å; R199-V267 WeakPolarHBondContact O-CA 3.32Å; R199-V267 WeakPolarHBondContact O-CG1 3.31Å; L201-V267 HydrophobicContact CD2-CG1 4.03Å; L201-V267 HydrophobicContact CD2-CG2 3.78Å; L201-V267 HydrophobicContact CG-CG1 3.98Å; L201-V267 HydrophobicContact CG-CG2 4.29Å; S259-V267 CarbonylContact C-O 3.6Å; S259-V267 WeakPolarHBondContact CA-O 3.26Å; S259-V267 WeakPolarHBondContact CB-O 3.32Å; L260-V267 HydrophobicContact CB-CB 4.21Å; L260-V267 PolarHBondContact N-O 3.21Å; L260-V267 WeakPolarHBondContact O-CB 3.39Å; L260-V267 PolarHBondContact O-N 2.96Å; I262-V267 HydrophobicContact CB-CG2 3.92Å; I262-V267 HydrophobicContact CD1-CG2 4.25Å; I262-V267 HydrophobicContact CG1-CG2 4.2Å; Q265-V267 PolarHBondContact O-N 2.84Å |
| 268 | S | 86.1 | Confident | 75 | Confident | 41 Ų | 41 | 73 Ų | 73 | 29% | 0.287 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.1 | 173.1 | -155.9 | 0 | 0 | 0 | 0 | 109.6 | R199 H270 | R199-S268 PolarHBondContact N-O 2.7Å; R199-S268 PolarHBondContact O-N 3.05Å; S268-H270 PolarHBondContact OG-NE2 2.87Å |
| 269 | M | 88.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.2 | 171.7 | -52.4 | -159.7 | -67.9 | 0 | 0 | 109.3 | V196 L198 W252 M253 N256 H258 L260 | V196-M269 HydrophobicContact CG1-CB 4.08Å; V196-M269 HydrophobicContact CG1-SD 4.44Å; L198-M269 HydrophobicContact CD2-CB 4.32Å; L198-M269 HydrophobicContact CD2-CG 3.57Å; L198-M269 HydrophobicContact CD2-SD 3.91Å; W252-M269 HydrophobicContact CD2-SD 4.26Å; W252-M269 HydrophobicContact CE3-SD 3.8Å; W252-M269 HydrophobicContact CH2-SD 4.04Å; W252-M269 HydrophobicContact CZ2-SD 4.41Å; W252-M269 HydrophobicContact CZ3-SD 3.7Å; M253-M269 HydrophobicContact CE-CB 4.06Å; M253-M269 HydrophobicContact CG-CE 4.45Å; N256-M269 HydrophobicContact CB-CE 3.51Å; H258-M269 PolarHBondContact O-N 2.94Å; L260-M269 HydrophobicContact CD1-CG 4.28Å; L260-M269 HydrophobicContact CD1-SD 3.7Å; L260-M269 HydrophobicContact CD2-CE 4.12Å; L260-M269 HydrophobicContact CD2-SD 3.75Å; L260-M269 HydrophobicContact CG-CE 4.36Å; L260-M269 HydrophobicContact CG-CG 3.95Å; L260-M269 HydrophobicContact CG-SD 3.52Å; L260-M269 VanDerWaalsContact CG-SD 3.52Å |
| 270 | H | 87.1 | Confident | 71.8 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.1 | 171.1 | -58.5 | -78.1 | 0 | 0 | 0 | 107.7 | E190 M197 S268 S272 | E190-H270 IonicContact OE1-CG 3.5Å; E190-H270 IonicContact OE1-ND1 2.84Å; E190-H270 PolarHBondContact OE1-ND1 3.36Å; M197-H270 PolarHBondContact N-O 3.48Å; M197-H270 PolarHBondContact O-N 3.11Å; S268-H270 PolarHBondContact OG-NE2 2.87Å; H270-S272 PolarHBondContact O-N 3.05Å |
| 271 | Y | 87.3 | Confident | 71.3 | Confident | 32 Ų | 32 | 81.3 Ų | 81.3 | 13% | 0.125 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.9 | 159.7 | -65.6 | -76.6 | 0 | 0 | 0 | 107.8 | E190 A192 S193 V196 A249 T250 M253 | E190-Y271 HydrophobicContact CB-CD2 3.68Å; E190-Y271 HydrophobicContact CB-CE2 4.26Å; E190-Y271 VanDerWaalsContact OE2-CD2 3.28Å; E190-Y271 WeakPolarHBondContact OE2-CD2 3.37Å; A192-Y271 HydrophobicContact CB-CD1 4.41Å; A192-Y271 HydrophobicContact CB-CE1 3.83Å; A192-Y271 HydrophobicContact CB-CE2 4.05Å; S193-Y271 WeakPolarHBondContact O-CD1 3.47Å; V196-Y271 HydrophobicContact CG2-CD1 4.5Å; A249-Y271 HydrophobicContact CB-CE1 4.44Å; T250-Y271 VanDerWaalsContact CA-OH 3.26Å; T250-Y271 WeakPolarHBondContact CA-OH 3.45Å; T250-Y271 VanDerWaalsContact CB-OH 3.31Å; T250-Y271 WeakPolarHBondContact CB-OH 3.33Å; T250-Y271 WeakPolarHBondContact CG2-OH 3.08Å; T250-Y271 PolarHBondContact OG1-OH 3Å; M253-Y271 HydrophobicContact CE-CD1 4.2Å; M253-Y271 HydrophobicContact CE-CD2 4.28Å; M253-Y271 HydrophobicContact CE-CE1 4.41Å; M253-Y271 HydrophobicContact CE-CG 4.17Å; M253-Y271 HydrophobicContact SD-CD1 4.14Å; M253-Y271 HydrophobicContact SD-CD2 3.43Å; M253-Y271 WeakPolarHBondContact SD-CD2 3.29Å; M253-Y271 HydrophobicContact SD-CE1 4.01Å; M253-Y271 HydrophobicContact SD-CE2 3.29Å; M253-Y271 WeakPolarHBondContact SD-CE2 3.38Å; M253-Y271 HydrophobicContact SD-CG 3.9Å |
| 272 | S | 78 | Confident | 71.1 | Confident | 11 Ų | 11 | 76.7 Ų | 76.7 | 8% | 0.077 | 41% | 0.407 | C | S | . | . | trans | -70.3 | 140.7 | 166.5 | 65.4 | 0 | 0 | 0 | 0 | 108.3 | S193 I195 H270 | S193-S272 WeakPolarHBondContact CB-O 3.25Å; S193-S272 PolarHBondContact OG-O 2.77Å; I195-S272 VanDerWaalsContact CB-OG 3.31Å; I195-S272 WeakPolarHBondContact CB-OG 3.5Å; I195-S272 WeakPolarHBondContact CG2-OG 3.44Å; I195-S272 WeakPolarHBondContact O-CB 3.49Å; I195-S272 PolarHBondContact O-N 3.28Å; I195-S272 PolarHBondContact O-OG 3.21Å; H270-S272 PolarHBondContact O-N 3.05Å | ||
| 273 | D | 68.6 | Low | 70.8 | Confident | 130 Ų | 130 | 82 Ų | 82 | 70% | 0.695 | 43% | 0.434 | S | S | * | . | trans | -43.1 | 128.4 | 163.5 | -59.3 | -74.7 | 0 | 0 | 0 | 108.1 | K275 | D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 2.75Å | ||
| 274 | P | 58.7 | Low | 70.8 | Confident | 75 Ų | 75 | 76.9 Ų | 76.9 | 49% | 0.487 | 41% | 0.408 | S | S | . | . | trans | -62.2 | 98.3 | 179.4 | 24.8 | -33.1 | 0 | 0 | 0 | 107.9 | ||||
| 275 | K | 50.6 | Low | 70.7 | Confident | 173 Ų | 173 | 77.7 Ų | 77.7 | 75% | 0.752 | 39% | 0.394 | S | S | * | . | trans | -28.7 | 112.3 | 179.7 | -126.5 | -178.2 | -171.6 | 171 | 0 | 107.4 | D273 K277 | D273-K275 VanDerWaalsContact C-N 3.29Å; D273-K275 PolarHBondContact O-N 2.75Å; K275-K277 PolarHBondContact O-N 2.97Å | ||
| 276 | P | 46.7 | Very low | 70.1 | Confident | 105 Ų | 105 | 79.9 Ų | 79.9 | 68% | 0.682 | 40% | 0.403 | S | S | * | . | trans | -52.4 | 112.1 | -165.5 | 18.4 | -31.8 | 0 | 0 | 0 | 107 | I278 | P276-I278 PolarHBondContact O-N 2.62Š| ||
| 277 | K | 46.9 | Very low | 69.9 | Low | 160 Ų | 160 | 74.9 Ų | 74.9 | 70% | 0.696 | 39% | 0.385 | S | S | * | . | trans | -55.4 | 122 | -172.3 | -70.3 | 179.8 | -178.4 | 175.6 | 0 | 104.3 | K275 N279 E280 | K275-K277 PolarHBondContact O-N 2.97Å; K277-N279 CarbonylContact O-C 3.58Å; K277-N279 PolarHBondContact O-N 3.14Å; K277-E280 WeakPolarHBondContact O-CB 3.26Å; K277-E280 PolarHBondContact O-N 3.34Å | ||
| 278 | I | 50 | Low | 69.1 | Low | 127 Ų | 127 | 77.5 Ų | 77.5 | 65% | 0.651 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -55.7 | -20.6 | -173.2 | -76.7 | 171.6 | 0 | 0 | 0 | 111 | P276 E280 D281 Q290 | P276-I278 PolarHBondContact O-N 2.62Å; I278-E280 VanDerWaalsContact C-N 3.25Å; I278-E280 PolarHBondContact O-N 3.44Å; I278-D281 PolarHBondContact O-N 2.9Å; I278-Q290 PolarHBondContact O-NE2 3.11Å |
| 279 | N | 47 | Very low | 68.7 | Low | 148 Ų | 148 | 77.2 Ų | 77.2 | 79% | 0.791 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -70.8 | 7.5 | 168.9 | -47 | -13.3 | 0 | 0 | 0 | 116.1 | K277 | K277-N279 CarbonylContact O-C 3.58Å; K277-N279 PolarHBondContact O-N 3.14Å |
| 280 | E | 49.9 | Very low | 68.3 | Low | 103 Ų | 103 | 81 Ų | 81 | 48% | 0.481 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -82.2 | -18.5 | 166.8 | -80.7 | -122.2 | 128.3 | 0 | 0 | 112.2 | K277 I278 K293 | K277-E280 WeakPolarHBondContact O-CB 3.26Å; K277-E280 PolarHBondContact O-N 3.34Å; I278-E280 VanDerWaalsContact C-N 3.25Å; I278-E280 PolarHBondContact O-N 3.44Å; E280-K293 HydrophobicContact CB-CD 4.45Å; E280-K293 WeakPolarHBondContact O-CB 3.27Å; E280-K293 IonicContact OE1-NZ 2.76Å; E280-K293 PolarHBondContact OE1-NZ 3.05Å; E280-K293 WeakPolarHBondContact OE2-CD 3.32Å; E280-K293 WeakPolarHBondContact OE2-CE 3.29Å; E280-K293 IonicContact OE2-NZ 3.39Å; E280-K293 PolarHBondContact OE2-NZ 3.16Å |
| 281 | D | 74 | Confident | 67.9 | Low | 38 Ų | 38 | 78.6 Ų | 78.6 | 20% | 0.203 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -81.3 | 125.3 | 170.7 | -72.6 | -9.6 | 0 | 0 | 0 | 109.5 | I278 L283 Q290 N291 F292 K293 | I278-D281 PolarHBondContact O-N 2.9Å; D281-L283 PolarHBondContact O-N 3.33Å; D281-Q290 HydrophobicContact CB-CG 3.42Å; D281-Q290 VanDerWaalsContact CB-CG 3.42Å; D281-N291 CarbonylContact C-O 3.51Å; D281-N291 VanDerWaalsContact CA-O 3.25Å; D281-N291 WeakPolarHBondContact CA-O 3.48Å; D281-N291 WeakPolarHBondContact CB-O 3.37Å; D281-F292 VanDerWaalsContact OD1-CA 3.23Å; D281-F292 WeakPolarHBondContact OD1-CA 3.47Å; D281-F292 WeakPolarHBondContact OD2-CD1 3.3Å; D281-K293 PolarHBondContact OD1-N 3.29Å; D281-K293 VanDerWaalsContact OD1-N 3.12Å |
| 282 | W | 78.4 | Confident | 67.6 | Low | 16 Ų | 16 | 82 Ų | 82 | 6% | 0.061 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.1 | -173 | 63.2 | -82.4 | 0 | 0 | 0 | 110.9 | C284 N291 R295 C298 K305 A308 | W282-C284 HydrophobicContact CE3-CB 3.9Å; W282-C284 HydrophobicContact CH2-CB 4.18Å; W282-C284 HydrophobicContact CZ3-CB 3.35Å; W282-C284 PolarHBondContact O-N 2.81Å; W282-N291 HydrophobicContact CD2-CB 3.93Å; W282-N291 HydrophobicContact CG-CB 4.26Å; W282-N291 HydrophobicContact CH2-CB 4.5Å; W282-N291 HydrophobicContact CZ2-CB 3.84Å; W282-N291 PolarHBondContact N-O 3.37Å; W282-N291 WeakPolarHBondContact O-CB 3.26Å; W282-N291 PolarHBondContact O-N 2.87Å; W282-N291 PolarHBondContact O-ND2 2.96Å; W282-R295 VanDerWaalsContact CE2-O 3.32Å; W282-R295 WeakPolarHBondContact CZ2-O 3.44Å; W282-R295 PolarHBondContact NE1-O 2.95Å; W282-C298 HydrophobicContact CH2-CB 4.15Å; W282-K305 VanDerWaalsContact CD1-CE 3.49Å; W282-K305 HydrophobicContact CD2-CB 4.2Å; W282-K305 HydrophobicContact CD2-CD 4.09Å; W282-K305 HydrophobicContact CD2-CG 3.74Å; W282-K305 HydrophobicContact CE3-CB 4.44Å; W282-K305 HydrophobicContact CE3-CG 4.14Å; W282-K305 HydrophobicContact CG-CD 3.92Å; W282-K305 HydrophobicContact CG-CG 4.02Å; W282-K305 HydrophobicContact CH2-CB 4.01Å; W282-K305 HydrophobicContact CZ2-CB 3.75Å; W282-K305 HydrophobicContact CZ2-CG 4.22Å; W282-K305 HydrophobicContact CZ3-CB 4.34Å; W282-A308 HydrophobicContact CE3-CB 3.88Å; W282-A308 HydrophobicContact CH2-CB 4.28Å; W282-A308 HydrophobicContact CZ3-CB 3.32Å |
| 283 | L | 76.4 | Confident | 67.6 | Low | 118 Ų | 118 | 87 Ų | 87 | 62% | 0.618 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 119.4 | 168.8 | -66.4 | 167.2 | 0 | 0 | 0 | 108.1 | D281 N285 Q290 | D281-L283 PolarHBondContact O-N 3.33Å; L283-N285 PolarHBondContact O-N 3.4Å; L283-Q290 HydrophobicContact CD2-CB 3.87Å; L283-Q290 HydrophobicContact CD2-CG 4.39Å |
| 284 | C | 80.7 | Confident | 68 | Low | 1 Ų | 1 | 90 Ų | 90 | 1% | 0.007 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 122.7 | 177 | 173.8 | 0 | 0 | 0 | 0 | 110.5 | W282 K286 C287 G288 V289 N291 C298 A308 | W282-C284 HydrophobicContact CE3-CB 3.9Å; W282-C284 HydrophobicContact CH2-CB 4.18Å; W282-C284 HydrophobicContact CZ3-CB 3.35Å; W282-C284 PolarHBondContact O-N 2.81Å; C284-K286 PolarHBondContact O-N 3Å; C284-K286 VanDerWaalsContact O-N 3.09Å; C284-C287 WeakPolarHBondContact CB-SG 3.5Å; C284-C287 PolarHBondContact O-N 3.47Å; C284-C287 PolarHBondContact SG-SG 3.35Å; C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 2.69Å; C284-V289 PolarHBondContact N-O 3.47Å; C284-N291 WeakPolarHBondContact CB-ND2 3.5Å; C284-C298 HydrophobicContact CB-CB 3.99Å; C284-A308 HydrophobicContact CB-CB 4.3Å |
| 285 | N | 75.6 | Confident | 68.8 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 50% | 0.497 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30 | 178.3 | 65.3 | 1.1 | 0 | 0 | 0 | 114.7 | L283 E307 A308 | L283-N285 PolarHBondContact O-N 3.4Å; N285-E307 PolarHBondContact ND2-O 3.34Å; N285-A308 WeakPolarHBondContact ND2-CA 3.43Å; N285-A308 PolarHBondContact ND2-O 2.81Å; N285-A308 WeakPolarHBondContact OD1-CA 3.15Å |
| 286 | K | 68.6 | Low | 70.2 | Confident | 120 Ų | 120 | 90.2 Ų | 90.2 | 52% | 0.522 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -38.2 | -178.6 | -54.7 | -154.2 | -163.8 | 166.8 | 0 | 114.5 | C284 V303 E307 | C284-K286 PolarHBondContact O-N 3Å; C284-K286 VanDerWaalsContact O-N 3.09Å; K286-V303 HydrophobicContact CB-CG2 4.18Å; K286-V303 HydrophobicContact CD-CG1 4.18Å; K286-V303 HydrophobicContact CD-CG2 3.72Å; K286-V303 HydrophobicContact CG-CG1 4.19Å; K286-V303 HydrophobicContact CG-CG2 4.22Å; K286-E307 WeakPolarHBondContact CE-OE2 3.25Å; K286-E307 IonicContact NZ-OE1 2.67Å; K286-E307 PolarHBondContact NZ-OE1 3.48Å; K286-E307 IonicContact NZ-OE2 2.9Å; K286-E307 PolarHBondContact NZ-OE2 2.89Å |
| 287 | C | 81.1 | Confident | 72.1 | Confident | 31 Ų | 31 | 91.5 Ų | 91.5 | 21% | 0.209 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -7.7 | -175.3 | 59 | 0 | 0 | 0 | 0 | 114.1 | C284 V289 C298 C301 | C284-C287 WeakPolarHBondContact CB-SG 3.5Å; C284-C287 PolarHBondContact O-N 3.47Å; C284-C287 PolarHBondContact SG-SG 3.35Å; C287-V289 HydrophobicContact CB-CG2 4.17Å; C287-V289 PolarHBondContact O-N 2.97Å; C287-V289 WeakPolarHBondContact SG-CG2 3.49Å; C287-C298 WeakPolarHBondContact CB-SG 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.24Å; C287-C298 CovalentContact SG-SG 2.05Å; C287-C298 PolarHBondContact SG-SG 2.95Å; C287-C301 HydrophobicContact CB-CB 4.02Å; C287-C301 WeakPolarHBondContact CB-SG 3.19Å; C287-C301 VanDerWaalsContact SG-SG 3.61Å |
| 288 | G | 70.6 | Confident | 74 | Confident | 55 Ų | 55 | 84 Ų | 84 | 57% | 0.567 | 41% | 0.407 | S | S | * | . | trans | 67 | -20 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | C284 | C284-G288 WeakPolarHBondContact O-CA 3.38Å; C284-G288 PolarHBondContact O-N 2.69Å | ||
| 289 | V | 78.6 | Confident | 75.5 | Confident | 35 Ų | 35 | 83.6 Ų | 83.6 | 21% | 0.212 | 40% | 0.401 | C | S | . | . | trans | -72.9 | 145.7 | -177.7 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | C284 C287 N291 C298 F299 K300 | C284-V289 PolarHBondContact N-O 3.47Å; C287-V289 HydrophobicContact CB-CG2 4.17Å; C287-V289 PolarHBondContact O-N 2.97Å; C287-V289 WeakPolarHBondContact SG-CG2 3.49Å; V289-N291 PolarHBondContact O-ND2 2.95Å; V289-C298 VanDerWaalsContact CG2-SG 3.56Å; V289-F299 HydrophobicContact CB-CE1 3.77Å; V289-F299 HydrophobicContact CB-CZ 3.91Å; V289-F299 HydrophobicContact CG1-CZ 4.17Å; V289-F299 HydrophobicContact CG2-CD1 4.07Å; V289-F299 HydrophobicContact CG2-CE1 3.58Å; V289-F299 HydrophobicContact CG2-CZ 3.86Å; V289-K300 HydrophobicContact CG1-CD 3.98Å; V289-K300 HydrophobicContact CG2-CB 3.9Å | ||
| 290 | Q | 79 | Confident | 76.7 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 37% | 0.374 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 117.4 | 175.3 | -173.1 | 165.5 | 22.9 | 0 | 0 | 109.8 | I278 D281 L283 F299 | I278-Q290 PolarHBondContact O-NE2 3.11Å; D281-Q290 HydrophobicContact CB-CG 3.42Å; D281-Q290 VanDerWaalsContact CB-CG 3.42Å; L283-Q290 HydrophobicContact CD2-CB 3.87Å; L283-Q290 HydrophobicContact CD2-CG 4.39Å; Q290-F299 WeakPolarHBondContact O-CE1 3.45Å |
| 291 | N | 79.6 | Confident | 78.4 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.8 | -177.4 | -59.3 | -78.3 | 0 | 0 | 0 | 109.9 | D281 W282 C284 V289 K293 C298 F299 | D281-N291 CarbonylContact C-O 3.51Å; D281-N291 VanDerWaalsContact CA-O 3.25Å; D281-N291 WeakPolarHBondContact CA-O 3.48Å; D281-N291 WeakPolarHBondContact CB-O 3.37Å; W282-N291 HydrophobicContact CD2-CB 3.93Å; W282-N291 HydrophobicContact CG-CB 4.26Å; W282-N291 HydrophobicContact CH2-CB 4.5Å; W282-N291 HydrophobicContact CZ2-CB 3.84Å; W282-N291 PolarHBondContact N-O 3.37Å; W282-N291 WeakPolarHBondContact O-CB 3.26Å; W282-N291 PolarHBondContact O-N 2.87Å; W282-N291 PolarHBondContact O-ND2 2.96Å; C284-N291 WeakPolarHBondContact CB-ND2 3.5Å; V289-N291 PolarHBondContact O-ND2 2.95Å; N291-K293 PolarHBondContact O-N 3.03Å; N291-C298 VanDerWaalsContact OD1-CA 3.25Å; N291-C298 WeakPolarHBondContact OD1-CA 3.25Å; N291-F299 WeakPolarHBondContact OD1-CD1 3.31Å; N291-F299 PolarHBondContact OD1-N 2.94Å |
| 292 | F | 80.3 | Confident | 78.6 | Confident | 103 Ų | 103 | 81.9 Ų | 81.9 | 45% | 0.452 | 40% | 0.402 | S | S | . | . | trans | -45.9 | 131.1 | 174.1 | -67.1 | -58.6 | 0 | 0 | 0 | 111.5 | D281 R294 R295 | D281-F292 VanDerWaalsContact OD1-CA 3.23Å; D281-F292 WeakPolarHBondContact OD1-CA 3.47Å; D281-F292 WeakPolarHBondContact OD2-CD1 3.3Å; F292-R294 PolarHBondContact O-N 3.34Å; F292-R295 WeakPolarHBondContact O-CB 3.42Å; F292-R295 PolarHBondContact O-N 2.91Å | ||
| 293 | K | 78.6 | Confident | 78.8 | Confident | 115 Ų | 115 | 81.9 Ų | 81.9 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | -33.8 | -178.5 | -164.3 | -178 | -166.7 | 176.7 | 0 | 114.6 | E280 D281 N291 R295 | E280-K293 HydrophobicContact CB-CD 4.45Å; E280-K293 WeakPolarHBondContact O-CB 3.27Å; E280-K293 IonicContact OE1-NZ 2.76Å; E280-K293 PolarHBondContact OE1-NZ 3.05Å; E280-K293 WeakPolarHBondContact OE2-CD 3.32Å; E280-K293 WeakPolarHBondContact OE2-CE 3.29Å; E280-K293 IonicContact OE2-NZ 3.39Å; E280-K293 PolarHBondContact OE2-NZ 3.16Å; D281-K293 PolarHBondContact OD1-N 3.29Å; D281-K293 VanDerWaalsContact OD1-N 3.12Å; N291-K293 PolarHBondContact O-N 3.03Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 PolarHBondContact O-N 2.69Å |
| 294 | R | 76.2 | Confident | 79.1 | Confident | 193 Ų | 193 | 78.5 Ų | 78.5 | 73% | 0.728 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13.8 | 178 | -65.7 | 178.8 | -74.7 | 139.7 | -4.9 | 115.7 | F292 | F292-R294 PolarHBondContact O-N 3.34Š|
| 295 | R | 74.9 | Confident | 79.1 | Confident | 113 Ų | 113 | 81.3 Ų | 81.3 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | trans | -95.3 | 115.1 | -179.7 | -72 | -177.9 | 167.5 | 160.1 | -3.9 | 109.5 | W282 F292 K293 K297 F299 | W282-R295 VanDerWaalsContact CE2-O 3.32Å; W282-R295 WeakPolarHBondContact CZ2-O 3.44Å; W282-R295 PolarHBondContact NE1-O 2.95Å; F292-R295 WeakPolarHBondContact O-CB 3.42Å; F292-R295 PolarHBondContact O-N 2.91Å; K293-R295 VanDerWaalsContact C-N 3.34Å; K293-R295 PolarHBondContact O-N 2.69Å; R295-K297 PolarHBondContact O-N 3.36Å; R295-F299 VanDerWaalsContact NH1-CB 3.31Å | ||
| 296 | E | 80.6 | Confident | 79.1 | Confident | 140 Ų | 140 | 81.2 Ų | 81.2 | 65% | 0.654 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -75.3 | -3.9 | 175.8 | -60.1 | -176.7 | 153.6 | 0 | 0 | 113.7 | P304 K305 | E296-P304 CarbonylContact O-C 3.59Å; E296-P304 VanDerWaalsContact O-CA 3.28Å; E296-P304 WeakPolarHBondContact O-CA 3.45Å; E296-K305 PolarHBondContact O-N 3.06Å |
| 297 | K | 87 | Confident | 79.2 | Confident | 132 Ų | 132 | 79.3 Ų | 79.3 | 57% | 0.574 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -138.2 | 144.7 | -176.7 | -65.5 | -179.1 | -175.8 | 179.4 | 0 | 110.9 | R295 F299 G302 V303 | R295-K297 PolarHBondContact O-N 3.36Å; K297-F299 PolarHBondContact O-N 2.93Å; K297-G302 WeakPolarHBondContact CB-O 3.36Å; K297-G302 WeakPolarHBondContact CG-O 3.49Å; K297-V303 CarbonylContact C-O 3.57Å; K297-V303 VanDerWaalsContact CA-O 3.3Å; K297-V303 WeakPolarHBondContact CA-O 3.28Å |
| 298 | C | 86.7 | Confident | 78.5 | Confident | 4 Ų | 4 | 78.2 Ų | 78.2 | 3% | 0.027 | 39% | 0.394 | C | S | . | . | trans | -61.6 | 125.8 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 109.5 | W282 C284 C287 V289 N291 K300 C301 G302 V303 | W282-C298 HydrophobicContact CH2-CB 4.15Å; C284-C298 HydrophobicContact CB-CB 3.99Å; C287-C298 WeakPolarHBondContact CB-SG 3.4Å; C287-C298 WeakPolarHBondContact SG-CB 3.24Å; C287-C298 CovalentContact SG-SG 2.05Å; C287-C298 PolarHBondContact SG-SG 2.95Å; V289-C298 VanDerWaalsContact CG2-SG 3.56Å; N291-C298 VanDerWaalsContact OD1-CA 3.25Å; N291-C298 WeakPolarHBondContact OD1-CA 3.25Å; C298-K300 PolarHBondContact O-N 3.36Å; C298-K300 PolarHBondContact SG-N 3.47Å; C298-K300 VanDerWaalsContact SG-N 3.38Å; C298-C301 VanDerWaalsContact CB-SG 3.53Å; C298-C301 PolarHBondContact O-N 3.04Å; C298-C301 PolarHBondContact SG-N 2.93Å; C298-C301 VanDerWaalsContact SG-N 3.44Å; C298-C301 PolarHBondContact SG-SG 3.41Å; C298-G302 WeakPolarHBondContact O-CA 3.47Å; C298-G302 PolarHBondContact O-N 3.28Å; C298-V303 HydrophobicContact CB-CB 4.48Å; C298-V303 PolarHBondContact N-O 3.32Å | ||
| 299 | F | 82.3 | Confident | 77.8 | Confident | 117 Ų | 117 | 80.7 Ų | 80.7 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16.9 | -175.7 | 77.5 | -102 | 0 | 0 | 0 | 113.5 | V289 Q290 N291 R295 K297 | V289-F299 HydrophobicContact CB-CE1 3.77Å; V289-F299 HydrophobicContact CB-CZ 3.91Å; V289-F299 HydrophobicContact CG1-CZ 4.17Å; V289-F299 HydrophobicContact CG2-CD1 4.07Å; V289-F299 HydrophobicContact CG2-CE1 3.58Å; V289-F299 HydrophobicContact CG2-CZ 3.86Å; Q290-F299 WeakPolarHBondContact O-CE1 3.45Å; N291-F299 WeakPolarHBondContact OD1-CD1 3.31Å; N291-F299 PolarHBondContact OD1-N 2.94Å; R295-F299 VanDerWaalsContact NH1-CB 3.31Å; K297-F299 PolarHBondContact O-N 2.93Å |
| 300 | K | 72.4 | Confident | 75.9 | Confident | 151 Ų | 151 | 86.5 Ų | 86.5 | 66% | 0.657 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -20.8 | -176.3 | -165.2 | 174.3 | 179.7 | -176 | 0 | 114.6 | V289 C298 | V289-K300 HydrophobicContact CG1-CD 3.98Å; V289-K300 HydrophobicContact CG2-CB 3.9Å; C298-K300 PolarHBondContact O-N 3.36Å; C298-K300 PolarHBondContact SG-N 3.47Å; C298-K300 VanDerWaalsContact SG-N 3.38Å |
| 301 | C | 83.9 | Confident | 73.8 | Confident | 60 Ų | 60 | 92 Ų | 92 | 41% | 0.405 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.6 | 4.3 | -179.6 | 74.4 | 0 | 0 | 0 | 0 | 115.5 | C287 C298 V303 | C287-C301 HydrophobicContact CB-CB 4.02Å; C287-C301 WeakPolarHBondContact CB-SG 3.19Å; C287-C301 VanDerWaalsContact SG-SG 3.61Å; C298-C301 VanDerWaalsContact CB-SG 3.53Å; C298-C301 PolarHBondContact O-N 3.04Å; C298-C301 PolarHBondContact SG-N 2.93Å; C298-C301 VanDerWaalsContact SG-N 3.44Å; C298-C301 PolarHBondContact SG-SG 3.41Å; C301-V303 HydrophobicContact CB-CG2 4.45Å; C301-V303 PolarHBondContact O-N 3.49Å; C301-V303 WeakPolarHBondContact SG-CG2 3.24Å |
| 302 | G | 79 | Confident | 71.4 | Confident | 43 Ų | 43 | 99.7 Ų | 99.7 | 44% | 0.443 | 48% | 0.479 | S | S | . | . | trans | 72.3 | -12.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | K297 C298 | K297-G302 WeakPolarHBondContact CB-O 3.36Å; K297-G302 WeakPolarHBondContact CG-O 3.49Å; C298-G302 WeakPolarHBondContact O-CA 3.47Å; C298-G302 PolarHBondContact O-N 3.28Å | ||
| 303 | V | 83.3 | Confident | 69.1 | Low | 16 Ų | 16 | 100.7 Ų | 100.7 | 10% | 0.097 | 50% | 0.496 | C | S | . | . | trans | -52.2 | 126.7 | 179.6 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | K286 K297 C298 C301 E307 A308 | K286-V303 HydrophobicContact CB-CG2 4.18Å; K286-V303 HydrophobicContact CD-CG1 4.18Å; K286-V303 HydrophobicContact CD-CG2 3.72Å; K286-V303 HydrophobicContact CG-CG1 4.19Å; K286-V303 HydrophobicContact CG-CG2 4.22Å; K297-V303 CarbonylContact C-O 3.57Å; K297-V303 VanDerWaalsContact CA-O 3.3Å; K297-V303 WeakPolarHBondContact CA-O 3.28Å; C298-V303 HydrophobicContact CB-CB 4.48Å; C298-V303 PolarHBondContact N-O 3.32Å; C301-V303 HydrophobicContact CB-CG2 4.45Å; C301-V303 PolarHBondContact O-N 3.49Å; C301-V303 WeakPolarHBondContact SG-CG2 3.24Å; V303-E307 HydrophobicContact CG1-CB 4.24Å; V303-A308 HydrophobicContact CG1-CB 4.31Å | ||
| 304 | P | 81.8 | Confident | 67 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 31% | 0.305 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 148 | -179.7 | 29.3 | -34 | 0 | 0 | 0 | 112 | E296 S306 E307 A308 | E296-P304 CarbonylContact O-C 3.59Å; E296-P304 VanDerWaalsContact O-CA 3.28Å; E296-P304 WeakPolarHBondContact O-CA 3.45Å; P304-S306 PolarHBondContact O-N 3.31Å; P304-E307 HydrophobicContact CG-CB 3.9Å; P304-E307 PolarHBondContact O-N 3.09Å; P304-A308 PolarHBondContact O-N 3.19Å; P304-A308 VanDerWaalsContact O-N 3.13Å |
| 305 | K | 80.6 | Confident | 64.7 | Low | 59 Ų | 59 | 98 Ų | 98 | 26% | 0.257 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -53.4 | -37.6 | -178.7 | -175.9 | 173.4 | -173.4 | -74.9 | 0 | 112.7 | W282 E296 A308 E309 | W282-K305 VanDerWaalsContact CD1-CE 3.49Å; W282-K305 HydrophobicContact CD2-CB 4.2Å; W282-K305 HydrophobicContact CD2-CD 4.09Å; W282-K305 HydrophobicContact CD2-CG 3.74Å; W282-K305 HydrophobicContact CE3-CB 4.44Å; W282-K305 HydrophobicContact CE3-CG 4.14Å; W282-K305 HydrophobicContact CG-CD 3.92Å; W282-K305 HydrophobicContact CG-CG 4.02Å; W282-K305 HydrophobicContact CH2-CB 4.01Å; W282-K305 HydrophobicContact CZ2-CB 3.75Å; W282-K305 HydrophobicContact CZ2-CG 4.22Å; W282-K305 HydrophobicContact CZ3-CB 4.34Å; E296-K305 PolarHBondContact O-N 3.06Å; K305-A308 CarbonylContact O-C 3.46Å; K305-A308 WeakPolarHBondContact O-CA 3.31Å; K305-A308 WeakPolarHBondContact O-CB 3.18Å; K305-A308 PolarHBondContact O-N 3.45Å; K305-E309 WeakPolarHBondContact CE-OE1 3.12Å; K305-E309 HydrophobicContact CG-CG 4.3Å; K305-E309 WeakPolarHBondContact CG-OE2 3.45Å; K305-E309 IonicContact NZ-OE1 2.74Å; K305-E309 PolarHBondContact NZ-OE1 2.87Å; K305-E309 IonicContact NZ-OE2 2.77Å; K305-E309 PolarHBondContact NZ-OE2 3.29Å; K305-E309 WeakPolarHBondContact O-CG 3.27Å; K305-E309 PolarHBondContact O-N 3.47Å |
| 306 | S | 76 | Confident | 62.4 | Low | 92 Ų | 92 | 99.6 Ų | 99.6 | 64% | 0.643 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.9 | -37 | 177 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | P304 | P304-S306 PolarHBondContact O-N 3.31Å |
| 307 | E | 71.6 | Confident | 60 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.4 | -21.9 | 172.4 | -165.4 | -174.2 | -161.4 | 0 | 0 | 111.2 | N285 K286 V303 P304 | N285-E307 PolarHBondContact ND2-O 3.34Å; K286-E307 WeakPolarHBondContact CE-OE2 3.25Å; K286-E307 IonicContact NZ-OE1 2.67Å; K286-E307 PolarHBondContact NZ-OE1 3.48Å; K286-E307 IonicContact NZ-OE2 2.9Å; K286-E307 PolarHBondContact NZ-OE2 2.89Å; V303-E307 HydrophobicContact CG1-CB 4.24Å; P304-E307 HydrophobicContact CG-CB 3.9Å; P304-E307 PolarHBondContact O-N 3.09Å |
| 308 | A | 65.8 | Low | 57.2 | Low | 9 Ų | 9 | 104.4 Ų | 104.4 | 7% | 0.074 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -88.2 | -17.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | W282 C284 N285 V303 P304 K305 | W282-A308 HydrophobicContact CE3-CB 3.88Å; W282-A308 HydrophobicContact CH2-CB 4.28Å; W282-A308 HydrophobicContact CZ3-CB 3.32Å; C284-A308 HydrophobicContact CB-CB 4.3Å; N285-A308 WeakPolarHBondContact ND2-CA 3.43Å; N285-A308 PolarHBondContact ND2-O 2.81Å; N285-A308 WeakPolarHBondContact OD1-CA 3.15Å; V303-A308 HydrophobicContact CG1-CB 4.31Å; P304-A308 PolarHBondContact O-N 3.19Å; P304-A308 VanDerWaalsContact O-N 3.13Å; K305-A308 CarbonylContact O-C 3.46Å; K305-A308 WeakPolarHBondContact O-CA 3.31Å; K305-A308 WeakPolarHBondContact O-CB 3.18Å; K305-A308 PolarHBondContact O-N 3.45Å |
| 309 | E | 56.3 | Low | 54.5 | Low | 106 Ų | 106 | 109 Ų | 109 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | trans | -102.7 | 23.9 | -176.9 | -75 | -177.2 | 138.6 | 0 | 0 | 113.8 | K305 K311 | K305-E309 WeakPolarHBondContact CE-OE1 3.12Å; K305-E309 HydrophobicContact CG-CG 4.3Å; K305-E309 WeakPolarHBondContact CG-OE2 3.45Å; K305-E309 IonicContact NZ-OE1 2.74Å; K305-E309 PolarHBondContact NZ-OE1 2.87Å; K305-E309 IonicContact NZ-OE2 2.77Å; K305-E309 PolarHBondContact NZ-OE2 3.29Å; K305-E309 WeakPolarHBondContact O-CG 3.27Å; K305-E309 PolarHBondContact O-N 3.47Å; E309-K311 PolarHBondContact O-N 3.06Å | ||
| 310 | Q | 38.4 | Very low | 52.1 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 74% | 0.738 | 59% | 0.594 | S | S | * | * | trans | -73 | 78.2 | 175.5 | -69 | -167.8 | -8.7 | 0 | 0 | 112.6 | ||||
| 311 | K | 35.4 | Very low | 50 | Low | 194 Ų | 194 | 112.5 Ų | 112.5 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | trans | 23.4 | 123 | 158.1 | -61.1 | -175.7 | -178.9 | 178.8 | 0 | 119.9 | E309 | E309-K311 PolarHBondContact O-N 3.06Š| ||
| 312 | L | 27.6 | Very low | 47.4 | Very low | 163 Ų | 163 | 115.3 Ų | 115.3 | 85% | 0.853 | 62% | 0.62 | S | S | * | * | trans | -109.1 | 156.2 | 136.8 | -77.2 | 173.6 | 0 | 0 | 0 | 109.4 | ||||
| 313 | P | 32.6 | Very low | 45.2 | Very low | 124 Ų | 124 | 120.4 Ų | 120.4 | 81% | 0.805 | 64% | 0.636 | S | S | * | * | trans | -74 | 167.2 | -178.9 | 30.4 | -35.5 | 0 | 0 | 0 | 113.7 | ||||
| 314 | L | 35 | Very low | 43.5 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 94% | 0.942 | 66% | 0.663 | S | S | * | * | trans | -100.4 | 145 | -176.2 | -70.1 | 168 | 0 | 0 | 0 | 112.6 | ||||
| 315 | G | 27.7 | Very low | 41.1 | Very low | 70 Ų | 70 | 131 Ų | 131 | 72% | 0.722 | 69% | 0.694 | S | S | * | * | trans | 114.5 | 139.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 316 | T | 27.1 | Very low | 38.4 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | cis | -141.2 | 149.4 | -0.5 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 317 | R | 29.3 | Very low | 36.1 | Very low | 203 Ų | 203 | 131.1 Ų | 131.1 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | trans | -110.7 | 126.6 | 163.9 | 174.1 | 178.4 | 167.1 | 175.3 | -2.9 | 108 | D319 | R317-D319 IonicContact CZ-OD1 3.09Å; R317-D319 IonicContact CZ-OD2 2.84Å; R317-D319 IonicContact NE-OD1 3.21Å; R317-D319 PolarHBondContact NE-OD1 3.27Å; R317-D319 IonicContact NE-OD2 2.69Å; R317-D319 PolarHBondContact NE-OD2 2.81Å; R317-D319 VanDerWaalsContact NH2-CG 3.26Å; R317-D319 IonicContact NH2-OD1 2.61Å; R317-D319 PolarHBondContact NH2-OD1 3.47Å; R317-D319 IonicContact NH2-OD2 2.71Å; R317-D319 PolarHBondContact NH2-OD2 2.84Å | ||
| 318 | L | 28.7 | Very low | 34.2 | Very low | 170 Ų | 170 | 138.7 Ų | 138.7 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | trans | -96.6 | 149.8 | 166.6 | -152.3 | 77.9 | 0 | 0 | 0 | 108.8 | ||||
| 319 | D | 29.4 | Very low | 32.5 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 54% | 0.54 | 78% | 0.783 | S | S | . | * | trans | -134.4 | 138 | 176.7 | -96.5 | -50.2 | 0 | 0 | 0 | 111.4 | R317 | R317-D319 IonicContact CZ-OD1 3.09Å; R317-D319 IonicContact CZ-OD2 2.84Å; R317-D319 IonicContact NE-OD1 3.21Å; R317-D319 PolarHBondContact NE-OD1 3.27Å; R317-D319 IonicContact NE-OD2 2.69Å; R317-D319 PolarHBondContact NE-OD2 2.81Å; R317-D319 VanDerWaalsContact NH2-CG 3.26Å; R317-D319 IonicContact NH2-OD1 2.61Å; R317-D319 PolarHBondContact NH2-OD1 3.47Å; R317-D319 IonicContact NH2-OD2 2.71Å; R317-D319 PolarHBondContact NH2-OD2 2.84Å | ||
| 320 | Q | 31.4 | Very low | 31.2 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | 72.8 | 122.4 | 140.6 | -163.4 | 175.7 | 115.6 | 0 | 0 | 121.3 | ||||
| 321 | Q | 28.5 | Very low | 31 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | -170 | 177.1 | 128.1 | -102.3 | 163.4 | 34.3 | 0 | 0 | 113 | |||||
| 322 | T | 31.1 | Very low | 30.8 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -150.7 | 172.9 | -141.2 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 323 | L | 30.8 | Very low | 30.9 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -144.8 | -71.9 | 7.1 | -139.9 | 175.2 | 0 | 0 | 0 | 117.7 | ||||
| 324 | P | 48.4 | Very low | 30.7 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | -123.7 | 152.6 | -124.2 | 38.9 | -29.2 | 0 | 0 | 0 | 120 | |||||
| 325 | L | 30.8 | Very low | 30.7 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | 152.8 | 147.3 | 147.7 | -86 | 163 | 0 | 0 | 0 | 107.5 | ||||
| 326 | G | 25.2 | Very low | 30.8 | Very low | 77 Ų | 77 | 145 Ų | 145 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | 161 | 117.4 | -4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 327 | G | 27.1 | Very low | 31.2 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -118.9 | 158.3 | -161 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 328 | R | 31.5 | Very low | 31.3 | Very low | 238 Ų | 238 | 141.6 Ų | 141.6 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -169.4 | -175.5 | 153.3 | -108.7 | 165.7 | -168.8 | -110.8 | -2.3 | 111.9 | ||||
| 329 | E | 29.3 | Very low | 31.2 | Very low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -111.8 | 171.6 | -145.8 | -58.1 | 161.5 | 84.1 | 0 | 0 | 117.4 | ||||
| 330 | L | 29.3 | Very low | 32.4 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 80.7 | 104.5 | 143.8 | -81.8 | 161.8 | 0 | 0 | 0 | 123.1 | ||||
| 331 | S | 35.6 | Very low | 32.1 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 81% | 0.805 | S | S | * | * | 59.6 | 112.8 | 126.5 | 66.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 332 | Q | 30.8 | Very low | 32 | Very low | 203 Ų | 203 | 143.5 Ų | 143.5 | 95% | 0.949 | 80% | 0.798 | S | S | * | * | trans | -179.9 | 150.7 | 136.6 | -98.3 | 161.2 | 36.2 | 0 | 0 | 108.3 | ||||
| 333 | G | 29.3 | Very low | 31.8 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 159.9 | 111.9 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 334 | L | 28.3 | Very low | 31.6 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | 89.9 | 155.5 | 166.3 | -58.1 | 170 | 0 | 0 | 0 | 120.6 | ||||
| 335 | L | 35.3 | Very low | 30.7 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -117.9 | 177.1 | -171.9 | -60.9 | 163.8 | 0 | 0 | 0 | 110.2 | ||||
| 336 | P | 30.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 140.3 Ų | 140.3 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | -148.2 | 163.3 | 91.9 | 38.6 | -22 | 0 | 0 | 0 | 116.8 | |||||
| 337 | L | 35.4 | Very low | 30.8 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -106.1 | 145 | 165.6 | -97 | 146.4 | 0 | 0 | 0 | 110.1 | ||||
| 338 | P | 31.1 | Very low | 30.9 | Very low | 121 Ų | 121 | 144.1 Ų | 144.1 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | trans | -94.4 | 162.7 | 160.7 | 35 | -30.4 | 0 | 0 | 0 | 112.7 | ||||
| 339 | Q | 25.6 | Very low | 30.9 | Very low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | trans | -105.1 | 168.8 | -172.4 | -95.1 | 178.6 | -27.3 | 0 | 0 | 113.9 | ||||
| 340 | P | 56.2 | Low | 31 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -98.1 | 165.6 | -167.5 | 38.4 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 341 | Y | 23.9 | Very low | 30.9 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -169.9 | 135 | 140.6 | -120.9 | -130.6 | 0 | 0 | 0 | 112.6 | ||||
| 342 | Q | 25.7 | Very low | 30.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | 42.7 | 150.6 | 124.6 | -62.6 | -168.1 | 15.6 | 0 | 0 | 122.7 | |||||
| 343 | A | 27.9 | Very low | 30.3 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 63% | 0.628 | 78% | 0.782 | S | S | * | * | cis | -172.7 | -168.4 | -12.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 344 | Q | 27.3 | Very low | 30.3 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 94% | 0.944 | 79% | 0.793 | S | S | * | * | trans | 85 | 135.8 | 166.4 | -54.3 | 171.8 | -92.1 | 0 | 0 | 117.7 | ||||
| 345 | G | 27.9 | Very low | 30.2 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | 173.4 | -174 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 346 | V | 28.6 | Very low | 29.9 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | 68.9 | 133.1 | 173.8 | 165.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 347 | L | 29.6 | Very low | 29.7 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | cis | -149.1 | 144.5 | -18.1 | -93.3 | 169.8 | 0 | 0 | 0 | 105.5 | ||||
| 348 | A | 29.3 | Very low | 29.7 | Very low | 84 Ų | 84 | 133.1 Ų | 133.1 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | 56.8 | 134.6 | 76.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 349 | S | 31.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -162.1 | 154 | -9.5 | 51.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 350 | Q | 32.1 | Very low | 30 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | -174.7 | 174.2 | 65.2 | -75.8 | -171.1 | 27.4 | 0 | 0 | 109.1 | |||||
| 351 | A | 26.4 | Very low | 29.3 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 65% | 0.645 | 76% | 0.763 | S | S | * | * | cis | -176.2 | 156.9 | -33.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 352 | L | 27.4 | Very low | 30.8 | Very low | 173 Ų | 173 | 123.3 Ų | 123.3 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | trans | 66.4 | 141.5 | 165.7 | -63.5 | 172.6 | 0 | 0 | 0 | 117.9 | ||||
| 353 | S | 28 | Very low | 32.4 | Very low | 93 Ų | 93 | 118.8 Ų | 118.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -154.5 | 159.6 | -1.8 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 354 | Q | 28.7 | Very low | 34.7 | Very low | 197 Ų | 197 | 117 Ų | 117 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | trans | 65 | 134.8 | 167.8 | -64.9 | 179.6 | -0.7 | 0 | 0 | 117.1 | ||||
| 355 | G | 26.7 | Very low | 37.4 | Very low | 84 Ų | 84 | 110 Ų | 110 | 87% | 0.866 | 68% | 0.681 | S | S | * | * | trans | -107.9 | 161.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 356 | S | 27.3 | Very low | 40.2 | Very low | 108 Ų | 108 | 108 Ų | 108 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | trans | -130.9 | 140.5 | 163.9 | 58.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 357 | E | 26.5 | Very low | 43.2 | Very low | 159 Ų | 159 | 101.2 Ų | 101.2 | 74% | 0.743 | 61% | 0.614 | S | S | * | * | trans | -50.1 | 160.3 | 168.7 | -69 | -67.3 | 96.3 | 0 | 0 | 112.1 | S359 | E357-S359 PolarHBondContact O-N 3.04Š| ||
| 358 | P | 36.6 | Very low | 46.1 | Very low | 127 Ų | 127 | 94.6 Ų | 94.6 | 83% | 0.825 | 58% | 0.58 | S | S | * | * | trans | -68.4 | 81.1 | 170.3 | 29.9 | -34.9 | 0 | 0 | 0 | 110.9 | ||||
| 359 | S | 27.8 | Very low | 49 | Very low | 69 Ų | 69 | 90.6 Ų | 90.6 | 48% | 0.483 | 55% | 0.546 | S | S | . | . | trans | -49.9 | 140.2 | 177.8 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | E357 E361 | E357-S359 PolarHBondContact O-N 3.04Å; S359-E361 PolarHBondContact O-N 2.87Å | ||
| 360 | S | 35.6 | Very low | 51.7 | Low | 123 Ų | 123 | 90.5 Ų | 90.5 | 86% | 0.86 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -71.3 | 23.1 | -179.1 | 47.9 | 0 | 0 | 0 | 0 | 115 | N362 | S360-N362 PolarHBondContact O-N 3.31Š|
| 361 | E | 41.6 | Very low | 54.3 | Low | 158 Ų | 158 | 85.8 Ų | 85.8 | 74% | 0.738 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | 4.8 | -169.2 | -69.2 | -177.8 | 110.4 | 0 | 0 | 114.8 | S359 | S359-E361 PolarHBondContact O-N 2.87Š|
| 362 | N | 55.4 | Low | 57.1 | Low | 66 Ų | 66 | 82.3 Ų | 82.3 | 35% | 0.353 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | 12 | -173.3 | -67.3 | 159.3 | 0 | 0 | 0 | 116.1 | S360 N364 F446 | S360-N362 PolarHBondContact O-N 3.31Å; N362-N364 PolarHBondContact O-N 2.84Å; N362-N364 PolarHBondContact O-ND2 2.74Å; N362-F446 VanDerWaalsContact O-CB 3.24Å; N362-F446 WeakPolarHBondContact O-CB 3.37Å; N362-F446 VanDerWaalsContact O-CD2 3.31Å; N362-F446 WeakPolarHBondContact O-CD2 3.36Å; N362-F446 WeakPolarHBondContact O-CG 3.28Å |
| 363 | A | 57.7 | Low | 59.8 | Low | 56 Ų | 56 | 75.6 Ų | 75.6 | 46% | 0.463 | 45% | 0.446 | S | S | . | . | trans | -67.2 | 99 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | I418 | A363-I418 HydrophobicContact CB-CG2 3.96Š| ||
| 364 | N | 77.6 | Confident | 62.3 | Low | 39 Ų | 39 | 73.3 Ų | 73.3 | 21% | 0.209 | 43% | 0.429 | C | S | . | . | trans | -116.8 | 156.2 | -178 | -72.6 | -95 | 0 | 0 | 0 | 110.9 | N362 T366 A421 F446 | N362-N364 PolarHBondContact O-N 2.84Å; N362-N364 PolarHBondContact O-ND2 2.74Å; N364-T366 PolarHBondContact O-N 2.99Å; N364-A421 WeakPolarHBondContact O-CB 3.44Å; N364-F446 HydrophobicContact CB-CD1 4.29Å; N364-F446 WeakPolarHBondContact O-CE1 3.13Å | ||
| 365 | D | 83 | Confident | 64.8 | Low | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -72.1 | -11.1 | 171.2 | 71.2 | -20.8 | 0 | 0 | 0 | 112.7 | Q414 L415 I418 | D365-Q414 PolarHBondContact OD2-NE2 3Å; D365-L415 PolarHBondContact O-N 3.29Å; D365-I418 HydrophobicContact CB-CG1 4.22Å |
| 366 | T | 88.1 | Confident | 67.5 | Low | 26 Ų | 26 | 66.8 Ų | 66.8 | 16% | 0.16 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.2 | -170.4 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | N364 F412 I413 A447 | N364-T366 PolarHBondContact O-N 2.99Å; T366-F412 HydrophobicContact CG2-CB 3.99Å; T366-F412 HydrophobicContact CG2-CD1 4.07Å; T366-F412 HydrophobicContact CG2-CG 4.48Å; T366-I413 CarbonylContact C-O 3.52Å; T366-I413 VanDerWaalsContact CA-O 3.3Å; T366-I413 WeakPolarHBondContact CA-O 3.33Å; T366-A447 HydrophobicContact CG2-CB 3.88Å; T366-A447 VanDerWaalsContact O-CB 3.28Å; T366-A447 WeakPolarHBondContact O-CB 3.21Å; T366-A447 PolarHBondContact O-N 3.46Å |
| 367 | I | 90.8 | Very high | 70.2 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 145.8 | 171.8 | -56.6 | 177.5 | 0 | 0 | 0 | 108.6 | L369 F412 I413 L415 A421 L424 L425 V444 E445 | I367-L369 HydrophobicContact CG2-CD2 4.48Å; I367-F412 CarbonylContact O-C 3.56Å; I367-F412 WeakPolarHBondContact O-CA 3.27Å; I367-I413 HydrophobicContact CB-CB 4.46Å; I367-I413 PolarHBondContact N-O 3.44Å; I367-I413 PolarHBondContact O-N 2.63Å; I367-L415 HydrophobicContact CD1-CD1 4.02Å; I367-A421 HydrophobicContact CD1-CB 4.45Å; I367-A421 WeakPolarHBondContact CD1-O 3.5Å; I367-A421 HydrophobicContact CG1-CB 4.18Å; I367-L424 HydrophobicContact CD1-CB 4.03Å; I367-L424 HydrophobicContact CD1-CD2 4.05Å; I367-L424 HydrophobicContact CD1-CG 4.14Å; I367-L425 HydrophobicContact CD1-CB 4.44Å; I367-V444 HydrophobicContact CG2-CG1 3.42Å; I367-V444 VanDerWaalsContact CG2-CG1 3.42Å; I367-E445 WeakPolarHBondContact CG2-O 3.24Å |
| 368 | I | 90.9 | Very high | 73 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.046 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125 | 165.1 | -171.6 | 176.3 | 0 | 0 | 0 | 110.4 | R370 F410 A411 F412 E445 A447 | I368-R370 HydrophobicContact CD1-CG 4.16Å; I368-R370 HydrophobicContact CG1-CG 4.12Å; I368-R370 HydrophobicContact CG2-CG 4.43Å; I368-F410 HydrophobicContact CD1-CB 4.24Å; I368-F410 HydrophobicContact CD1-CD2 4.24Å; I368-F410 HydrophobicContact CG1-CB 4.35Å; I368-A411 WeakPolarHBondContact CA-O 3.24Å; I368-F412 HydrophobicContact CB-CD1 4Å; I368-F412 HydrophobicContact CB-CE1 3.97Å; I368-F412 HydrophobicContact CD1-CD1 4.41Å; I368-F412 HydrophobicContact CD1-CE1 3.68Å; I368-F412 HydrophobicContact CD1-CZ 3.87Å; I368-F412 HydrophobicContact CG1-CD1 4.11Å; I368-F412 HydrophobicContact CG1-CE1 3.86Å; I368-F412 HydrophobicContact CG1-CZ 4.38Å; I368-E445 HydrophobicContact CG2-CB 3.95Å; I368-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 PolarHBondContact N-O 2.92Å; I368-E445 PolarHBondContact O-N 2.88Å; I368-E445 VanDerWaalsContact O-N 3.14Å; I368-A447 HydrophobicContact CB-CB 4.29Å |
| 369 | L | 89.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.3 | 162.7 | -55.6 | -169.1 | 0 | 0 | 0 | 108.5 | I367 L372 I381 L385 F410 A411 I413 I442 V444 | I367-L369 HydrophobicContact CG2-CD2 4.48Å; L369-L372 HydrophobicContact CB-CD1 4.09Å; L369-L372 HydrophobicContact CB-CG 4.46Å; L369-L372 HydrophobicContact CD1-CD1 4.5Å; L369-I381 HydrophobicContact CD1-CG2 3.85Å; L369-L385 HydrophobicContact CD1-CD1 4.31Å; L369-F410 CarbonylContact O-C 3.57Å; L369-F410 WeakPolarHBondContact O-CA 3.2Å; L369-F410 WeakPolarHBondContact O-CB 3.28Å; L369-A411 PolarHBondContact N-O 2.86Å; L369-A411 PolarHBondContact O-N 3.35Å; L369-I413 HydrophobicContact CD1-CD1 3.86Å; L369-I413 HydrophobicContact CD2-CD1 4.12Å; L369-I413 HydrophobicContact CG-CD1 3.89Å; L369-I413 HydrophobicContact CG-CG1 4.4Å; L369-I442 HydrophobicContact CB-CG2 3.89Å; L369-I442 HydrophobicContact CD1-CD1 4.32Å; L369-I442 HydrophobicContact CD2-CG2 4.03Å; L369-I442 HydrophobicContact CG-CG2 4.38Å; L369-V444 HydrophobicContact CD2-CG1 4.02Å; L369-V444 HydrophobicContact CD2-CG2 4.07Å |
| 370 | R | 88.6 | Confident | 78.1 | Confident | 101 Ų | 101 | 58.2 Ų | 58.2 | 38% | 0.381 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 156.5 | 174.6 | -52.4 | 175.1 | -178.5 | -87.5 | 9.4 | 110.3 | I368 G409 I442 N443 E445 | I368-R370 HydrophobicContact CD1-CG 4.16Å; I368-R370 HydrophobicContact CG1-CG 4.12Å; I368-R370 HydrophobicContact CG2-CG 4.43Å; R370-G409 CarbonylContact C-O 3.39Å; R370-I442 WeakPolarHBondContact O-CA 3.36Å; R370-I442 WeakPolarHBondContact O-CG2 3.35Å; R370-N443 HydrophobicContact CB-CB 4.25Å; R370-N443 PolarHBondContact N-O 2.88Å; R370-N443 PolarHBondContact O-N 3.49Å; R370-E445 IonicContact CZ-OE2 2.96Å; R370-E445 IonicContact NE-OE2 3.34Å; R370-E445 PolarHBondContact NE-OE2 3.37Å; R370-E445 IonicContact NH2-OE2 2.63Å; R370-E445 PolarHBondContact NH2-OE2 2.92Å |
| 371 | N | 86.6 | Confident | 80.5 | Confident | 81 Ų | 81 | 52.4 Ų | 52.4 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 72.1 | 27.4 | -177.4 | -159.3 | 43.7 | 0 | 0 | 0 | 115.2 | G409 T441 | N371-G409 PolarHBondContact N-O 2.67Å; N371-T441 PolarHBondContact ND2-O 2.78Å |
| 372 | L | 85.4 | Confident | 82.6 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | trans | -64.9 | 153.6 | 172 | -78.8 | 164.7 | 0 | 0 | 0 | 112.4 | L369 I381 G409 A411 I442 | L369-L372 HydrophobicContact CB-CD1 4.09Å; L369-L372 HydrophobicContact CB-CG 4.46Å; L369-L372 HydrophobicContact CD1-CD1 4.5Å; L372-I381 HydrophobicContact CD1-CD1 3.77Å; L372-I381 HydrophobicContact CD2-CD1 3.86Å; L372-I381 HydrophobicContact CD2-CG1 3.84Å; L372-I381 HydrophobicContact CG-CD1 4.49Å; L372-G409 PolarHBondContact N-O 3.15Å; L372-A411 HydrophobicContact CD1-CB 3.5Å; L372-A411 VanDerWaalsContact CD1-CB 3.5Å; L372-I442 HydrophobicContact CD2-CD1 3.46Å; L372-I442 VanDerWaalsContact CD2-CD1 3.46Å; L372-I442 HydrophobicContact CD2-CG1 4.34Å; L372-I442 HydrophobicContact CG-CD1 4.16Å | ||
| 373 | N | 82.6 | Confident | 83.9 | Confident | 32 Ų | 32 | 45.6 Ų | 45.6 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | trans | -75 | 138.6 | 177.1 | -144.7 | -11.7 | 0 | 0 | 0 | 109.9 | H375 S376 N407 D438 K440 | N373-H375 PolarHBondContact O-N 2.94Å; N373-S376 WeakPolarHBondContact CB-OG 3.06Å; N373-S376 PolarHBondContact N-OG 2.54Å; N373-S376 WeakPolarHBondContact O-CB 3.46Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact O-OG 3.41Å; N373-N407 PolarHBondContact O-ND2 2.9Å; N373-D438 HydrophobicContact CB-CB 4.16Å; N373-D438 PolarHBondContact ND2-O 2.82Å; N373-K440 HydrophobicContact CB-CD 3.97Å; N373-K440 WeakPolarHBondContact OD1-CE 3.48Å; N373-K440 PolarHBondContact OD1-NZ 2.78Å | ||
| 374 | P | 81.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 44.2 Ų | 44.2 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -20.7 | 176.2 | -30.4 | 38.4 | 0 | 0 | 0 | 114.7 | L406 N407 | P374-L406 HydrophobicContact CB-CB 4.12Å; P374-L406 HydrophobicContact CB-CD1 4.47Å; P374-L406 WeakPolarHBondContact O-CB 3.33Å; P374-N407 PolarHBondContact O-N 2.82Å; P374-N407 PolarHBondContact O-ND2 3Å |
| 375 | H | 80.4 | Confident | 85.4 | Confident | 142 Ų | 142 | 42.3 Ų | 42.3 | 66% | 0.657 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -3.2 | 176.9 | -57.3 | -72.4 | 0 | 0 | 0 | 115 | N373 T377 | N373-H375 PolarHBondContact O-N 2.94Å; H375-T377 PolarHBondContact O-N 3.27Å |
| 376 | S | 83.6 | Confident | 85.4 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -59.8 | 120.4 | -179.2 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | N373 N407 D438 | N373-S376 WeakPolarHBondContact CB-OG 3.06Å; N373-S376 PolarHBondContact N-OG 2.54Å; N373-S376 WeakPolarHBondContact O-CB 3.46Å; N373-S376 PolarHBondContact O-N 2.99Å; N373-S376 PolarHBondContact O-OG 3.41Å; S376-N407 PolarHBondContact N-ND2 3.17Å; S376-N407 VanDerWaalsContact N-ND2 3.17Å; S376-N407 PolarHBondContact O-ND2 2.66Å; S376-D438 WeakPolarHBondContact CA-OD2 3.13Å; S376-D438 WeakPolarHBondContact CB-OD2 3.2Å; S376-D438 PolarHBondContact OG-OD2 2.85Å | ||
| 377 | T | 85 | Confident | 85 | Confident | 74 Ų | 74 | 46.3 Ų | 46.3 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | trans | -73.7 | 162.6 | 172.7 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | H375 D379 S380 I381 | H375-T377 PolarHBondContact O-N 3.27Å; T377-D379 WeakPolarHBondContact CB-OD2 3.11Å; T377-D379 PolarHBondContact O-N 3.27Å; T377-D379 PolarHBondContact OG1-N 3.35Å; T377-D379 PolarHBondContact OG1-OD2 3.46Å; T377-S380 PolarHBondContact O-N 3.3Å; T377-S380 PolarHBondContact OG1-N 3.48Å; T377-S380 VanDerWaalsContact OG1-N 3.09Å; T377-I381 PolarHBondContact O-N 3.42Å | ||
| 378 | M | 84.8 | Confident | 84.5 | Confident | 65 Ų | 65 | 50.5 Ų | 50.5 | 32% | 0.32 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -56.9 | -34.9 | 168.5 | 178.4 | 177.1 | -72.8 | 0 | 0 | 110.5 | I381 L382 V396 V398 | M378-I381 WeakPolarHBondContact O-CB 3.35Å; M378-I381 PolarHBondContact O-N 2.85Å; M378-L382 HydrophobicContact CG-CD1 3.92Å; M378-L382 HydrophobicContact CG-CG 4.31Å; M378-L382 WeakPolarHBondContact O-CG 3.16Å; M378-L382 PolarHBondContact O-N 3.26Å; M378-L382 HydrophobicContact SD-CD1 4.49Å; M378-V396 VanDerWaalsContact CE-O 3.23Å; M378-V396 WeakPolarHBondContact CE-O 3.42Å; M378-V398 HydrophobicContact CB-CG2 4.36Å; M378-V398 HydrophobicContact CE-CG2 4.47Å |
| 379 | D | 85.6 | Confident | 84 | Confident | 114 Ų | 114 | 51 Ų | 51 | 61% | 0.61 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.8 | -35.2 | -177.9 | -36.9 | -84.2 | 0 | 0 | 0 | 112.2 | T377 I381 L382 G383 | T377-D379 WeakPolarHBondContact CB-OD2 3.11Å; T377-D379 PolarHBondContact O-N 3.27Å; T377-D379 PolarHBondContact OG1-N 3.35Å; T377-D379 PolarHBondContact OG1-OD2 3.46Å; D379-I381 VanDerWaalsContact C-N 3.34Å; D379-L382 PolarHBondContact O-N 3.31Å; D379-G383 PolarHBondContact O-N 3.22Å |
| 380 | S | 86.6 | Confident | 83.4 | Confident | 30 Ų | 30 | 57.9 Ų | 57.9 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -38.3 | 171.2 | -167.8 | 0 | 0 | 0 | 0 | 111.3 | T377 A384 I437 D438 | T377-S380 PolarHBondContact O-N 3.3Å; T377-S380 PolarHBondContact OG1-N 3.48Å; T377-S380 VanDerWaalsContact OG1-N 3.09Å; S380-A384 WeakPolarHBondContact O-CB 3.43Å; S380-A384 PolarHBondContact O-N 3Å; S380-I437 VanDerWaalsContact OG-CG2 3.25Å; S380-I437 WeakPolarHBondContact OG-CG2 3.47Å; S380-D438 PolarHBondContact OG-OD1 2.69Å; S380-D438 PolarHBondContact OG-OD2 2.92Å |
| 381 | I | 85.8 | Confident | 83 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 175.4 | -62.1 | 166.9 | 0 | 0 | 0 | 111.6 | L369 L372 T377 M378 D379 L385 V396 V398 A411 I437 | L369-I381 HydrophobicContact CD1-CG2 3.85Å; L372-I381 HydrophobicContact CD1-CD1 3.77Å; L372-I381 HydrophobicContact CD2-CD1 3.86Å; L372-I381 HydrophobicContact CD2-CG1 3.84Å; L372-I381 HydrophobicContact CG-CD1 4.49Å; T377-I381 PolarHBondContact O-N 3.42Å; M378-I381 WeakPolarHBondContact O-CB 3.35Å; M378-I381 PolarHBondContact O-N 2.85Å; D379-I381 VanDerWaalsContact C-N 3.34Å; I381-L385 HydrophobicContact CG2-CD1 4.1Å; I381-L385 WeakPolarHBondContact O-CB 3.48Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.88Å; I381-V396 HydrophobicContact CG2-CG1 3.99Å; I381-V398 HydrophobicContact CD1-CG1 4.39Å; I381-V398 HydrophobicContact CD1-CG2 3.66Å; I381-A411 HydrophobicContact CD1-CB 4.36Å; I381-I437 HydrophobicContact CG1-CD1 4.39Å |
| 382 | L | 85.3 | Confident | 82.6 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -44.1 | 175.7 | -71.1 | 170.8 | 0 | 0 | 0 | 111.5 | M378 D379 A384 L385 A386 L391 V396 | M378-L382 HydrophobicContact CG-CD1 3.92Å; M378-L382 HydrophobicContact CG-CG 4.31Å; M378-L382 WeakPolarHBondContact O-CG 3.16Å; M378-L382 PolarHBondContact O-N 3.26Å; M378-L382 HydrophobicContact SD-CD1 4.49Å; D379-L382 PolarHBondContact O-N 3.31Å; L382-A384 PolarHBondContact O-N 3.34Å; L382-L385 PolarHBondContact O-N 3.43Å; L382-A386 WeakPolarHBondContact O-CB 3.24Å; L382-A386 PolarHBondContact O-N 3.01Å; L382-L391 HydrophobicContact CD2-CB 3.74Å; L382-V396 HydrophobicContact CD2-CG2 3.66Å; L382-V396 HydrophobicContact CG-CG2 4.46Å |
| 383 | G | 83 | Confident | 82 | Confident | 49 Ų | 49 | 57.1 Ų | 57.1 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D379 L385 | D379-G383 PolarHBondContact O-N 3.22Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.04Å |
| 384 | A | 83.3 | Confident | 81.9 | Confident | 26 Ų | 26 | 59.7 Ų | 59.7 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.4 | -20.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | S380 L382 I437 | S380-A384 WeakPolarHBondContact O-CB 3.43Å; S380-A384 PolarHBondContact O-N 3Å; L382-A384 PolarHBondContact O-N 3.34Å; A384-I437 HydrophobicContact CB-CD1 3.51Å; A384-I437 HydrophobicContact CB-CG1 3.61Å |
| 385 | L | 83.4 | Confident | 82 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -101.9 | -18.4 | -179.5 | -66.6 | 179.2 | 0 | 0 | 0 | 114.1 | L369 I381 L382 G383 P387 Y388 A389 L391 I413 L428 L435 | L369-L385 HydrophobicContact CD1-CD1 4.31Å; I381-L385 HydrophobicContact CG2-CD1 4.1Å; I381-L385 WeakPolarHBondContact O-CB 3.48Å; I381-L385 VanDerWaalsContact O-CG 3.31Å; I381-L385 WeakPolarHBondContact O-CG 3.41Å; I381-L385 PolarHBondContact O-N 2.88Å; L382-L385 PolarHBondContact O-N 3.43Å; G383-L385 VanDerWaalsContact C-N 3.3Å; G383-L385 PolarHBondContact O-N 3.04Å; L385-P387 VanDerWaalsContact C-N 3.33Å; L385-Y388 WeakPolarHBondContact O-CA 3.42Å; L385-Y388 PolarHBondContact O-N 3.26Å; L385-A389 PolarHBondContact O-N 3.47Å; L385-L391 HydrophobicContact CB-CD1 3.86Å; L385-L391 HydrophobicContact CD1-CD1 3.69Å; L385-L391 HydrophobicContact CG-CD1 4.44Å; L385-I413 HydrophobicContact CD1-CD1 3.28Å; L385-L428 HydrophobicContact CD2-CD1 3.67Å; L385-L428 HydrophobicContact CD2-CD2 3.87Å; L385-L428 HydrophobicContact CD2-CG 4.41Å; L385-L435 HydrophobicContact CD2-CD2 3.86Å |
| 386 | A | 81.8 | Confident | 82.4 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.2 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | L382 Y388 | L382-A386 WeakPolarHBondContact O-CB 3.24Å; L382-A386 PolarHBondContact O-N 3.01Å; A386-Y388 PolarHBondContact O-N 3.41Å |
| 387 | P | 80.3 | Confident | 82.6 | Confident | 98 Ų | 98 | 60.5 Ų | 60.5 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.8 | 176.2 | 29.3 | -35.7 | 0 | 0 | 0 | 114.4 | L385 | L385-P387 VanDerWaalsContact C-N 3.33Š|
| 388 | Y | 80.8 | Confident | 82.7 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 35% | 0.349 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.9 | -28.4 | -176.3 | -53.1 | -60.3 | 0 | 0 | 0 | 113.5 | L385 A386 I427 L428 L431 L435 | L385-Y388 WeakPolarHBondContact O-CA 3.42Å; L385-Y388 PolarHBondContact O-N 3.26Å; A386-Y388 PolarHBondContact O-N 3.41Å; Y388-I427 HydrophobicContact CD1-CG2 3.65Å; Y388-I427 HydrophobicContact CE1-CG2 4.31Å; Y388-I427 HydrophobicContact CG-CG2 4.15Å; Y388-L428 HydrophobicContact CD2-CD2 3.64Å; Y388-L428 HydrophobicContact CE2-CD2 4.15Å; Y388-L428 HydrophobicContact CG-CD2 4.05Å; Y388-L431 HydrophobicContact CD2-CD1 4.5Å; Y388-L431 HydrophobicContact CE1-CD1 4.2Å; Y388-L431 HydrophobicContact CE1-CD2 3.8Å; Y388-L431 HydrophobicContact CE2-CD1 3.76Å; Y388-L435 HydrophobicContact CE2-CD1 4.23Å |
| 389 | A | 79.9 | Confident | 82.9 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | trans | -153.2 | 142.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L385 L391 L424 | L385-A389 PolarHBondContact O-N 3.47Å; A389-L391 HydrophobicContact CB-CD2 4.23Å; A389-L391 HydrophobicContact CB-CG 4.02Å; A389-L391 PolarHBondContact O-N 3.02Å; A389-L424 HydrophobicContact CB-CD1 3.95Å; A389-L424 HydrophobicContact CB-CD2 3.83Å; A389-L424 HydrophobicContact CB-CG 4.43Å | ||
| 390 | V | 77.8 | Confident | 83 | Confident | 145 Ų | 145 | 58 Ų | 58 | 88% | 0.879 | 34% | 0.344 | S | S | * | . | trans | -77.6 | 90.1 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 391 | L | 79.3 | Confident | 82.9 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 13% | 0.131 | 34% | 0.343 | C | S | . | . | trans | -100.8 | 130.1 | -179.7 | -64.4 | 178.7 | 0 | 0 | 0 | 111.7 | L382 L385 A389 N395 V396 I413 L415 | L382-L391 HydrophobicContact CD2-CB 3.74Å; L385-L391 HydrophobicContact CB-CD1 3.86Å; L385-L391 HydrophobicContact CD1-CD1 3.69Å; L385-L391 HydrophobicContact CG-CD1 4.44Å; A389-L391 HydrophobicContact CB-CD2 4.23Å; A389-L391 HydrophobicContact CB-CG 4.02Å; A389-L391 PolarHBondContact O-N 3.02Å; L391-N395 HydrophobicContact CD2-CB 4.42Å; L391-V396 HydrophobicContact CD1-CG2 4.32Å; L391-I413 HydrophobicContact CD1-CD1 4.21Å; L391-I413 HydrophobicContact CD1-CG2 3.94Å; L391-I413 HydrophobicContact CD2-CG2 3.87Å; L391-L415 HydrophobicContact CD2-CD2 3.64Å; L391-L415 HydrophobicContact CD2-CG 4.43Å | ||
| 392 | S | 77.7 | Confident | 82.8 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | trans | -88.1 | 156.7 | 167 | -64.5 | 0 | 0 | 0 | 0 | 111 | S394 N395 | S392-S394 VanDerWaalsContact CB-OG 3.3Å; S392-S394 WeakPolarHBondContact CB-OG 3.39Å; S392-S394 PolarHBondContact O-N 3.34Å; S392-S394 VanDerWaalsContact O-N 3.15Å; S392-N395 VanDerWaalsContact O-CB 3.29Å; S392-N395 WeakPolarHBondContact O-CB 3.42Å; S392-N395 PolarHBondContact O-N 2.86Å | ||
| 393 | S | 74.3 | Confident | 82.7 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -57.9 | -26.7 | 174.9 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | N395 V396 | S393-N395 PolarHBondContact O-N 3.42Å; S393-V396 PolarHBondContact O-N 3.34Å |
| 394 | S | 80.2 | Confident | 82.7 | Confident | 86 Ų | 86 | 76 Ų | 76 | 60% | 0.601 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.3 | 170.4 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | S392 | S392-S394 VanDerWaalsContact CB-OG 3.3Å; S392-S394 WeakPolarHBondContact CB-OG 3.39Å; S392-S394 PolarHBondContact O-N 3.34Å; S392-S394 VanDerWaalsContact O-N 3.15Å |
| 395 | N | 84.4 | Confident | 82.4 | Confident | 40 Ų | 40 | 80.4 Ų | 80.4 | 21% | 0.214 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -88.4 | -22.3 | -170.1 | -59.1 | 9.9 | 0 | 0 | 0 | 111.4 | L391 S392 S393 I413 Q414 | L391-N395 HydrophobicContact CD2-CB 4.42Å; S392-N395 VanDerWaalsContact O-CB 3.29Å; S392-N395 WeakPolarHBondContact O-CB 3.42Å; S392-N395 PolarHBondContact O-N 2.86Å; S393-N395 PolarHBondContact O-N 3.42Å; N395-I413 CarbonylContact O-C 3.48Å; N395-I413 WeakPolarHBondContact O-CA 3.17Å; N395-Q414 WeakPolarHBondContact CB-O 3.37Å; N395-Q414 PolarHBondContact O-N 2.89Å |
| 396 | V | 87.7 | Confident | 82.3 | Confident | 3 Ų | 3 | 83.6 Ų | 83.6 | 2% | 0.018 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 117 | -174.2 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | M378 I381 L382 L391 S393 V398 I413 | M378-V396 VanDerWaalsContact CE-O 3.23Å; M378-V396 WeakPolarHBondContact CE-O 3.42Å; I381-V396 HydrophobicContact CG2-CG1 3.99Å; L382-V396 HydrophobicContact CD2-CG2 3.66Å; L382-V396 HydrophobicContact CG-CG2 4.46Å; L391-V396 HydrophobicContact CD1-CG2 4.32Å; S393-V396 PolarHBondContact O-N 3.34Å; V396-V398 HydrophobicContact CG1-CG2 4.06Å; V396-I413 HydrophobicContact CG2-CG1 4.3Å |
| 397 | R | 87.4 | Confident | 82.5 | Confident | 163 Ų | 163 | 81 Ų | 81 | 62% | 0.615 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 92 | 176.4 | -63.7 | -175.2 | -178.7 | -143.1 | 1.2 | 110.3 | I399 A411 F412 | R397-I399 PolarHBondContact O-N 3.47Å; R397-A411 WeakPolarHBondContact O-CA 3.24Å; R397-F412 HydrophobicContact CB-CB 4.43Å; R397-F412 PolarHBondContact N-O 3.22Å; R397-F412 PolarHBondContact O-N 3.33Å |
| 398 | V | 88.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 16% | 0.158 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.9 | 174.1 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | M378 I381 V396 K400 N407 A411 | M378-V398 HydrophobicContact CB-CG2 4.36Å; M378-V398 HydrophobicContact CE-CG2 4.47Å; I381-V398 HydrophobicContact CD1-CG1 4.39Å; I381-V398 HydrophobicContact CD1-CG2 3.66Å; V396-V398 HydrophobicContact CG1-CG2 4.06Å; V398-K400 PolarHBondContact O-N 3.08Å; V398-N407 HydrophobicContact CG1-CB 4.18Å; V398-N407 VanDerWaalsContact CG1-OD1 3.24Å; V398-N407 WeakPolarHBondContact CG1-OD1 3.25Å; V398-A411 HydrophobicContact CB-CB 4.38Å; V398-A411 HydrophobicContact CG1-CB 4.47Å; V398-A411 HydrophobicContact CG2-CB 4.23Å |
| 399 | I | 88.8 | Confident | 82.6 | Confident | 57 Ų | 57 | 80.4 Ų | 80.4 | 29% | 0.292 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 109 | 179.6 | -57.8 | -55.4 | 0 | 0 | 0 | 109.1 | R397 R408 F410 F412 | R397-I399 PolarHBondContact O-N 3.47Å; I399-R408 HydrophobicContact CG2-CB 4.21Å; I399-R408 WeakPolarHBondContact O-CB 3.27Å; I399-R408 PolarHBondContact O-N 2.91Å; I399-F410 HydrophobicContact CB-CD2 4Å; I399-F410 HydrophobicContact CB-CE2 3.75Å; I399-F410 HydrophobicContact CB-CZ 4.23Å; I399-F410 HydrophobicContact CG1-CD2 3.84Å; I399-F410 HydrophobicContact CG1-CE2 3.63Å; I399-F410 HydrophobicContact CG2-CE2 3.83Å; I399-F410 HydrophobicContact CG2-CZ 3.9Å; I399-F410 PolarHBondContact N-O 2.71Å; I399-F410 VanDerWaalsContact N-O 3.14Å; I399-F412 HydrophobicContact CD1-CD2 4.12Å; I399-F412 HydrophobicContact CD1-CE2 4.23Å; I399-F412 HydrophobicContact CG1-CD2 3.89Å; I399-F412 HydrophobicContact CG1-CE2 3.81Å |
| 400 | K | 86.2 | Confident | 83 | Confident | 119 Ų | 119 | 82.2 Ų | 82.2 | 52% | 0.517 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 146.6 | 174.2 | -67.9 | 178.4 | 171.4 | -166.5 | 0 | 110.9 | V398 Q405 L406 | V398-K400 PolarHBondContact O-N 3.08Å; K400-Q405 WeakPolarHBondContact CD-O 3.36Å; K400-L406 CarbonylContact C-O 3.55Å; K400-L406 WeakPolarHBondContact CA-O 3.4Å |
| 401 | D | 85.3 | Confident | 83.6 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 19% | 0.187 | 38% | 0.378 | C | S | . | . | trans | -72.5 | 141 | 169.3 | 170.4 | 58.9 | 0 | 0 | 0 | 110.8 | Q403 T404 Q405 L406 R408 | D401-Q403 PolarHBondContact O-N 3.45Å; D401-Q403 PolarHBondContact OD2-N 2.89Å; D401-Q403 VanDerWaalsContact OD2-N 3.1Å; D401-T404 WeakPolarHBondContact CB-OG1 3.29Å; D401-T404 PolarHBondContact OD2-N 2.92Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; D401-Q405 VanDerWaalsContact O-CA 3.27Å; D401-Q405 WeakPolarHBondContact O-CA 3.3Å; D401-Q405 PolarHBondContact O-N 3.15Å; D401-L406 PolarHBondContact N-O 3.35Å; D401-R408 IonicContact OD1-NH1 2.7Å | ||
| 402 | K | 82.9 | Confident | 84.2 | Confident | 187 Ų | 187 | 77.1 Ų | 77.1 | 81% | 0.813 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -31.7 | -173.6 | -173.7 | 176.5 | 178.2 | -178.1 | 0 | 112.6 | Q405 | K402-Q405 PolarHBondContact O-NE2 2.9Š|
| 403 | Q | 83.7 | Confident | 84.8 | Confident | 183 Ų | 183 | 73.9 Ų | 73.9 | 86% | 0.855 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -42.6 | -175.5 | -61.7 | -176 | -0 | 0 | 0 | 111.7 | D401 | D401-Q403 PolarHBondContact O-N 3.45Å; D401-Q403 PolarHBondContact OD2-N 2.89Å; D401-Q403 VanDerWaalsContact OD2-N 3.1Å |
| 404 | T | 83.1 | Confident | 85.5 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 52% | 0.521 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -16.8 | -174.7 | 56.1 | 0 | 0 | 0 | 0 | 114.6 | D401 L406 | D401-T404 WeakPolarHBondContact CB-OG1 3.29Å; D401-T404 PolarHBondContact OD2-N 2.92Å; D401-T404 PolarHBondContact OD2-OG1 2.98Å; T404-L406 PolarHBondContact O-N 3.24Å |
| 405 | Q | 77.7 | Confident | 85.9 | Confident | 117 Ų | 117 | 71.2 Ų | 71.2 | 55% | 0.547 | 33% | 0.332 | S | S | . | . | trans | 57.9 | 4.4 | -171 | -61.4 | -62.7 | -42.9 | 0 | 0 | 115.5 | K400 D401 K402 | K400-Q405 WeakPolarHBondContact CD-O 3.36Å; D401-Q405 VanDerWaalsContact O-CA 3.27Å; D401-Q405 WeakPolarHBondContact O-CA 3.3Å; D401-Q405 PolarHBondContact O-N 3.15Å; K402-Q405 PolarHBondContact O-NE2 2.9Å | ||
| 406 | L | 80.4 | Confident | 85.9 | Confident | 67 Ų | 67 | 73.2 Ų | 73.2 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -78.8 | 160.6 | 170.9 | -63.1 | 176.1 | 0 | 0 | 0 | 110.3 | P374 K400 D401 T404 | P374-L406 HydrophobicContact CB-CB 4.12Å; P374-L406 HydrophobicContact CB-CD1 4.47Å; P374-L406 WeakPolarHBondContact O-CB 3.33Å; K400-L406 CarbonylContact C-O 3.55Å; K400-L406 WeakPolarHBondContact CA-O 3.4Å; D401-L406 PolarHBondContact N-O 3.35Å; T404-L406 PolarHBondContact O-N 3.24Å |
| 407 | N | 86.8 | Confident | 85.7 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.059 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 136.4 | -178.9 | -47.4 | -47.4 | 0 | 0 | 0 | 111.3 | N373 P374 S376 V398 G409 | N373-N407 PolarHBondContact O-ND2 2.9Å; P374-N407 PolarHBondContact O-N 2.82Å; P374-N407 PolarHBondContact O-ND2 3Å; S376-N407 PolarHBondContact N-ND2 3.17Å; S376-N407 VanDerWaalsContact N-ND2 3.17Å; S376-N407 PolarHBondContact O-ND2 2.66Å; V398-N407 HydrophobicContact CG1-CB 4.18Å; V398-N407 VanDerWaalsContact CG1-OD1 3.24Å; V398-N407 WeakPolarHBondContact CG1-OD1 3.25Å; N407-G409 PolarHBondContact O-N 3Å |
| 408 | R | 81.4 | Confident | 85.7 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 17.8 | 178.4 | -155.6 | 179.1 | 168.9 | 90.2 | 1.2 | 113.2 | I399 D401 F410 | I399-R408 HydrophobicContact CG2-CB 4.21Å; I399-R408 WeakPolarHBondContact O-CB 3.27Å; I399-R408 PolarHBondContact O-N 2.91Å; D401-R408 IonicContact OD1-NH1 2.7Å; R408-F410 HydrophobicContact CB-CD1 4.34Å; R408-F410 HydrophobicContact CB-CE1 3.9Å; R408-F410 HydrophobicContact CB-CZ 4.45Å; R408-F410 HydrophobicContact CG-CE1 3.76Å; R408-F410 HydrophobicContact CG-CZ 4.36Å; R408-F410 WeakPolarHBondContact O-CD1 3.29Å; R408-F410 WeakPolarHBondContact O-CE1 3.38Å |
| 409 | G | 80.9 | Confident | 85.6 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.2 | 6.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116 | R370 N371 L372 N407 | R370-G409 CarbonylContact C-O 3.39Å; N371-G409 PolarHBondContact N-O 2.67Å; L372-G409 PolarHBondContact N-O 3.15Å; N407-G409 PolarHBondContact O-N 3Å |
| 410 | F | 88.8 | Confident | 85.5 | Confident | 58 Ų | 58 | 71 Ų | 71 | 25% | 0.254 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 153.7 | 177.1 | 58.6 | -84.4 | 0 | 0 | 0 | 114.3 | I368 L369 I399 R408 F412 | I368-F410 HydrophobicContact CD1-CB 4.24Å; I368-F410 HydrophobicContact CD1-CD2 4.24Å; I368-F410 HydrophobicContact CG1-CB 4.35Å; L369-F410 CarbonylContact O-C 3.57Å; L369-F410 WeakPolarHBondContact O-CA 3.2Å; L369-F410 WeakPolarHBondContact O-CB 3.28Å; I399-F410 HydrophobicContact CB-CD2 4Å; I399-F410 HydrophobicContact CB-CE2 3.75Å; I399-F410 HydrophobicContact CB-CZ 4.23Å; I399-F410 HydrophobicContact CG1-CD2 3.84Å; I399-F410 HydrophobicContact CG1-CE2 3.63Å; I399-F410 HydrophobicContact CG2-CE2 3.83Å; I399-F410 HydrophobicContact CG2-CZ 3.9Å; I399-F410 PolarHBondContact N-O 2.71Å; I399-F410 VanDerWaalsContact N-O 3.14Å; R408-F410 HydrophobicContact CB-CD1 4.34Å; R408-F410 HydrophobicContact CB-CE1 3.9Å; R408-F410 HydrophobicContact CB-CZ 4.45Å; R408-F410 HydrophobicContact CG-CE1 3.76Å; R408-F410 HydrophobicContact CG-CZ 4.36Å; R408-F410 WeakPolarHBondContact O-CD1 3.29Å; R408-F410 WeakPolarHBondContact O-CE1 3.38Å; F410-F412 AromaticContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CZ 4.25Å; F410-F412 AromaticContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CZ 4.34Å |
| 411 | A | 89.6 | Confident | 85.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | I368 L369 L372 I381 R397 V398 | I368-A411 WeakPolarHBondContact CA-O 3.24Å; L369-A411 PolarHBondContact N-O 2.86Å; L369-A411 PolarHBondContact O-N 3.35Å; L372-A411 HydrophobicContact CD1-CB 3.5Å; L372-A411 VanDerWaalsContact CD1-CB 3.5Å; I381-A411 HydrophobicContact CD1-CB 4.36Å; R397-A411 WeakPolarHBondContact O-CA 3.24Å; V398-A411 HydrophobicContact CB-CB 4.38Å; V398-A411 HydrophobicContact CG1-CB 4.47Å; V398-A411 HydrophobicContact CG2-CB 4.23Å |
| 412 | F | 91.5 | Very high | 85.6 | Confident | 63 Ų | 63 | 65.7 Ų | 65.7 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141 | 173.1 | -63.2 | -82.5 | 0 | 0 | 0 | 110.1 | T366 I367 I368 R397 I399 F410 A447 | T366-F412 HydrophobicContact CG2-CB 3.99Å; T366-F412 HydrophobicContact CG2-CD1 4.07Å; T366-F412 HydrophobicContact CG2-CG 4.48Å; I367-F412 CarbonylContact O-C 3.56Å; I367-F412 WeakPolarHBondContact O-CA 3.27Å; I368-F412 HydrophobicContact CB-CD1 4Å; I368-F412 HydrophobicContact CB-CE1 3.97Å; I368-F412 HydrophobicContact CD1-CD1 4.41Å; I368-F412 HydrophobicContact CD1-CE1 3.68Å; I368-F412 HydrophobicContact CD1-CZ 3.87Å; I368-F412 HydrophobicContact CG1-CD1 4.11Å; I368-F412 HydrophobicContact CG1-CE1 3.86Å; I368-F412 HydrophobicContact CG1-CZ 4.38Å; R397-F412 HydrophobicContact CB-CB 4.43Å; R397-F412 PolarHBondContact N-O 3.22Å; R397-F412 PolarHBondContact O-N 3.33Å; I399-F412 HydrophobicContact CD1-CD2 4.12Å; I399-F412 HydrophobicContact CD1-CE2 4.23Å; I399-F412 HydrophobicContact CG1-CD2 3.89Å; I399-F412 HydrophobicContact CG1-CE2 3.81Å; F410-F412 AromaticContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CE2 3.93Å; F410-F412 HydrophobicContact CD2-CZ 4.25Å; F410-F412 AromaticContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CE2 3.97Å; F410-F412 HydrophobicContact CE2-CZ 4.34Å; F412-A447 HydrophobicContact CD1-CB 3.92Å; F412-A447 HydrophobicContact CE1-CB 3.96Å |
| 413 | I | 91.1 | Very high | 85.9 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 110 | 175.6 | -56 | -177.6 | 0 | 0 | 0 | 107.6 | T366 I367 L369 L385 L391 N395 V396 L415 | T366-I413 CarbonylContact C-O 3.52Å; T366-I413 VanDerWaalsContact CA-O 3.3Å; T366-I413 WeakPolarHBondContact CA-O 3.33Å; I367-I413 HydrophobicContact CB-CB 4.46Å; I367-I413 PolarHBondContact N-O 3.44Å; I367-I413 PolarHBondContact O-N 2.63Å; L369-I413 HydrophobicContact CD1-CD1 3.86Å; L369-I413 HydrophobicContact CD2-CD1 4.12Å; L369-I413 HydrophobicContact CG-CD1 3.89Å; L369-I413 HydrophobicContact CG-CG1 4.4Å; L385-I413 HydrophobicContact CD1-CD1 3.28Å; L391-I413 HydrophobicContact CD1-CD1 4.21Å; L391-I413 HydrophobicContact CD1-CG2 3.94Å; L391-I413 HydrophobicContact CD2-CG2 3.87Å; N395-I413 CarbonylContact O-C 3.48Å; N395-I413 WeakPolarHBondContact O-CA 3.17Å; V396-I413 HydrophobicContact CG2-CG1 4.3Å; I413-L415 HydrophobicContact CG2-CG 4.45Å |
| 414 | Q | 90.2 | Very high | 86.1 | Confident | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.2 | 175.7 | -172.5 | 171.8 | 22 | 0 | 0 | 109.5 | D365 N395 | D365-Q414 PolarHBondContact OD2-NE2 3Å; N395-Q414 WeakPolarHBondContact CB-O 3.37Å; N395-Q414 PolarHBondContact O-N 2.89Å |
| 415 | L | 87.4 | Confident | 86.3 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | trans | -103.7 | 167.7 | 178.7 | -79 | 157.6 | 0 | 0 | 0 | 111.2 | D365 I367 L391 I413 T417 E420 A421 L424 | D365-L415 PolarHBondContact O-N 3.29Å; I367-L415 HydrophobicContact CD1-CD1 4.02Å; L391-L415 HydrophobicContact CD2-CD2 3.64Å; L391-L415 HydrophobicContact CD2-CG 4.43Å; I413-L415 HydrophobicContact CG2-CG 4.45Å; L415-T417 VanDerWaalsContact C-N 3.35Å; L415-E420 HydrophobicContact CB-CB 4.15Å; L415-E420 HydrophobicContact CD1-CB 4.32Å; L415-E420 HydrophobicContact CD2-CB 4.27Å; L415-E420 HydrophobicContact CG-CB 4.48Å; L415-A421 HydrophobicContact CB-CB 4.43Å; L415-A421 HydrophobicContact CD1-CB 4.02Å; L415-L424 HydrophobicContact CD1-CB 4.33Å; L415-L424 HydrophobicContact CD1-CD2 3.99Å | ||
| 416 | S | 84.1 | Confident | 86.8 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 57% | 0.566 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -76.7 | -27.2 | -175 | 86.9 | 0 | 0 | 0 | 0 | 112.3 | E420 | S416-E420 WeakPolarHBondContact CA-OE2 3.44Å; S416-E420 WeakPolarHBondContact CB-OE2 3.25Å; S416-E420 PolarHBondContact N-OE2 3.4Å; S416-E420 VanDerWaalsContact OG-CD 3.27Å; S416-E420 PolarHBondContact OG-OE1 3.08Å; S416-E420 PolarHBondContact OG-OE2 2.82Å |
| 417 | T | 84.8 | Confident | 87 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 20% | 0.202 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -134.6 | 157.6 | 175.7 | 70.4 | 0 | 0 | 0 | 0 | 112.8 | L415 V419 E420 A421 A465 | L415-T417 VanDerWaalsContact C-N 3.35Å; T417-V419 PolarHBondContact O-N 2.85Å; T417-E420 PolarHBondContact N-OE2 3.4Å; T417-E420 PolarHBondContact O-N 2.55Å; T417-E420 VanDerWaalsContact OG1-CG 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.42Å; T417-E420 PolarHBondContact OG1-N 3.02Å; T417-E420 VanDerWaalsContact OG1-N 3.08Å; T417-E420 PolarHBondContact OG1-OE2 3.27Å; T417-A421 PolarHBondContact O-N 2.86Å; T417-A465 HydrophobicContact CG2-CB 4.21Å |
| 418 | I | 86.1 | Confident | 86.9 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.6 | -27 | 172.7 | -59.5 | -178 | 0 | 0 | 0 | 110.9 | A363 D365 A421 A422 S466 | A363-I418 HydrophobicContact CB-CG2 3.96Å; D365-I418 HydrophobicContact CB-CG1 4.22Å; I418-A421 PolarHBondContact O-N 2.83Å; I418-A422 WeakPolarHBondContact O-CB 3.35Å; I418-A422 PolarHBondContact O-N 2.86Å; I418-S466 VanDerWaalsContact CD1-OG 3.29Å; I418-S466 WeakPolarHBondContact CD1-OG 3.32Å |
| 419 | V | 86.8 | Confident | 87.1 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 47% | 0.473 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -45.2 | 176.2 | -174.9 | 0 | 0 | 0 | 0 | 111 | T417 A421 A422 Q423 | T417-V419 PolarHBondContact O-N 2.85Å; V419-A421 VanDerWaalsContact C-N 3.29Å; V419-A421 PolarHBondContact O-N 3.12Å; V419-A422 PolarHBondContact O-N 3.19Å; V419-Q423 VanDerWaalsContact O-CB 3.28Å; V419-Q423 WeakPolarHBondContact O-CB 2.92Å; V419-Q423 PolarHBondContact O-N 2.81Å |
| 420 | E | 87.1 | Confident | 87.2 | Confident | 76 Ų | 76 | 50.2 Ų | 50.2 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 171.9 | -71.9 | 162.9 | 165.3 | 0 | 0 | 111.3 | L415 S416 T417 Q423 L424 | L415-E420 HydrophobicContact CB-CB 4.15Å; L415-E420 HydrophobicContact CD1-CB 4.32Å; L415-E420 HydrophobicContact CD2-CB 4.27Å; L415-E420 HydrophobicContact CG-CB 4.48Å; S416-E420 WeakPolarHBondContact CA-OE2 3.44Å; S416-E420 WeakPolarHBondContact CB-OE2 3.25Å; S416-E420 PolarHBondContact N-OE2 3.4Å; S416-E420 VanDerWaalsContact OG-CD 3.27Å; S416-E420 PolarHBondContact OG-OE1 3.08Å; S416-E420 PolarHBondContact OG-OE2 2.82Å; T417-E420 PolarHBondContact N-OE2 3.4Å; T417-E420 PolarHBondContact O-N 2.55Å; T417-E420 VanDerWaalsContact OG1-CG 3.25Å; T417-E420 WeakPolarHBondContact OG1-CG 3.42Å; T417-E420 PolarHBondContact OG1-N 3.02Å; T417-E420 VanDerWaalsContact OG1-N 3.08Å; T417-E420 PolarHBondContact OG1-OE2 3.27Å; E420-Q423 PolarHBondContact O-N 2.77Å; E420-L424 WeakPolarHBondContact O-CB 3.48Å; E420-L424 PolarHBondContact O-N 2.72Å |
| 421 | A | 86.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N364 I367 L415 T417 I418 V419 L425 F446 | N364-A421 WeakPolarHBondContact O-CB 3.44Å; I367-A421 HydrophobicContact CD1-CB 4.45Å; I367-A421 WeakPolarHBondContact CD1-O 3.5Å; I367-A421 HydrophobicContact CG1-CB 4.18Å; L415-A421 HydrophobicContact CB-CB 4.43Å; L415-A421 HydrophobicContact CD1-CB 4.02Å; T417-A421 PolarHBondContact O-N 2.86Å; I418-A421 PolarHBondContact O-N 2.83Å; V419-A421 VanDerWaalsContact C-N 3.29Å; V419-A421 PolarHBondContact O-N 3.12Å; A421-L425 VanDerWaalsContact O-CB 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.23Å; A421-L425 PolarHBondContact O-N 2.68Å; A421-F446 HydrophobicContact CB-CE1 4.08Å |
| 422 | A | 87.6 | Confident | 85.3 | Confident | 42 Ų | 42 | 57.6 Ų | 57.6 | 35% | 0.347 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I418 V419 L425 Q426 F446 | I418-A422 WeakPolarHBondContact O-CB 3.35Å; I418-A422 PolarHBondContact O-N 2.86Å; V419-A422 PolarHBondContact O-N 3.19Å; A422-L425 PolarHBondContact O-N 3.36Å; A422-Q426 VanDerWaalsContact O-CB 3.29Å; A422-Q426 WeakPolarHBondContact O-CB 3.43Å; A422-Q426 PolarHBondContact O-N 2.85Å; A422-F446 HydrophobicContact CB-CZ 4.04Å |
| 423 | Q | 87.8 | Confident | 84.3 | Confident | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.4 | -46.4 | 178.9 | -175.3 | 176.7 | 7 | 0 | 0 | 111.6 | V419 E420 Q426 I427 | V419-Q423 VanDerWaalsContact O-CB 3.28Å; V419-Q423 WeakPolarHBondContact O-CB 2.92Å; V419-Q423 PolarHBondContact O-N 2.81Å; E420-Q423 PolarHBondContact O-N 2.77Å; Q423-Q426 PolarHBondContact O-N 3.24Å; Q423-I427 HydrophobicContact CG-CD1 3.91Å; Q423-I427 WeakPolarHBondContact O-CB 3.47Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.48Å; Q423-I427 PolarHBondContact O-N 3.12Å |
| 424 | L | 87.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.5 | -176.8 | 59.9 | 0 | 0 | 0 | 111.4 | I367 A389 L415 E420 I427 L428 | I367-L424 HydrophobicContact CD1-CB 4.03Å; I367-L424 HydrophobicContact CD1-CD2 4.05Å; I367-L424 HydrophobicContact CD1-CG 4.14Å; A389-L424 HydrophobicContact CB-CD1 3.95Å; A389-L424 HydrophobicContact CB-CD2 3.83Å; A389-L424 HydrophobicContact CB-CG 4.43Å; L415-L424 HydrophobicContact CD1-CB 4.33Å; L415-L424 HydrophobicContact CD1-CD2 3.99Å; E420-L424 WeakPolarHBondContact O-CB 3.48Å; E420-L424 PolarHBondContact O-N 2.72Å; L424-I427 PolarHBondContact O-N 3.36Å; L424-L428 HydrophobicContact CD1-CD1 3.88Å; L424-L428 HydrophobicContact CD1-CD2 4.35Å; L424-L428 HydrophobicContact CD1-CG 3.89Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.27Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 3.25Å |
| 425 | L | 88 | Confident | 83 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 7% | 0.068 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 173.9 | -177.4 | 67.4 | 0 | 0 | 0 | 111.4 | I367 A421 A422 I427 L428 Q429 V444 F446 | I367-L425 HydrophobicContact CD1-CB 4.44Å; A421-L425 VanDerWaalsContact O-CB 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.23Å; A421-L425 PolarHBondContact O-N 2.68Å; A422-L425 PolarHBondContact O-N 3.36Å; L425-I427 PolarHBondContact O-N 3.01Å; L425-L428 PolarHBondContact O-N 3Å; L425-Q429 HydrophobicContact CD1-CG 4.26Å; L425-Q429 WeakPolarHBondContact O-CB 3.46Å; L425-Q429 WeakPolarHBondContact O-CG 3.33Å; L425-Q429 PolarHBondContact O-N 2.89Å; L425-V444 HydrophobicContact CD1-CB 4.02Å; L425-V444 HydrophobicContact CD1-CG1 3.54Å; L425-V444 WeakPolarHBondContact CD1-O 3.31Å; L425-F446 HydrophobicContact CD2-CD1 4.36Å; L425-F446 HydrophobicContact CD2-CD2 3.43Å; L425-F446 VanDerWaalsContact CD2-CD2 3.43Å; L425-F446 HydrophobicContact CD2-CE1 4.28Å; L425-F446 HydrophobicContact CD2-CE2 3.34Å; L425-F446 HydrophobicContact CD2-CG 3.96Å; L425-F446 HydrophobicContact CD2-CZ 3.8Å |
| 426 | Q | 87.6 | Confident | 82.8 | Confident | 127 Ų | 127 | 62.7 Ų | 62.7 | 59% | 0.593 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.1 | -39.8 | -179.7 | -174.9 | 62.8 | 60.9 | 0 | 0 | 112.5 | A422 Q423 A430 | A422-Q426 VanDerWaalsContact O-CB 3.29Å; A422-Q426 WeakPolarHBondContact O-CB 3.43Å; A422-Q426 PolarHBondContact O-N 2.85Å; Q423-Q426 PolarHBondContact O-N 3.24Å; Q426-A430 VanDerWaalsContact O-CB 3.3Å; Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 3.3Å; Q426-A430 VanDerWaalsContact O-N 3.16Å |
| 427 | I | 86 | Confident | 82.7 | Confident | 58 Ų | 58 | 59 Ų | 59 | 30% | 0.297 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.3 | -53.6 | 174.9 | -71.8 | 166.4 | 0 | 0 | 0 | 109.9 | Y388 Q423 L424 L425 Q429 A430 L431 | Y388-I427 HydrophobicContact CD1-CG2 3.65Å; Y388-I427 HydrophobicContact CE1-CG2 4.31Å; Y388-I427 HydrophobicContact CG-CG2 4.15Å; Q423-I427 HydrophobicContact CG-CD1 3.91Å; Q423-I427 WeakPolarHBondContact O-CB 3.47Å; Q423-I427 VanDerWaalsContact O-CG1 3.26Å; Q423-I427 WeakPolarHBondContact O-CG1 3.48Å; Q423-I427 PolarHBondContact O-N 3.12Å; L424-I427 PolarHBondContact O-N 3.36Å; L425-I427 PolarHBondContact O-N 3.01Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.01Å; I427-A430 PolarHBondContact O-N 2.92Å; I427-L431 WeakPolarHBondContact O-CG 3.31Å; I427-L431 PolarHBondContact O-N 3.05Å |
| 428 | L | 84.4 | Confident | 82.4 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -30.4 | -175.1 | -65.7 | 178.1 | 0 | 0 | 0 | 113.3 | L385 Y388 L424 L425 L431 L435 V444 | L385-L428 HydrophobicContact CD2-CD1 3.67Å; L385-L428 HydrophobicContact CD2-CD2 3.87Å; L385-L428 HydrophobicContact CD2-CG 4.41Å; Y388-L428 HydrophobicContact CD2-CD2 3.64Å; Y388-L428 HydrophobicContact CE2-CD2 4.15Å; Y388-L428 HydrophobicContact CG-CD2 4.05Å; L424-L428 HydrophobicContact CD1-CD1 3.88Å; L424-L428 HydrophobicContact CD1-CD2 4.35Å; L424-L428 HydrophobicContact CD1-CG 3.89Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.27Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.47Å; L424-L428 PolarHBondContact O-N 3.25Å; L425-L428 PolarHBondContact O-N 3Å; L428-L431 HydrophobicContact CD2-CD1 3.85Å; L428-L435 HydrophobicContact CD1-CD2 4.4Å; L428-L435 HydrophobicContact CD2-CD1 4.24Å; L428-L435 HydrophobicContact CD2-CD2 4.11Å; L428-V444 HydrophobicContact CB-CG1 4.48Å; L428-V444 HydrophobicContact CB-CG2 4.08Å; L428-V444 HydrophobicContact CD1-CG1 4.09Å; L428-V444 HydrophobicContact CD1-CG2 4.2Å |
| 429 | Q | 84.9 | Confident | 81.9 | Confident | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -77.1 | -22.2 | 173.2 | -71.4 | -178.7 | -10.6 | 0 | 0 | 113.4 | L425 I427 V444 | L425-Q429 HydrophobicContact CD1-CG 4.26Å; L425-Q429 WeakPolarHBondContact O-CB 3.46Å; L425-Q429 WeakPolarHBondContact O-CG 3.33Å; L425-Q429 PolarHBondContact O-N 2.89Å; I427-Q429 VanDerWaalsContact C-N 3.3Å; I427-Q429 PolarHBondContact O-N 3.01Å; Q429-V444 PolarHBondContact NE2-O 2.93Å |
| 430 | A | 83.1 | Confident | 81.6 | Confident | 59 Ų | 59 | 63.6 Ų | 63.6 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -84.8 | -13.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q426 I427 H432 | Q426-A430 VanDerWaalsContact O-CB 3.3Å; Q426-A430 WeakPolarHBondContact O-CB 3.49Å; Q426-A430 PolarHBondContact O-N 3.3Å; Q426-A430 VanDerWaalsContact O-N 3.16Å; I427-A430 PolarHBondContact O-N 2.92Å; A430-H432 PolarHBondContact O-N 2.87Å; A430-H432 PolarHBondContact O-ND1 3.04Å |
| 431 | L | 80.1 | Confident | 81.5 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.199 | 36% | 0.364 | C | S | . | . | trans | -62.4 | 125.4 | -178.9 | -64.5 | 179.5 | 0 | 0 | 0 | 112.1 | Y388 I427 L428 P433 P434 L435 | Y388-L431 HydrophobicContact CD2-CD1 4.5Å; Y388-L431 HydrophobicContact CE1-CD1 4.2Å; Y388-L431 HydrophobicContact CE1-CD2 3.8Å; Y388-L431 HydrophobicContact CE2-CD1 3.76Å; I427-L431 WeakPolarHBondContact O-CG 3.31Å; I427-L431 PolarHBondContact O-N 3.05Å; L428-L431 HydrophobicContact CD2-CD1 3.85Å; L431-P433 CarbonylContact C-O 3.52Å; L431-P433 VanDerWaalsContact C-O 3.26Å; L431-P433 WeakPolarHBondContact CB-O 3.46Å; L431-P433 CarbonylContact O-C 3.56Å; L431-P433 VanDerWaalsContact O-C 3.26Å; L431-P434 WeakPolarHBondContact O-CA 3.47Å; L431-L435 HydrophobicContact CD1-CB 4.35Å; L431-L435 HydrophobicContact CD1-CD1 4.31Å | ||
| 432 | H | 59 | Low | 81.6 | Confident | 175 Ų | 175 | 63.7 Ų | 63.7 | 81% | 0.81 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -123.9 | 110.7 | 171 | -72.3 | 69.3 | 0 | 0 | 0 | 107.9 | A430 | A430-H432 PolarHBondContact O-N 2.87Å; A430-H432 PolarHBondContact O-ND1 3.04Å |
| 433 | P | 70.9 | Confident | 81.5 | Confident | 112 Ų | 112 | 66.8 Ų | 66.8 | 73% | 0.727 | 38% | 0.377 | S | S | * | . | S | Bend | cis | -66.8 | 158.2 | -1.1 | 30.6 | -36.9 | 0 | 0 | 0 | 113.5 | L431 | L431-P433 CarbonylContact C-O 3.52Å; L431-P433 VanDerWaalsContact C-O 3.26Å; L431-P433 WeakPolarHBondContact CB-O 3.46Å; L431-P433 CarbonylContact O-C 3.56Å; L431-P433 VanDerWaalsContact O-C 3.26Å |
| 434 | P | 75.4 | Confident | 81.6 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 154.2 | 178.7 | 27.5 | -36.2 | 0 | 0 | 0 | 112.2 | L431 T436 T441 | L431-P434 WeakPolarHBondContact O-CA 3.47Å; P434-T436 PolarHBondContact O-N 2.84Å; P434-T436 VanDerWaalsContact O-N 3.14Å; P434-T441 HydrophobicContact CG-CG2 4.07Å |
| 435 | L | 78.5 | Confident | 81.6 | Confident | 14 Ų | 14 | 64 Ų | 64 | 7% | 0.073 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 118.2 | -176.6 | -174.3 | 74.8 | 0 | 0 | 0 | 112.1 | L385 Y388 L428 L431 I437 T441 I442 | L385-L435 HydrophobicContact CD2-CD2 3.86Å; Y388-L435 HydrophobicContact CE2-CD1 4.23Å; L428-L435 HydrophobicContact CD1-CD2 4.4Å; L428-L435 HydrophobicContact CD2-CD1 4.24Å; L428-L435 HydrophobicContact CD2-CD2 4.11Å; L431-L435 HydrophobicContact CD1-CB 4.35Å; L431-L435 HydrophobicContact CD1-CD1 4.31Å; L435-I437 HydrophobicContact CD2-CD1 4.38Å; L435-I437 HydrophobicContact CG-CG1 4.45Å; L435-T441 WeakPolarHBondContact O-CA 3.49Å; L435-I442 HydrophobicContact CD2-CB 4.48Å; L435-I442 HydrophobicContact CD2-CD1 4.36Å; L435-I442 PolarHBondContact O-N 3.14Å |
| 436 | T | 81.9 | Confident | 81.7 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.9 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | P434 K440 T441 | P434-T436 PolarHBondContact O-N 2.84Å; P434-T436 VanDerWaalsContact O-N 3.14Å; T436-K440 CarbonylContact C-O 3.6Å; T436-K440 VanDerWaalsContact CA-O 3.24Å; T436-K440 WeakPolarHBondContact CA-O 3.49Å; T436-T441 HydrophobicContact CG2-CG2 3.73Å |
| 437 | I | 83.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 131.7 | 171 | -53.1 | -170.7 | 0 | 0 | 0 | 108.2 | S380 I381 A384 L435 G439 K440 I442 | S380-I437 VanDerWaalsContact OG-CG2 3.25Å; S380-I437 WeakPolarHBondContact OG-CG2 3.47Å; I381-I437 HydrophobicContact CG1-CD1 4.39Å; A384-I437 HydrophobicContact CB-CD1 3.51Å; A384-I437 HydrophobicContact CB-CG1 3.61Å; L435-I437 HydrophobicContact CD2-CD1 4.38Å; L435-I437 HydrophobicContact CG-CG1 4.45Å; I437-G439 PolarHBondContact O-N 2.87Å; I437-G439 VanDerWaalsContact O-N 3.11Å; I437-K440 PolarHBondContact N-O 3Å; I437-K440 PolarHBondContact O-N 2.91Å; I437-I442 HydrophobicContact CB-CD1 3.86Å; I437-I442 HydrophobicContact CD1-CD1 3.36Å; I437-I442 HydrophobicContact CG1-CD1 3.45Å; I437-I442 VanDerWaalsContact CG1-CD1 3.45Å; I437-I442 HydrophobicContact CG1-CG1 4.44Å |
| 438 | D | 78.4 | Confident | 81.2 | Confident | 73 Ų | 73 | 63.2 Ų | 63.2 | 39% | 0.39 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 41 | -176.1 | -45.8 | -45.2 | 0 | 0 | 0 | 113.7 | N373 S376 S380 K440 | N373-D438 HydrophobicContact CB-CB 4.16Å; N373-D438 PolarHBondContact ND2-O 2.82Å; S376-D438 WeakPolarHBondContact CA-OD2 3.13Å; S376-D438 WeakPolarHBondContact CB-OD2 3.2Å; S376-D438 PolarHBondContact OG-OD2 2.85Å; S380-D438 PolarHBondContact OG-OD1 2.69Å; S380-D438 PolarHBondContact OG-OD2 2.92Å; D438-K440 PolarHBondContact O-N 3.35Å |
| 439 | G | 74.4 | Confident | 79.7 | Confident | 76 Ų | 76 | 65.4 Ų | 65.4 | 78% | 0.784 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 5.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | I437 | I437-G439 PolarHBondContact O-N 2.87Å; I437-G439 VanDerWaalsContact O-N 3.11Å |
| 440 | K | 81.9 | Confident | 77.5 | Confident | 75 Ų | 75 | 65 Ų | 65 | 33% | 0.326 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 134.3 | 177.4 | -72 | -178.2 | 175.9 | 169.5 | 0 | 112.2 | N373 T436 I437 D438 | N373-K440 HydrophobicContact CB-CD 3.97Å; N373-K440 WeakPolarHBondContact OD1-CE 3.48Å; N373-K440 PolarHBondContact OD1-NZ 2.78Å; T436-K440 CarbonylContact C-O 3.6Å; T436-K440 VanDerWaalsContact CA-O 3.24Å; T436-K440 WeakPolarHBondContact CA-O 3.49Å; I437-K440 PolarHBondContact N-O 3Å; I437-K440 PolarHBondContact O-N 2.91Å; D438-K440 PolarHBondContact O-N 3.35Å |
| 441 | T | 83.7 | Confident | 75.5 | Confident | 69 Ų | 69 | 71 Ų | 71 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 132.5 | 172.2 | 44.2 | 0 | 0 | 0 | 0 | 110.8 | N371 P434 L435 T436 | N371-T441 PolarHBondContact ND2-O 2.78Å; P434-T441 HydrophobicContact CG-CG2 4.07Å; L435-T441 WeakPolarHBondContact O-CA 3.49Å; T436-T441 HydrophobicContact CG2-CG2 3.73Å |
| 442 | I | 88.6 | Confident | 73.4 | Confident | 10 Ų | 10 | 77.3 Ų | 77.3 | 5% | 0.051 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -101.5 | 133.9 | -178 | -66.7 | -176.1 | 0 | 0 | 0 | 110.7 | L369 R370 L372 L435 I437 V444 | L369-I442 HydrophobicContact CB-CG2 3.89Å; L369-I442 HydrophobicContact CD1-CD1 4.32Å; L369-I442 HydrophobicContact CD2-CG2 4.03Å; L369-I442 HydrophobicContact CG-CG2 4.38Å; R370-I442 WeakPolarHBondContact O-CA 3.36Å; R370-I442 WeakPolarHBondContact O-CG2 3.35Å; L372-I442 HydrophobicContact CD2-CD1 3.46Å; L372-I442 VanDerWaalsContact CD2-CD1 3.46Å; L372-I442 HydrophobicContact CD2-CG1 4.34Å; L372-I442 HydrophobicContact CG-CD1 4.16Å; L435-I442 HydrophobicContact CD2-CB 4.48Å; L435-I442 HydrophobicContact CD2-CD1 4.36Å; L435-I442 PolarHBondContact O-N 3.14Å; I437-I442 HydrophobicContact CB-CD1 3.86Å; I437-I442 HydrophobicContact CD1-CD1 3.36Å; I437-I442 HydrophobicContact CG1-CD1 3.45Å; I437-I442 VanDerWaalsContact CG1-CD1 3.45Å; I437-I442 HydrophobicContact CG1-CG1 4.44Å; I442-V444 HydrophobicContact CG2-CG2 3.95Å |
| 443 | N | 85.8 | Confident | 72 | Confident | 106 Ų | 106 | 75.3 Ų | 75.3 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 119.7 | 167.9 | -66.1 | -26.4 | 0 | 0 | 0 | 108.8 | R370 | R370-N443 HydrophobicContact CB-CB 4.25Å; R370-N443 PolarHBondContact N-O 2.88Å; R370-N443 PolarHBondContact O-N 3.49Å |
| 444 | V | 89.3 | Confident | 70.1 | Confident | 15 Ų | 15 | 75.8 Ų | 75.8 | 9% | 0.091 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.4 | -178.4 | -165.5 | 0 | 0 | 0 | 0 | 108.9 | I367 L369 L425 L428 Q429 I442 | I367-V444 HydrophobicContact CG2-CG1 3.42Å; I367-V444 VanDerWaalsContact CG2-CG1 3.42Å; L369-V444 HydrophobicContact CD2-CG1 4.02Å; L369-V444 HydrophobicContact CD2-CG2 4.07Å; L425-V444 HydrophobicContact CD1-CB 4.02Å; L425-V444 HydrophobicContact CD1-CG1 3.54Å; L425-V444 WeakPolarHBondContact CD1-O 3.31Å; L428-V444 HydrophobicContact CB-CG1 4.48Å; L428-V444 HydrophobicContact CB-CG2 4.08Å; L428-V444 HydrophobicContact CD1-CG1 4.09Å; L428-V444 HydrophobicContact CD1-CG2 4.2Å; Q429-V444 PolarHBondContact NE2-O 2.93Å; I442-V444 HydrophobicContact CG2-CG2 3.95Å |
| 445 | E | 89.3 | Confident | 68.1 | Low | 52 Ų | 52 | 76.9 Ų | 76.9 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 156.3 | -177.5 | -166.7 | -168.1 | -179.9 | 0 | 0 | 109 | I367 I368 R370 K448 | I367-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 HydrophobicContact CG2-CB 3.95Å; I368-E445 WeakPolarHBondContact CG2-O 3.24Å; I368-E445 PolarHBondContact N-O 2.92Å; I368-E445 PolarHBondContact O-N 2.88Å; I368-E445 VanDerWaalsContact O-N 3.14Å; R370-E445 IonicContact CZ-OE2 2.96Å; R370-E445 IonicContact NE-OE2 3.34Å; R370-E445 PolarHBondContact NE-OE2 3.37Å; R370-E445 IonicContact NH2-OE2 2.63Å; R370-E445 PolarHBondContact NH2-OE2 2.92Å; E445-K448 WeakPolarHBondContact OE1-CE 3.37Å; E445-K448 IonicContact OE1-NZ 3.67Å; E445-K448 PolarHBondContact OE1-NZ 3.26Å |
| 446 | F | 89.8 | Confident | 65.8 | Low | 39 Ų | 39 | 81.8 Ų | 81.8 | 17% | 0.171 | 47% | 0.469 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 140.6 | 161.9 | -77.5 | -65.7 | 0 | 0 | 0 | 110.3 | N362 N364 A421 A422 L425 K448 | N362-F446 VanDerWaalsContact O-CB 3.24Å; N362-F446 WeakPolarHBondContact O-CB 3.37Å; N362-F446 VanDerWaalsContact O-CD2 3.31Å; N362-F446 WeakPolarHBondContact O-CD2 3.36Å; N362-F446 WeakPolarHBondContact O-CG 3.28Å; N364-F446 HydrophobicContact CB-CD1 4.29Å; N364-F446 WeakPolarHBondContact O-CE1 3.13Å; A421-F446 HydrophobicContact CB-CE1 4.08Å; A422-F446 HydrophobicContact CB-CZ 4.04Å; L425-F446 HydrophobicContact CD2-CD1 4.36Å; L425-F446 HydrophobicContact CD2-CD2 3.43Å; L425-F446 VanDerWaalsContact CD2-CD2 3.43Å; L425-F446 HydrophobicContact CD2-CE1 4.28Å; L425-F446 HydrophobicContact CD2-CE2 3.34Å; L425-F446 HydrophobicContact CD2-CG 3.96Å; L425-F446 HydrophobicContact CD2-CZ 3.8Å; F446-K448 PolarHBondContact O-N 3.32Å; F446-K448 VanDerWaalsContact O-N 3.08Å |
| 447 | A | 84.5 | Confident | 63.4 | Low | 12 Ų | 12 | 85.5 Ų | 85.5 | 10% | 0.099 | 49% | 0.485 | C | S | . | . | trans | -69.2 | 108.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | T366 I368 F412 G449 | T366-A447 HydrophobicContact CG2-CB 3.88Å; T366-A447 VanDerWaalsContact O-CB 3.28Å; T366-A447 WeakPolarHBondContact O-CB 3.21Å; T366-A447 PolarHBondContact O-N 3.46Å; I368-A447 HydrophobicContact CB-CB 4.29Å; F412-A447 HydrophobicContact CD1-CB 3.92Å; F412-A447 HydrophobicContact CE1-CB 3.96Å; A447-G449 PolarHBondContact O-N 3.43Å | ||
| 448 | K | 77.3 | Confident | 61 | Low | 130 Ų | 130 | 93.1 Ų | 93.1 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | trans | -59 | 113.4 | 176 | -75.4 | 175.9 | 171.8 | 141.8 | 0 | 109.8 | E445 F446 S450 | E445-K448 WeakPolarHBondContact OE1-CE 3.37Å; E445-K448 IonicContact OE1-NZ 3.67Å; E445-K448 PolarHBondContact OE1-NZ 3.26Å; F446-K448 PolarHBondContact O-N 3.32Å; F446-K448 VanDerWaalsContact O-N 3.08Å; K448-S450 PolarHBondContact O-N 3.11Å | ||
| 449 | G | 53.4 | Low | 58.7 | Low | 54 Ų | 54 | 93 Ų | 93 | 56% | 0.557 | 54% | 0.537 | S | S | * | . | trans | -56.7 | 122.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A447 K451 | A447-G449 PolarHBondContact O-N 3.43Å; G449-K451 PolarHBondContact O-N 3.18Å | ||
| 450 | S | 39.7 | Very low | 56.8 | Low | 101 Ų | 101 | 93.9 Ų | 93.9 | 71% | 0.706 | 53% | 0.531 | S | S | * | . | trans | -71.2 | 102.8 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 109 | K448 R452 | K448-S450 PolarHBondContact O-N 3.11Å; S450-R452 VanDerWaalsContact C-N 3.26Å; S450-R452 PolarHBondContact O-N 3Å; S450-R452 WeakPolarHBondContact OG-CG 3.34Å | ||
| 451 | K | 41 | Very low | 54.7 | Low | 183 Ų | 183 | 101.8 Ų | 101.8 | 80% | 0.796 | 56% | 0.559 | S | S | * | * | trans | -63.9 | 88.9 | 166.6 | -175.5 | -170 | 174 | -172.6 | 0 | 108.6 | G449 | G449-K451 PolarHBondContact O-N 3.18Š| ||
| 452 | R | 34.8 | Very low | 52.6 | Low | 171 Ų | 171 | 104.7 Ų | 104.7 | 65% | 0.645 | 57% | 0.571 | S | S | * | * | trans | -93.5 | 114.4 | 171.4 | -60.4 | -174.8 | 71.4 | -158 | 1.4 | 109 | S450 M454 | S450-R452 VanDerWaalsContact C-N 3.26Å; S450-R452 PolarHBondContact O-N 3Å; S450-R452 WeakPolarHBondContact OG-CG 3.34Å; R452-M454 HydrophobicContact CB-CG 3.72Å; R452-M454 HydrophobicContact CB-SD 4.41Å; R452-M454 PolarHBondContact NH2-SD 2.98Å; R452-M454 VanDerWaalsContact NH2-SD 3.43Å; R452-M454 PolarHBondContact O-N 3.27Å; R452-M454 VanDerWaalsContact O-N 3.1Å | ||
| 453 | D | 31.1 | Very low | 50.2 | Low | 133 Ų | 133 | 107.2 Ų | 107.2 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -64.7 | 108 | 161 | -61.9 | -74.4 | 0 | 0 | 0 | 108.2 | ||||
| 454 | M | 30.3 | Very low | 48.1 | Very low | 122 Ų | 122 | 105.9 Ų | 105.9 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | trans | -121.1 | 73.6 | -177.2 | -67.4 | -84.2 | 81.7 | 0 | 0 | 110.1 | R452 | R452-M454 HydrophobicContact CB-CG 3.72Å; R452-M454 HydrophobicContact CB-SD 4.41Å; R452-M454 PolarHBondContact NH2-SD 2.98Å; R452-M454 VanDerWaalsContact NH2-SD 3.43Å; R452-M454 PolarHBondContact O-N 3.27Å; R452-M454 VanDerWaalsContact O-N 3.1Å | ||
| 455 | A | 32.2 | Very low | 45.8 | Very low | 93 Ų | 93 | 106.9 Ų | 106.9 | 77% | 0.769 | 60% | 0.603 | S | S | * | * | trans | -69.6 | 146.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 456 | S | 30.8 | Very low | 44 | Very low | 118 Ų | 118 | 106.2 Ų | 106.2 | 83% | 0.825 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 81.2 | 97.8 | -177.7 | -51.2 | 0 | 0 | 0 | 0 | 116.9 | ||
| 457 | N | 32.5 | Very low | 42 | Very low | 159 Ų | 159 | 109.1 Ų | 109.1 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 64.8 | 64.1 | 137.2 | -150.2 | 73.2 | 0 | 0 | 0 | 120.2 | ||
| 458 | E | 31.2 | Very low | 39.8 | Very low | 164 Ų | 164 | 110.8 Ų | 110.8 | 77% | 0.766 | 64% | 0.639 | S | S | * | * | -159.4 | 126.2 | 128.6 | -179.1 | 59.2 | -175 | 0 | 0 | 110.7 | S460 | E458-S460 PolarHBondContact O-N 2.62Š| |||
| 459 | G | 30.2 | Very low | 38.4 | Very low | 71 Ų | 71 | 105.2 Ų | 105.2 | 73% | 0.732 | 62% | 0.616 | S | S | * | * | trans | -89.6 | 75.6 | -157.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 460 | S | 35 | Very low | 38.6 | Very low | 95 Ų | 95 | 106.4 Ų | 106.4 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | trans | 46.9 | 81.8 | 152.1 | -69.5 | 0 | 0 | 0 | 0 | 119.3 | E458 I462 | E458-S460 PolarHBondContact O-N 2.62Å; S460-I462 PolarHBondContact O-N 3.11Å | ||
| 461 | R | 38.2 | Very low | 38.7 | Very low | 241 Ų | 241 | 104.5 Ų | 104.5 | 91% | 0.909 | 60% | 0.603 | S | S | * | * | trans | -77.7 | 67.3 | 156.6 | -59.4 | -175.9 | -164.8 | -176.3 | 4.8 | 111.3 | S463 | R461-S463 PolarHBondContact O-N 3.36Š| ||
| 462 | I | 39.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 100.4 Ų | 100.4 | 67% | 0.667 | 59% | 0.588 | S | S | * | * | trans | -76.9 | 111.6 | 173.9 | -61.7 | 172.6 | 0 | 0 | 0 | 108.3 | S460 A464 | S460-I462 PolarHBondContact O-N 3.11Å; I462-A464 PolarHBondContact O-N 2.99Å | ||
| 463 | S | 39.2 | Very low | 39.9 | Very low | 62 Ų | 62 | 94.3 Ų | 94.3 | 43% | 0.434 | 58% | 0.575 | S | S | . | * | trans | -64.9 | 121.6 | -174.4 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | R461 A465 S466 | R461-S463 PolarHBondContact O-N 3.36Å; S463-A465 PolarHBondContact O-N 3.43Å; S463-A465 VanDerWaalsContact O-N 3.13Å; S463-A465 PolarHBondContact OG-N 3.07Å; S463-S466 WeakPolarHBondContact O-CB 3.23Å; S463-S466 PolarHBondContact O-N 3.4Å | ||
| 464 | A | 41.6 | Very low | 40.4 | Very low | 78 Ų | 78 | 90.9 Ų | 90.9 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.2 | -23.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I462 S466 V467 A468 | I462-A464 PolarHBondContact O-N 2.99Å; A464-S466 VanDerWaalsContact C-N 3.29Å; A464-S466 PolarHBondContact O-N 2.92Å; A464-V467 PolarHBondContact O-N 2.85Å; A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 3.45Å |
| 465 | A | 39.9 | Very low | 41.1 | Very low | 36 Ų | 36 | 87.5 Ų | 87.5 | 30% | 0.298 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -31.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T417 S463 S469 | T417-A465 HydrophobicContact CG2-CB 4.21Å; S463-A465 PolarHBondContact O-N 3.43Å; S463-A465 VanDerWaalsContact O-N 3.13Å; S463-A465 PolarHBondContact OG-N 3.07Å; A465-S469 VanDerWaalsContact O-CB 3.23Å; A465-S469 WeakPolarHBondContact O-CB 3.3Å; A465-S469 PolarHBondContact O-N 3.43Å; A465-S469 PolarHBondContact O-OG 3.37Å |
| 466 | S | 52.4 | Low | 41.6 | Very low | 39 Ų | 39 | 89 Ų | 89 | 27% | 0.273 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63 | -54 | 174.9 | 160.6 | 0 | 0 | 0 | 0 | 110.9 | I418 S463 A464 A468 S469 T470 | I418-S466 VanDerWaalsContact CD1-OG 3.29Å; I418-S466 WeakPolarHBondContact CD1-OG 3.32Å; S463-S466 WeakPolarHBondContact O-CB 3.23Å; S463-S466 PolarHBondContact O-N 3.4Å; A464-S466 VanDerWaalsContact C-N 3.29Å; A464-S466 PolarHBondContact O-N 2.92Å; S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 3.23Å; S466-S469 WeakPolarHBondContact O-CB 3.43Å; S466-S469 PolarHBondContact O-N 2.92Å; S466-S469 VanDerWaalsContact O-N 3.11Å; S466-T470 PolarHBondContact O-N 2.86Å; S466-T470 PolarHBondContact O-OG1 3.19Å |
| 467 | V | 47.9 | Very low | 42.3 | Very low | 99 Ų | 99 | 93.4 Ų | 93.4 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | -179.7 | -175.5 | 0 | 0 | 0 | 0 | 111.5 | A464 A471 | A464-V467 PolarHBondContact O-N 2.85Å; V467-A471 WeakPolarHBondContact O-CB 3.35Å; V467-A471 PolarHBondContact O-N 2.91Å; V467-A471 VanDerWaalsContact O-N 3.11Å |
| 468 | A | 37.8 | Very low | 42.8 | Very low | 48 Ų | 48 | 88.9 Ų | 88.9 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A464 S466 A471 I472 | A464-A468 WeakPolarHBondContact O-CB 3.33Å; A464-A468 PolarHBondContact O-N 3.45Å; S466-A468 VanDerWaalsContact C-N 3.32Å; S466-A468 PolarHBondContact O-N 3.23Å; A468-A471 PolarHBondContact O-N 2.91Å; A468-I472 VanDerWaalsContact O-CG1 3.27Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 2.77Å |
| 469 | S | 47.5 | Very low | 43.2 | Very low | 12 Ų | 12 | 86.8 Ų | 86.8 | 8% | 0.084 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 177 | -61.9 | 0 | 0 | 0 | 0 | 111.5 | A465 S466 A471 I472 A473 | A465-S469 VanDerWaalsContact O-CB 3.23Å; A465-S469 WeakPolarHBondContact O-CB 3.3Å; A465-S469 PolarHBondContact O-N 3.43Å; A465-S469 PolarHBondContact O-OG 3.37Å; S466-S469 WeakPolarHBondContact O-CB 3.43Å; S466-S469 PolarHBondContact O-N 2.92Å; S466-S469 VanDerWaalsContact O-N 3.11Å; S469-A471 VanDerWaalsContact C-N 3.32Å; S469-A471 PolarHBondContact O-N 3.28Å; S469-I472 PolarHBondContact O-N 2.89Å; S469-A473 WeakPolarHBondContact O-CB 3.29Å; S469-A473 PolarHBondContact O-N 2.67Å |
| 470 | T | 58.7 | Low | 43.8 | Very low | 79 Ų | 79 | 87.1 Ų | 87.1 | 49% | 0.485 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -38.5 | 177.8 | -53.5 | 0 | 0 | 0 | 0 | 111.7 | S466 A474 | S466-T470 PolarHBondContact O-N 2.86Å; S466-T470 PolarHBondContact O-OG1 3.19Å; T470-A474 WeakPolarHBondContact O-CB 3.34Å; T470-A474 PolarHBondContact O-N 2.8Å |
| 471 | A | 41.5 | Very low | 44.2 | Very low | 61 Ų | 61 | 90.6 Ų | 90.6 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V467 A468 S469 A475 | V467-A471 WeakPolarHBondContact O-CB 3.35Å; V467-A471 PolarHBondContact O-N 2.91Å; V467-A471 VanDerWaalsContact O-N 3.11Å; A468-A471 PolarHBondContact O-N 2.91Å; S469-A471 VanDerWaalsContact C-N 3.32Å; S469-A471 PolarHBondContact O-N 3.28Å; A471-A475 WeakPolarHBondContact O-CB 3.44Å; A471-A475 PolarHBondContact O-N 2.78Å |
| 472 | I | 53.5 | Low | 44.1 | Very low | 97 Ų | 97 | 83.2 Ų | 83.2 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 177 | -69.3 | 163.8 | 0 | 0 | 0 | 110.8 | A468 S469 A475 Q476 | A468-I472 VanDerWaalsContact O-CG1 3.27Å; A468-I472 WeakPolarHBondContact O-CG1 3.23Å; A468-I472 PolarHBondContact O-N 2.77Å; S469-I472 PolarHBondContact O-N 2.89Å; I472-A475 PolarHBondContact O-N 2.89Å; I472-Q476 WeakPolarHBondContact O-CG 3.47Å; I472-Q476 PolarHBondContact O-N 2.87Å |
| 473 | A | 46.8 | Very low | 43.9 | Very low | 43 Ų | 43 | 81.4 Ų | 81.4 | 36% | 0.355 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S469 A475 Q476 W477 | S469-A473 WeakPolarHBondContact O-CB 3.29Å; S469-A473 PolarHBondContact O-N 2.67Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.65Å; A473-Q476 PolarHBondContact O-N 2.86Å; A473-W477 PolarHBondContact O-N 3.36Å |
| 474 | A | 42.5 | Very low | 43.8 | Very low | 62 Ų | 62 | 87 Ų | 87 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T470 W477 A478 | T470-A474 WeakPolarHBondContact O-CB 3.34Å; T470-A474 PolarHBondContact O-N 2.8Å; A474-W477 PolarHBondContact O-N 2.84Å; A474-A478 PolarHBondContact O-N 3.46Å |
| 475 | A | 43.8 | Very low | 43.3 | Very low | 50 Ų | 50 | 87.1 Ų | 87.1 | 41% | 0.413 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A471 I472 A473 A478 I479 | A471-A475 WeakPolarHBondContact O-CB 3.44Å; A471-A475 PolarHBondContact O-N 2.78Å; I472-A475 PolarHBondContact O-N 2.89Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.65Å; A475-A478 PolarHBondContact O-N 3.2Å; A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.46Å; A475-I479 PolarHBondContact O-N 3.16Å |
| 476 | Q | 43.7 | Very low | 42.8 | Very low | 125 Ų | 125 | 88.8 Ų | 88.8 | 58% | 0.584 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.9 | -39.3 | 175.4 | -74.5 | 177.2 | -32.5 | 0 | 0 | 112.2 | I472 A473 I479 S480 | I472-Q476 WeakPolarHBondContact O-CG 3.47Å; I472-Q476 PolarHBondContact O-N 2.87Å; A473-Q476 PolarHBondContact O-N 2.86Å; Q476-I479 PolarHBondContact O-N 2.75Å; Q476-S480 PolarHBondContact O-N 2.99Å |
| 477 | W | 45.6 | Very low | 41.6 | Very low | 211 Ų | 211 | 96.7 Ų | 96.7 | 80% | 0.799 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 174.9 | -79.1 | 53 | 0 | 0 | 0 | 112.1 | A473 A474 I479 S480 Q481 | A473-W477 PolarHBondContact O-N 3.36Å; A474-W477 PolarHBondContact O-N 2.84Å; W477-I479 VanDerWaalsContact C-N 3.32Å; W477-I479 PolarHBondContact O-N 3.22Å; W477-S480 PolarHBondContact O-N 2.8Å; W477-Q481 PolarHBondContact O-N 2.65Å |
| 478 | A | 42 | Very low | 40.8 | Very low | 63 Ų | 63 | 95.6 Ų | 95.6 | 52% | 0.521 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.1 | -34.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A474 A475 Q481 | A474-A478 PolarHBondContact O-N 3.46Å; A475-A478 PolarHBondContact O-N 3.2Å; A478-Q481 PolarHBondContact O-N 3.32Å |
| 479 | I | 39.5 | Very low | 40.3 | Very low | 121 Ų | 121 | 97.6 Ų | 97.6 | 62% | 0.621 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 174.3 | -68.6 | 162.5 | 0 | 0 | 0 | 111.1 | A475 Q476 W477 Q481 A482 | A475-I479 VanDerWaalsContact O-CG1 3.31Å; A475-I479 WeakPolarHBondContact O-CG1 3.46Å; A475-I479 PolarHBondContact O-N 3.16Å; Q476-I479 PolarHBondContact O-N 2.75Å; W477-I479 VanDerWaalsContact C-N 3.32Å; W477-I479 PolarHBondContact O-N 3.22Å; I479-Q481 VanDerWaalsContact C-N 3.26Å; I479-Q481 PolarHBondContact O-N 3.26Å; I479-A482 WeakPolarHBondContact O-CB 3.42Å; I479-A482 PolarHBondContact O-N 3.39Å |
| 480 | S | 43.5 | Very low | 39.2 | Very low | 78 Ų | 78 | 108.8 Ų | 108.8 | 55% | 0.545 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -68.3 | -21.2 | 178.4 | -167.1 | 0 | 0 | 0 | 0 | 114.2 | Q476 W477 A482 | Q476-S480 PolarHBondContact O-N 2.99Å; W477-S480 PolarHBondContact O-N 2.8Å; S480-A482 VanDerWaalsContact C-N 3.32Å |
| 481 | Q | 43.1 | Very low | 37.8 | Very low | 168 Ų | 168 | 108.7 Ų | 108.7 | 79% | 0.785 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.7 | -24.3 | 170.7 | -70.6 | -85.7 | 0.6 | 0 | 0 | 112.1 | W477 A478 I479 | W477-Q481 PolarHBondContact O-N 2.65Å; A478-Q481 PolarHBondContact O-N 3.32Å; I479-Q481 VanDerWaalsContact C-N 3.26Å; I479-Q481 PolarHBondContact O-N 3.26Å |
| 482 | A | 36.4 | Very low | 37.1 | Very low | 85 Ų | 85 | 112.2 Ų | 112.2 | 70% | 0.702 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -2.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I479 S480 | I479-A482 WeakPolarHBondContact O-CB 3.42Å; I479-A482 PolarHBondContact O-N 3.39Å; S480-A482 VanDerWaalsContact C-N 3.32Å |
| 483 | S | 35.2 | Very low | 35.7 | Very low | 93 Ų | 93 | 113.7 Ų | 113.7 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 6.9 | -177.3 | 66.8 | 0 | 0 | 0 | 0 | 115 | ||
| 484 | Q | 36.7 | Very low | 35.1 | Very low | 179 Ų | 179 | 121 Ų | 121 | 84% | 0.836 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -123.9 | 73.2 | 172.3 | -66.8 | -170.7 | 47.5 | 0 | 0 | 109.9 | ||
| 485 | G | 31.6 | Very low | 34.2 | Very low | 81 Ų | 81 | 126.6 Ų | 126.6 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | 179.2 | 68.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 486 | G | 28.4 | Very low | 34.6 | Very low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | trans | -171 | 135.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 487 | E | 29.1 | Very low | 34.7 | Very low | 204 Ų | 204 | 128.1 Ų | 128.1 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | cis | -144.3 | 154.6 | -4.9 | -61.4 | -175.7 | 127 | 0 | 0 | 109.1 | ||||
| 488 | G | 29.1 | Very low | 33.8 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | -179.5 | 79.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 489 | A | 27.4 | Very low | 33 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | 35.3 | 121.6 | 148 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 490 | W | 24.4 | Very low | 32.3 | Very low | 248 Ų | 248 | 133.6 Ų | 133.6 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | 51.9 | 110.9 | 133.6 | -66 | 87.7 | 0 | 0 | 0 | 122.6 | ||||
| 491 | A | 29.3 | Very low | 31.5 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | 48 | 109.2 | 127.4 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 492 | T | 27.3 | Very low | 30.7 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 42.1 | 122 | 133.6 | 58.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 493 | S | 25.3 | Very low | 30.3 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | -161.9 | 162.7 | 125.9 | -104.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 494 | E | 33.5 | Very low | 29.9 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -96.1 | 171.1 | 179.4 | -64.2 | 167.6 | 105.6 | 0 | 0 | 112.1 | ||||
| 495 | E | 24.5 | Very low | 29.3 | Very low | 181 Ų | 181 | 140.6 Ų | 140.6 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -83.7 | 169.6 | 165.6 | -77.2 | -155.2 | 131.6 | 0 | 0 | 111.6 | ||||
| 496 | P | 50.9 | Low | 28.9 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 69% | 0.688 | 77% | 0.774 | S | S | * | * | cis | -129.2 | -148.9 | -46.3 | 41.2 | -24.3 | 0 | 0 | 0 | 108.1 | ||||
| 497 | P | 45.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 146.8 Ų | 146.8 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -128.4 | -173.2 | -20.3 | 42.2 | -25.7 | 0 | 0 | 0 | 114.2 | ||||
| 498 | V | 27.1 | Very low | 28.9 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 76% | 0.759 | S | S | * | * | trans | 60.9 | 158.5 | 168.8 | -55.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 499 | D | 25.3 | Very low | 28.9 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | cis | -143 | -168.8 | 11.6 | -162.6 | 6.6 | 0 | 0 | 0 | 112.5 | ||||
| 500 | Y | 24.9 | Very low | 29 | Very low | 218 Ų | 218 | 145.1 Ų | 145.1 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -76.5 | 168.7 | -166.2 | -138.1 | -104.8 | 0 | 0 | 0 | 117.4 | ||||
| 501 | S | 27.4 | Very low | 29 | Very low | 96 Ų | 96 | 140.6 Ų | 140.6 | 67% | 0.671 | 75% | 0.748 | S | S | * | * | trans | -99.7 | 146.3 | -171.7 | 61.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 502 | Y | 24.9 | Very low | 29.1 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | trans | -155.1 | 111.5 | 162.6 | -154 | -104.9 | 0 | 0 | 0 | 116.9 | ||||
| 503 | Y | 28.9 | Very low | 29.2 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 67% | 0.667 | 75% | 0.754 | S | S | * | * | trans | 56.4 | 131.1 | 140.3 | -86.2 | -101.7 | 0 | 0 | 0 | 127.3 | ||||
| 504 | Q | 26.2 | Very low | 29.4 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | trans | 67.2 | 119 | 132 | -98.4 | 179.7 | -31.7 | 0 | 0 | 126.2 | ||||
| 505 | Q | 24.8 | Very low | 29.2 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 66% | 0.659 | 74% | 0.739 | S | S | * | * | 74.1 | 148 | 122.3 | -93 | -174.5 | -96.3 | 0 | 0 | 125.3 | |||||
| 506 | D | 22.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | trans | 64.2 | 154.5 | 150.1 | -76.8 | -139.2 | 0 | 0 | 0 | 120.8 | ||||
| 507 | E | 28.6 | Very low | 28.1 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | cis | -173 | 151.9 | -33.8 | -116.7 | -83.4 | 129 | 0 | 0 | 109.1 | ||||
| 508 | G | 29.9 | Very low | 27.4 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | trans | 75.7 | 171.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 509 | Y | 29.4 | Very low | 27.6 | Very low | 214 Ų | 214 | 138.4 Ų | 138.4 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | cis | -163.9 | 150.3 | -13.9 | -143.9 | -88.5 | 0 | 0 | 0 | 114.7 | ||||
| 510 | G | 28 | Very low | 27.6 | Very low | 58 Ų | 58 | 141.2 Ų | 141.2 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | trans | 84.1 | 157.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 511 | N | 25.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | cis | -172.6 | 164.2 | -3.8 | -99.5 | -24.8 | 0 | 0 | 0 | 108.4 | ||||
| 512 | S | 31.5 | Very low | 27.5 | Very low | 92 Ų | 92 | 139.1 Ų | 139.1 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | cis | -170.4 | -179.4 | -18.4 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 513 | Q | 29.4 | Very low | 27.5 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 73% | 0.732 | S | S | * | * | trans | 69.4 | 136.6 | 178.2 | -55.9 | -177.1 | -13.5 | 0 | 0 | 117.3 | ||||
| 514 | G | 29.5 | Very low | 27.4 | Very low | 61 Ų | 61 | 136.3 Ų | 136.3 | 63% | 0.629 | 75% | 0.746 | S | S | * | * | cis | 173.1 | 150.2 | -13.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 515 | T | 29.2 | Very low | 27.9 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | trans | 65.7 | 137.4 | 152.9 | 48.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 516 | E | 24.8 | Very low | 28 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | cis | -143.3 | 147.6 | 13 | -62 | -174.2 | 167.3 | 0 | 0 | 114.7 | ||||
| 517 | S | 27.7 | Very low | 28.2 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | 43.7 | 159.3 | 138.9 | -77.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 518 | S | 30.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | 176.9 | 160.7 | -19.1 | -89.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 519 | L | 30.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | cis | -165.2 | 145.1 | -24.3 | -108.4 | 174.3 | 0 | 0 | 0 | 111.1 | ||||
| 520 | Y | 26.3 | Very low | 28.2 | Very low | 212 Ų | 212 | 137 Ų | 137 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | 47.3 | 117.6 | 147.6 | -102.1 | -119.8 | 0 | 0 | 0 | 125.5 | ||||
| 521 | A | 24.3 | Very low | 29.1 | Very low | 75 Ų | 75 | 141 Ų | 141 | 62% | 0.62 | 80% | 0.803 | S | S | * | * | 79.7 | 165 | 116 | 0 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 522 | H | 25.9 | Very low | 29.3 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | 72.6 | 147.5 | 177.1 | -71.7 | -85.4 | 0 | 0 | 0 | 119.4 | ||||
| 523 | G | 25.3 | Very low | 29.4 | Very low | 64 Ų | 64 | 139.8 Ų | 139.8 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | -150.6 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 524 | Y | 25.7 | Very low | 29.3 | Very low | 249 Ų | 249 | 136.9 Ų | 136.9 | 98% | 0.976 | 80% | 0.798 | S | S | * | * | trans | -159.4 | 164.5 | 176.7 | -119.7 | -82.9 | 0 | 0 | 0 | 113.2 | ||||
| 525 | L | 36.1 | Very low | 29.2 | Very low | 163 Ų | 163 | 136.8 Ų | 136.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -99 | 140.3 | -176 | -91.5 | 161.9 | 0 | 0 | 0 | 114.9 | ||||
| 526 | K | 27.4 | Very low | 29.2 | Very low | 211 Ų | 211 | 136.8 Ų | 136.8 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -171.4 | 144.5 | 154.1 | -120.4 | 170.5 | -179 | 171.6 | 0 | 109.9 | ||||
| 527 | G | 27.5 | Very low | 29.4 | Very low | 77 Ų | 77 | 138.5 Ų | 138.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | cis | 150.9 | 119.1 | -9.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 528 | S | 31.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -125.5 | 169.3 | 171 | 61.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 529 | K | 30.1 | Very low | 29.2 | Very low | 210 Ų | 210 | 139.4 Ų | 139.4 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -106.3 | 145.4 | -153.2 | -56.6 | 177.8 | -176.4 | 176.5 | 0 | 114.1 | ||||
| 530 | G | 26.2 | Very low | 30.2 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -81.8 | -151.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 531 | P | 47.1 | Very low | 30.3 | Very low | 140 Ų | 140 | 133.6 Ų | 133.6 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | cis | -119.7 | -178.1 | 13.6 | 41.9 | -29.5 | 0 | 0 | 0 | 113.9 | ||||
| 532 | G | 29.8 | Very low | 30.4 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | cis | 161 | 177.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 533 | I | 32.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 81% | 0.809 | S | S | * | * | trans | 57.6 | 115.6 | 168.4 | 60.2 | 171 | 0 | 0 | 0 | 118.8 | ||||
| 534 | T | 28.4 | Very low | 30.5 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | 77.4 | 139.4 | 54.7 | 65.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 535 | G | 26.5 | Very low | 31.4 | Very low | 58 Ų | 58 | 124 Ų | 124 | 60% | 0.598 | 80% | 0.804 | S | S | * | * | cis | -147.6 | 174.1 | 9.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 536 | T | 29.8 | Very low | 30.9 | Very low | 142 Ų | 142 | 124.8 Ų | 124.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | 63.1 | 135.8 | 63.5 | 72.3 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 537 | K | 29.3 | Very low | 30.8 | Very low | 208 Ų | 208 | 118.3 Ų | 118.3 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | cis | -145.3 | 176.4 | 10.6 | -97.8 | 164.6 | 176 | -177.9 | 0 | 108.6 | ||||
| 538 | G | 26.4 | Very low | 30.7 | Very low | 64 Ų | 64 | 120 Ų | 120 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | 139.2 | 139.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 539 | D | 27 | Very low | 30.5 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | 65.6 | 171.3 | 161.9 | -86 | -56.5 | 0 | 0 | 0 | 119.9 | ||||
| 540 | P | 51 | Low | 30.3 | Very low | 101 Ų | 101 | 120 Ų | 120 | 66% | 0.656 | 78% | 0.783 | S | S | * | * | cis | -133.1 | 160.5 | -1.7 | 25.2 | -1.2 | 0 | 0 | 0 | 118.7 | ||||
| 541 | T | 28.9 | Very low | 31.3 | Very low | 135 Ų | 135 | 122.3 Ų | 122.3 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 51.3 | 123.9 | 145.9 | 59 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 542 | G | 26.5 | Very low | 30.2 | Very low | 75 Ų | 75 | 119 Ų | 119 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | 128 | 135.4 | 126.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 543 | A | 29 | Very low | 30.1 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | trans | 68.9 | 159.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 544 | G | 24.7 | Very low | 29.8 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -109.8 | -148.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 545 | P | 44.2 | Very low | 29.8 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -135.5 | -146.1 | 5.5 | 44.6 | -25.2 | 0 | 0 | 0 | 113.2 | ||||
| 546 | E | 24.4 | Very low | 29.9 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -24.2 | 169.9 | 155.2 | -68 | -172.2 | 128.3 | 0 | 0 | 119.3 | ||||
| 547 | A | 26.7 | Very low | 29.8 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | cis | 177.6 | -178.5 | -23.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 548 | S | 23.8 | Very low | 29.6 | Very low | 111 Ų | 111 | 117.2 Ų | 117.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 65.2 | 131 | 156.7 | -60.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 549 | L | 28.1 | Very low | 29.6 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | -155.4 | 132.2 | 110.6 | -103.8 | 170.5 | 0 | 0 | 0 | 111.1 | |||||
| 550 | E | 25.6 | Very low | 29.6 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -87.9 | -174.6 | -179.3 | -86.8 | -76.3 | 126.7 | 0 | 0 | 111.8 | ||||
| 551 | P | 46.2 | Very low | 28.3 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | cis | -134.4 | 178.4 | -6.9 | 20.8 | 4.3 | 0 | 0 | 0 | 116.2 | ||||
| 552 | G | 25.3 | Very low | 28.3 | Very low | 71 Ų | 71 | 123 Ų | 123 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | 131.3 | 108.6 | 128.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 553 | A | 27.4 | Very low | 28.2 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 67.4 | 112.3 | 143.3 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 554 | D | 27.3 | Very low | 28.2 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | 56.4 | 100.8 | 125.8 | -57.9 | -18.9 | 0 | 0 | 0 | 124.6 | |||||
| 555 | S | 28.3 | Very low | 28.5 | Very low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | 89.4 | 157.8 | 115.1 | 80.9 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 556 | V | 27.9 | Very low | 28.8 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | 79.6 | 93.8 | 159.6 | -171.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 557 | S | 27.4 | Very low | 29.1 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | 68.7 | 131.1 | 114.6 | -137.2 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 558 | M | 25.1 | Very low | 29.2 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | 82.4 | 122.8 | 139 | -72.5 | -87.4 | -85.7 | 0 | 0 | 125.2 | ||||
| 559 | Q | 27.3 | Very low | 29.4 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 67 | 118.6 | 133.5 | -81.4 | -178.4 | -7.8 | 0 | 0 | 125.6 | ||||
| 560 | A | 25.6 | Very low | 30.3 | Very low | 86 Ų | 86 | 127.4 Ų | 127.4 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | 66.5 | 147.2 | 117.8 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 561 | F | 24.1 | Very low | 30.5 | Very low | 211 Ų | 211 | 123.1 Ų | 123.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -148.5 | 143 | 163.8 | -92 | -74.1 | 0 | 0 | 0 | 112.7 | ||||
| 562 | S | 28.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -152.6 | 151.5 | 167.9 | -89.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 563 | R | 24.8 | Very low | 29.6 | Very low | 251 Ų | 251 | 130.6 Ų | 130.6 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -161.8 | 139.9 | -172.2 | -168.7 | 180 | -179.5 | 149 | 2.4 | 110.5 | ||||
| 564 | A | 30.1 | Very low | 29.5 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | cis | -160.2 | 177.8 | -14.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 565 | Q | 29.6 | Very low | 29.5 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | -87 | 169.9 | -179.8 | -95.5 | -83.4 | -27.2 | 0 | 0 | 113.1 | ||||
| 566 | P | 51.3 | Low | 29.5 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | -138.2 | 175.1 | 64.6 | 36.7 | -17.4 | 0 | 0 | 0 | 115.4 | |||||
| 567 | G | 30.8 | Very low | 29.4 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 63% | 0.629 | 78% | 0.779 | S | S | * | * | cis | 145.9 | 162.6 | -3.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 568 | A | 29.3 | Very low | 29.4 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | cis | -174 | 140.6 | -15.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 569 | A | 28.2 | Very low | 29.4 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | 72.4 | 166.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 570 | P | 46 | Very low | 29.4 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | cis | -94.4 | -149 | -8.3 | 42 | -36 | 0 | 0 | 0 | 111.5 | ||||
| 571 | G | 29.3 | Very low | 29.4 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | 175.4 | -178.6 | 2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 572 | I | 26.1 | Very low | 29.6 | Very low | 143 Ų | 143 | 129.3 Ų | 129.3 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | cis | -163.4 | 140.8 | -10.2 | -127.2 | 176.5 | 0 | 0 | 0 | 109 | ||||
| 573 | Y | 26.4 | Very low | 29.5 | Very low | 201 Ų | 201 | 132.1 Ų | 132.1 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | trans | 49.1 | 136.6 | 171.8 | -73.6 | -110.6 | 0 | 0 | 0 | 120 | ||||
| 574 | Q | 26.8 | Very low | 29.6 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | cis | 102.7 | 112.5 | 13.3 | -166.9 | -175.8 | 18 | 0 | 0 | 116.1 | ||||
| 575 | Q | 26.8 | Very low | 29.4 | Very low | 178 Ų | 178 | 126.6 Ų | 126.6 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | 150.7 | 153.5 | 127.9 | -161.9 | 155.3 | 62.9 | 0 | 0 | 116.1 | |||||
| 576 | S | 27.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -56.8 | 141.1 | -167.8 | -43.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 577 | A | 26.8 | Very low | 28 | Very low | 93 Ų | 93 | 121.8 Ų | 121.8 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | 64.7 | 157.5 | 112.6 | 0 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 578 | E | 26 | Very low | 27.9 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | 87.4 | 155.5 | 155.4 | -62.7 | -161.5 | 134.8 | 0 | 0 | 123.4 | ||||
| 579 | A | 26.3 | Very low | 27.9 | Very low | 90 Ų | 90 | 125.6 Ų | 125.6 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | 90.6 | 102.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 580 | S | 26.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 128.9 Ų | 128.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | 75.2 | 108 | 119.5 | -54.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 581 | S | 25.3 | Very low | 26.9 | Very low | 116 Ų | 116 | 127 Ų | 127 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | 19.6 | 135.6 | 130.8 | 63 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 582 | S | 28.7 | Very low | 26.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | -168.6 | 172 | 117.1 | 72.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 583 | Q | 27.4 | Very low | 27 | Very low | 185 Ų | 185 | 131.9 Ų | 131.9 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 167 | 163.7 | -59.6 | 138.6 | -29.8 | 0 | 0 | 110.8 | ||||
| 584 | G | 25.8 | Very low | 27.3 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 128.3 | 107.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 585 | T | 26.3 | Very low | 27.2 | Very low | 158 Ų | 158 | 130.6 Ų | 130.6 | 97% | 0.969 | 78% | 0.783 | S | S | * | * | trans | -155.4 | 166.5 | 174 | 35.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 586 | A | 25.9 | Very low | 27.4 | Very low | 102 Ų | 102 | 127.1 Ų | 127.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -133.3 | 158.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 587 | A | 26.7 | Very low | 28 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -175.2 | 139.8 | 148 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 588 | N | 27.4 | Very low | 28.1 | Very low | 157 Ų | 157 | 128.3 Ų | 128.3 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | 53.6 | 153.4 | 143.6 | -75.6 | -1.9 | 0 | 0 | 0 | 122.5 | ||||
| 589 | S | 29.1 | Very low | 28.3 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 56% | 0.559 | 78% | 0.779 | S | S | * | * | cis | -177.7 | 148.6 | -20.5 | 52 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 590 | Q | 28.6 | Very low | 28.4 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | trans | 67.3 | 118.2 | 158.6 | -68.8 | 168.6 | 5 | 0 | 0 | 115.9 | ||||
| 591 | S | 25 | Very low | 28.4 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | 60.2 | 145.9 | 86.7 | 66.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 592 | Y | 28.7 | Very low | 28.4 | Very low | 193 Ų | 193 | 133.5 Ų | 133.5 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | cis | -168.8 | 165.9 | 36.3 | 24.9 | -108 | 0 | 0 | 0 | 113.6 | ||||
| 593 | T | 29 | Very low | 28.2 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 70.2 | 102.9 | 151.4 | -50.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 594 | I | 31.7 | Very low | 28.2 | Very low | 153 Ų | 153 | 134 Ų | 134 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 17.1 | 130.1 | 125.3 | -50.8 | 163.3 | 0 | 0 | 0 | 119.6 | |||||
| 595 | M | 26 | Very low | 28.1 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | 180 | 153.2 | 120.8 | -97.6 | -168.4 | 80.9 | 0 | 0 | 114.1 | |||||
| 596 | S | 31.3 | Very low | 27.9 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | -83.8 | 172.4 | 174.1 | -40 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 597 | P | 40.3 | Very low | 28.6 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | -141.1 | -167.1 | 110.4 | 39.5 | -26.7 | 0 | 0 | 0 | 113.6 | |||||
| 598 | A | 27.8 | Very low | 28.5 | Very low | 88 Ų | 88 | 140.3 Ų | 140.3 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -140.7 | 163.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 599 | V | 30.6 | Very low | 28.5 | Very low | 134 Ų | 134 | 141.1 Ų | 141.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | 52.8 | 126.5 | 154.4 | 175.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 600 | L | 27.8 | Very low | 28.8 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -150.2 | 154.9 | 143.8 | -111.1 | 170.4 | 0 | 0 | 0 | 111.2 | ||||
| 601 | K | 26.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 141.3 Ų | 141.3 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -114 | 157 | 176.7 | -76.4 | -176.6 | 172.2 | -173.8 | 0 | 110.5 | ||||
| 602 | S | 26.8 | Very low | 28.9 | Very low | 132 Ų | 132 | 142.5 Ų | 142.5 | 92% | 0.923 | 81% | 0.808 | S | S | * | * | trans | -164.5 | 174.8 | 143.7 | -97.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 603 | E | 23.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -127 | 164.5 | -155.6 | -101.5 | 168.5 | 63.2 | 0 | 0 | 115.3 | ||||
| 604 | L | 27.4 | Very low | 28.8 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | 59.4 | 120.1 | 150.1 | -71.4 | 163.2 | 0 | 0 | 0 | 120.6 | ||||
| 605 | Q | 23.6 | Very low | 29 | Very low | 196 Ų | 196 | 138.1 Ų | 138.1 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | -173.6 | 161.2 | 99.2 | -99.9 | 176.9 | 5.9 | 0 | 0 | 113.5 | |||||
| 606 | S | 24 | Very low | 29.7 | Very low | 108 Ų | 108 | 135 Ų | 135 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -138.3 | 159.3 | 171.8 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 607 | P | 40.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 76% | 0.76 | 81% | 0.808 | S | S | * | * | -142.1 | -174.6 | 110.5 | 39.1 | -23.4 | 0 | 0 | 0 | 111.3 | |||||
| 608 | T | 23.6 | Very low | 29 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | cis | -155.2 | 160.4 | 16.5 | -25.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 609 | H | 27.7 | Very low | 29.2 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 81% | 0.806 | 81% | 0.813 | S | S | * | * | trans | -103.6 | 168.2 | 166.6 | -61.7 | -87.2 | 0 | 0 | 0 | 111.6 | ||||
| 610 | P | 35.1 | Very low | 29.6 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | -135.3 | -177.8 | 103.1 | 38.8 | -28.9 | 0 | 0 | 0 | 114.1 | |||||
| 611 | S | 26.7 | Very low | 30.1 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -140.5 | 149 | -167 | 173.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 612 | S | 28.5 | Very low | 30.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -166.2 | 142.3 | 150.9 | -135 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 613 | A | 27.6 | Very low | 30.6 | Very low | 93 Ų | 93 | 131.9 Ų | 131.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 61.7 | 139.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 614 | L | 29.7 | Very low | 31.3 | Very low | 166 Ų | 166 | 131 Ų | 131 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | trans | -119.4 | 158.5 | 155.1 | -79.1 | 168.6 | 0 | 0 | 0 | 106.2 | ||||
| 615 | P | 36 | Very low | 31.9 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | cis | -148 | -151.6 | 48.2 | 37.3 | -12 | 0 | 0 | 0 | 113.3 | ||||
| 616 | P | 40.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | -122.6 | 169.9 | -63.1 | 33.9 | -18.9 | 0 | 0 | 0 | 114.3 | |||||
| 617 | A | 29.7 | Very low | 35 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 58.8 | 90.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 618 | T | 27.1 | Very low | 36.1 | Very low | 149 Ų | 149 | 125.1 Ų | 125.1 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | trans | -152 | 141.4 | 133.8 | 26.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 619 | S | 31.3 | Very low | 38.3 | Very low | 114 Ų | 114 | 123.6 Ų | 123.6 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -84.2 | 147.7 | 159.7 | 52.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 620 | P | 38.9 | Very low | 40.5 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | -144.1 | 164.7 | 80 | 38.6 | -22 | 0 | 0 | 0 | 116.3 | |||||
| 621 | T | 38 | Very low | 42.3 | Very low | 130 Ų | 130 | 118.1 Ų | 118.1 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | trans | 24.8 | 105.8 | 144.9 | -45.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 622 | A | 30.5 | Very low | 44.7 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | trans | -104.8 | 131.4 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 623 | Q | 33.6 | Very low | 46.9 | Very low | 182 Ų | 182 | 112.3 Ų | 112.3 | 85% | 0.85 | 67% | 0.674 | S | S | * | * | trans | -87.1 | 135.1 | 168.9 | -65.2 | 173.4 | -98.1 | 0 | 0 | 108.8 | S625 | Q623-S625 PolarHBondContact O-N 3.23Š| ||
| 624 | E | 37.3 | Very low | 49.2 | Very low | 148 Ų | 148 | 110.6 Ų | 110.6 | 69% | 0.692 | 65% | 0.654 | S | S | * | * | trans | -68.3 | 114.9 | 168.5 | -69.3 | 177.4 | 138.5 | 0 | 0 | 109.4 | Y626 | E624-Y626 VanDerWaalsContact C-N 3.34Å; E624-Y626 HydrophobicContact CB-CD2 3.99Å; E624-Y626 HydrophobicContact CB-CE2 3.45Å; E624-Y626 VanDerWaalsContact CB-CE2 3.45Å; E624-Y626 HydrophobicContact CG-CE2 4.45Å; E624-Y626 VanDerWaalsContact O-CD2 3.26Å; E624-Y626 WeakPolarHBondContact O-CD2 3.44Å; E624-Y626 PolarHBondContact O-N 2.68Å; E624-Y626 WeakPolarHBondContact OE2-CE2 3.42Å; E624-Y626 PolarHBondContact OE2-OH 2.8Å | ||
| 625 | S | 40.9 | Very low | 51.5 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 84% | 0.839 | 65% | 0.646 | S | S | * | * | trans | -80.4 | 80.4 | 177.4 | 58.6 | 0 | 0 | 0 | 0 | 110.4 | Q623 S627 | Q623-S625 PolarHBondContact O-N 3.23Å; S625-S627 PolarHBondContact O-N 2.76Å | ||
| 626 | Y | 52.6 | Low | 53.4 | Low | 111 Ų | 111 | 105.7 Ų | 105.7 | 44% | 0.435 | 63% | 0.633 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 130.6 | 171.6 | -70.1 | -87.6 | 0 | 0 | 0 | 110.8 | E624 Q628 T679 | E624-Y626 VanDerWaalsContact C-N 3.34Å; E624-Y626 HydrophobicContact CB-CD2 3.99Å; E624-Y626 HydrophobicContact CB-CE2 3.45Å; E624-Y626 VanDerWaalsContact CB-CE2 3.45Å; E624-Y626 HydrophobicContact CG-CE2 4.45Å; E624-Y626 VanDerWaalsContact O-CD2 3.26Å; E624-Y626 WeakPolarHBondContact O-CD2 3.44Å; E624-Y626 PolarHBondContact O-N 2.68Å; E624-Y626 WeakPolarHBondContact OE2-CE2 3.42Å; E624-Y626 PolarHBondContact OE2-OH 2.8Å; Y626-Q628 PolarHBondContact O-N 2.78Å; Y626-T679 HydrophobicContact CD1-CG2 4.08Å |
| 627 | S | 60.5 | Low | 55.6 | Low | 81 Ų | 81 | 101.2 Ų | 101.2 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 118.8 | 172.3 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | S625 Y629 T679 | S625-S627 PolarHBondContact O-N 2.76Å; S627-Y629 WeakPolarHBondContact O-CD2 3.45Å; S627-Y629 WeakPolarHBondContact O-CE2 3.47Å; S627-T679 PolarHBondContact O-OG1 3.13Å |
| 628 | Q | 61.9 | Low | 58.2 | Low | 132 Ų | 132 | 103.8 Ų | 103.8 | 62% | 0.617 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 125.8 | -176.3 | -161.7 | 168.5 | 63.9 | 0 | 0 | 111.2 | Y626 R677 R678 | Y626-Q628 PolarHBondContact O-N 2.78Å; Q628-R677 PolarHBondContact NE2-O 2.84Å; Q628-R678 HydrophobicContact CG-CB 3.65Å |
| 629 | Y | 71 | Confident | 61 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 38% | 0.38 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -102.4 | 160.5 | -178.9 | -65.2 | -90.4 | 0 | 0 | 0 | 111.2 | S627 T651 R678 Y680 | S627-Y629 WeakPolarHBondContact O-CD2 3.45Å; S627-Y629 WeakPolarHBondContact O-CE2 3.47Å; Y629-T651 HydrophobicContact CD1-CG2 4.36Å; Y629-R678 PolarHBondContact N-O 2.84Å; Y629-Y680 HydrophobicContact CD2-CD2 4.26Å; Y629-Y680 HydrophobicContact CG-CD2 4.49Å; Y629-Y680 HydrophobicContact CG-CE2 4.37Å |
| 630 | P | 72.9 | Confident | 63.4 | Low | 95 Ų | 95 | 98.4 Ų | 98.4 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 159.3 | 165.1 | -22.4 | 34.4 | 0 | 0 | 0 | 111.6 | P632 W673 | P630-P632 VanDerWaalsContact O-CD 3.27Å; P630-P632 WeakPolarHBondContact O-CD 3.46Å; P630-W673 WeakPolarHBondContact O-CH2 3.23Å |
| 631 | V | 74.2 | Confident | 65.3 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.9 | 171.4 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | D633 | V631-D633 PolarHBondContact O-N 2.79Š|
| 632 | P | 76.1 | Confident | 67.1 | Low | 24 Ų | 24 | 101.4 Ų | 101.4 | 16% | 0.156 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 119.5 | -172.4 | -20 | 33.6 | 0 | 0 | 0 | 111.6 | P630 Y637 W673 Y680 | P630-P632 VanDerWaalsContact O-CD 3.27Å; P630-P632 WeakPolarHBondContact O-CD 3.46Å; P632-Y637 WeakPolarHBondContact CB-OH 3.28Å; P632-W673 HydrophobicContact CG-CD2 3.67Å; P632-W673 HydrophobicContact CG-CE3 3.57Å; P632-W673 HydrophobicContact CG-CG 4.28Å; P632-W673 HydrophobicContact CG-CH2 4.02Å; P632-W673 HydrophobicContact CG-CZ2 4.15Å; P632-W673 HydrophobicContact CG-CZ3 3.75Å; P632-Y680 WeakPolarHBondContact CB-OH 3.36Å; P632-Y680 HydrophobicContact CG-CE1 4.13Å; P632-Y680 WeakPolarHBondContact CG-OH 3.26Å |
| 633 | D | 75.3 | Confident | 69.1 | Low | 86 Ų | 86 | 98.6 Ų | 98.6 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | trans | -92.8 | 101.6 | 178.8 | -172 | -16 | 0 | 0 | 0 | 110.4 | V631 S635 T636 Y637 | V631-D633 PolarHBondContact O-N 2.79Å; D633-S635 VanDerWaalsContact CG-OG 3.24Å; D633-S635 PolarHBondContact O-N 2.99Å; D633-S635 VanDerWaalsContact O-N 3.08Å; D633-S635 VanDerWaalsContact OD1-CB 3.29Å; D633-S635 WeakPolarHBondContact OD1-CB 3.45Å; D633-S635 PolarHBondContact OD1-N 2.81Å; D633-S635 PolarHBondContact OD1-OG 3.08Å; D633-S635 PolarHBondContact OD2-OG 3.39Å; D633-T636 HydrophobicContact CB-CG2 4.04Å; D633-T636 PolarHBondContact O-N 2.85Å; D633-T636 PolarHBondContact O-OG1 2.95Å; D633-Y637 VanDerWaalsContact O-CE1 3.27Å; D633-Y637 WeakPolarHBondContact O-CE1 3.48Å | ||
| 634 | V | 74.7 | Confident | 71.3 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -57.9 | -21.4 | 179.3 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | T636 Y637 Y655 | V634-T636 PolarHBondContact O-N 2.98Å; V634-Y637 HydrophobicContact CB-CD2 4.36Å; V634-Y637 HydrophobicContact CB-CE2 4.02Å; V634-Y637 HydrophobicContact CG1-CD2 4.07Å; V634-Y637 HydrophobicContact CG1-CE2 4.04Å; V634-Y637 HydrophobicContact CG2-CE2 3.85Å; V634-Y655 HydrophobicContact CG1-CD1 3.79Å; V634-Y655 HydrophobicContact CG1-CE1 3.47Å; V634-Y655 VanDerWaalsContact CG1-CE1 3.47Å; V634-Y655 HydrophobicContact CG2-CE1 4.23Å |
| 635 | S | 78.2 | Confident | 73.5 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 71% | 0.706 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -73.8 | -12.3 | 174.6 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | D633 | D633-S635 VanDerWaalsContact CG-OG 3.24Å; D633-S635 PolarHBondContact O-N 2.99Å; D633-S635 VanDerWaalsContact O-N 3.08Å; D633-S635 VanDerWaalsContact OD1-CB 3.29Å; D633-S635 WeakPolarHBondContact OD1-CB 3.45Å; D633-S635 PolarHBondContact OD1-N 2.81Å; D633-S635 PolarHBondContact OD1-OG 3.08Å; D633-S635 PolarHBondContact OD2-OG 3.39Å |
| 636 | T | 76.8 | Confident | 75.6 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 48% | 0.479 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -96.2 | -7.5 | 179.1 | 68.1 | 0 | 0 | 0 | 0 | 114.5 | D633 V634 | D633-T636 HydrophobicContact CB-CG2 4.04Å; D633-T636 PolarHBondContact O-N 2.85Å; D633-T636 PolarHBondContact O-OG1 2.95Å; V634-T636 PolarHBondContact O-N 2.98Å |
| 637 | Y | 85.9 | Confident | 77.3 | Confident | 17 Ų | 17 | 85.1 Ų | 85.1 | 7% | 0.067 | 45% | 0.454 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 145.4 | -177.2 | -54.6 | -13.8 | 0 | 0 | 0 | 111.8 | P632 D633 V634 D648 Y655 Y662 | P632-Y637 WeakPolarHBondContact CB-OH 3.28Å; D633-Y637 VanDerWaalsContact O-CE1 3.27Å; D633-Y637 WeakPolarHBondContact O-CE1 3.48Å; V634-Y637 HydrophobicContact CB-CD2 4.36Å; V634-Y637 HydrophobicContact CB-CE2 4.02Å; V634-Y637 HydrophobicContact CG1-CD2 4.07Å; V634-Y637 HydrophobicContact CG1-CE2 4.04Å; V634-Y637 HydrophobicContact CG2-CE2 3.85Å; Y637-D648 HydrophobicContact CD1-CB 3.71Å; Y637-D648 HydrophobicContact CE1-CB 3.87Å; Y637-D648 HydrophobicContact CG-CB 4.29Å; Y637-Y655 HydrophobicContact CD2-CD1 4.04Å; Y637-Y655 HydrophobicContact CD2-CG 4.08Å; Y637-Y655 AromaticContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD2 4.4Å; Y637-Y655 AromaticContact CE2-CG 3.74Å; Y637-Y655 HydrophobicContact CE2-CG 3.74Å; Y637-Y662 AromaticContact CE2-CE1 3.81Å; Y637-Y662 HydrophobicContact CE2-CE1 3.81Å; Y637-Y662 AromaticContact CZ-CE1 3.83Å; Y637-Y662 WeakPolarHBondContact OH-CE1 3.46Å; Y637-Y662 PolarHBondContact OH-OH 3.03Å |
| 638 | Q | 84.1 | Confident | 78.5 | Confident | 146 Ų | 146 | 81.6 Ų | 81.6 | 68% | 0.682 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.3 | 179.1 | -171.7 | 133.9 | 63.1 | 0 | 0 | 110 | D640 Y647 | Q638-D640 PolarHBondContact O-N 3.38Å; Q638-Y647 PolarHBondContact N-O 3.09Å; Q638-Y647 PolarHBondContact O-N 3.14Å |
| 639 | Y | 86.9 | Confident | 79.1 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 45% | 0.447 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 126.4 | 174.5 | -176.8 | -111.3 | 0 | 0 | 0 | 110.8 | E641 Y646 | Y639-E641 HydrophobicContact CD1-CG 4.02Å; Y639-E641 HydrophobicContact CE1-CB 4.45Å; Y639-E641 HydrophobicContact CE1-CG 3.93Å; Y639-Y646 AromaticContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CE1 4.29Å; Y639-Y646 AromaticContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CG 4.23Å; Y639-Y646 AromaticContact CD2-CZ 3.72Å; Y639-Y646 HydrophobicContact CE2-CD2 4.33Å; Y639-Y646 AromaticContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CG-CE2 4.32Å |
| 640 | D | 80.8 | Confident | 79.2 | Confident | 37 Ų | 37 | 81.8 Ų | 81.8 | 20% | 0.198 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 105.7 | 175.4 | 167.6 | 20.2 | 0 | 0 | 0 | 109.6 | Q638 T642 S643 G644 Y645 | Q638-D640 PolarHBondContact O-N 3.38Å; D640-T642 PolarHBondContact O-N 2.86Å; D640-T642 VanDerWaalsContact O-N 3.1Å; D640-T642 WeakPolarHBondContact OD1-CB 3.47Å; D640-T642 PolarHBondContact OD1-N 3.05Å; D640-T642 PolarHBondContact OD1-OG1 3.3Å; D640-T642 PolarHBondContact OD2-OG1 3.13Å; D640-S643 PolarHBondContact O-N 3.28Å; D640-S643 VanDerWaalsContact OD2-CB 3.24Å; D640-S643 WeakPolarHBondContact OD2-CB 3.34Å; D640-S643 PolarHBondContact OD2-OG 2.85Å; D640-G644 PolarHBondContact O-N 2.85Å; D640-Y645 PolarHBondContact N-O 3.5Å |
| 641 | E | 78.8 | Confident | 79.3 | Confident | 172 Ų | 172 | 79.3 Ų | 79.3 | 80% | 0.804 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.2 | -180 | -58.5 | -172.1 | 147.9 | 0 | 0 | 113.4 | Y639 | Y639-E641 HydrophobicContact CD1-CG 4.02Å; Y639-E641 HydrophobicContact CE1-CB 4.45Å; Y639-E641 HydrophobicContact CE1-CG 3.93Å |
| 642 | T | 76.5 | Confident | 79.6 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 81% | 0.81 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -26.2 | -178.2 | 72.8 | 0 | 0 | 0 | 0 | 113.7 | D640 | D640-T642 PolarHBondContact O-N 2.86Å; D640-T642 VanDerWaalsContact O-N 3.1Å; D640-T642 WeakPolarHBondContact OD1-CB 3.47Å; D640-T642 PolarHBondContact OD1-N 3.05Å; D640-T642 PolarHBondContact OD1-OG1 3.3Å; D640-T642 PolarHBondContact OD2-OG1 3.13Å |
| 643 | S | 72.2 | Confident | 80.1 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 30% | 0.301 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -19.8 | 176.5 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | D640 Y645 | D640-S643 PolarHBondContact O-N 3.28Å; D640-S643 VanDerWaalsContact OD2-CB 3.24Å; D640-S643 WeakPolarHBondContact OD2-CB 3.34Å; D640-S643 PolarHBondContact OD2-OG 2.85Å; S643-Y645 VanDerWaalsContact C-N 3.25Å; S643-Y645 VanDerWaalsContact O-CD2 3.27Å; S643-Y645 WeakPolarHBondContact O-CD2 3.33Å; S643-Y645 WeakPolarHBondContact O-CE2 3.34Å |
| 644 | G | 79.6 | Confident | 80.7 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 8.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | D640 | D640-G644 PolarHBondContact O-N 2.85Š|
| 645 | Y | 83.2 | Confident | 81.3 | Confident | 82 Ų | 82 | 71.9 Ų | 71.9 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 165.4 | -177.8 | -58.2 | -60.7 | 0 | 0 | 0 | 111.6 | D640 S643 D656 | D640-Y645 PolarHBondContact N-O 3.5Å; S643-Y645 VanDerWaalsContact C-N 3.25Å; S643-Y645 VanDerWaalsContact O-CD2 3.27Å; S643-Y645 WeakPolarHBondContact O-CD2 3.33Å; S643-Y645 WeakPolarHBondContact O-CE2 3.34Å; Y645-D656 HydrophobicContact CD1-CB 3.72Å; Y645-D656 HydrophobicContact CE1-CB 3.79Å |
| 646 | Y | 86.1 | Confident | 81.7 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 109 | 179.2 | -76.8 | -107.4 | 0 | 0 | 0 | 109.7 | Y639 Y655 P657 | Y639-Y646 AromaticContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CD2 3.68Å; Y639-Y646 HydrophobicContact CD2-CE1 4.29Å; Y639-Y646 AromaticContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CE2 3.38Å; Y639-Y646 HydrophobicContact CD2-CG 4.23Å; Y639-Y646 AromaticContact CD2-CZ 3.72Å; Y639-Y646 HydrophobicContact CE2-CD2 4.33Å; Y639-Y646 AromaticContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CE2-CE2 3.91Å; Y639-Y646 HydrophobicContact CG-CE2 4.32Å; Y646-Y655 PolarHBondContact N-O 3.34Å; Y646-Y655 PolarHBondContact O-N 3.38Å; Y646-P657 HydrophobicContact CD2-CG 3.43Å; Y646-P657 VanDerWaalsContact CD2-CG 3.43Å; Y646-P657 HydrophobicContact CE2-CG 3.48Å; Y646-P657 VanDerWaalsContact CE2-CG 3.48Å; Y646-P657 HydrophobicContact CG-CG 4.41Å |
| 647 | Y | 87 | Confident | 81.8 | Confident | 81 Ų | 81 | 67.7 Ų | 67.7 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 127 | -179.7 | 179.3 | -109.4 | 0 | 0 | 0 | 111.7 | Q638 P649 Y654 | Q638-Y647 PolarHBondContact N-O 3.09Å; Q638-Y647 PolarHBondContact O-N 3.14Å; Y647-P649 HydrophobicContact CD1-CB 4.47Å; Y647-P649 HydrophobicContact CE1-CB 3.98Å; Y647-P649 WeakPolarHBondContact O-CD 3.15Å; Y647-Y654 HydrophobicContact CD2-CD1 4.14Å; Y647-Y654 AromaticContact CD2-CD2 3.95Å; Y647-Y654 HydrophobicContact CD2-CD2 3.95Å; Y647-Y654 AromaticContact CD2-CE1 3.87Å; Y647-Y654 HydrophobicContact CD2-CE1 3.87Å; Y647-Y654 AromaticContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CG 4.2Å; Y647-Y654 AromaticContact CD2-CZ 3.61Å; Y647-Y654 HydrophobicContact CE2-CD2 4.47Å; Y647-Y654 AromaticContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CG-CE1 4.28Å |
| 648 | D | 85.8 | Confident | 81.4 | Confident | 7 Ų | 7 | 74.2 Ų | 74.2 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 111.2 | 168.4 | 174.6 | 22.1 | 0 | 0 | 0 | 110.7 | Y637 Q650 T651 G652 L653 | Y637-D648 HydrophobicContact CD1-CB 3.71Å; Y637-D648 HydrophobicContact CE1-CB 3.87Å; Y637-D648 HydrophobicContact CG-CB 4.29Å; D648-Q650 PolarHBondContact O-N 2.85Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.33Å; D648-Q650 PolarHBondContact OD1-N 2.05Å; D648-T651 VanDerWaalsContact OD2-CB 3.24Å; D648-T651 WeakPolarHBondContact OD2-CB 3.43Å; D648-T651 WeakPolarHBondContact OD2-CG2 3.42Å; D648-T651 PolarHBondContact OD2-N 3.49Å; D648-T651 PolarHBondContact OD2-OG1 3.41Å; D648-G652 WeakPolarHBondContact O-CA 3.27Å; D648-G652 PolarHBondContact O-N 3.47Å; D648-L653 PolarHBondContact N-O 3.44Å |
| 649 | P | 74.1 | Confident | 81.2 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 54% | 0.539 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -10.5 | 176.9 | 31 | -36.1 | 0 | 0 | 0 | 114.2 | Y647 | Y647-P649 HydrophobicContact CD1-CB 4.47Å; Y647-P649 HydrophobicContact CE1-CB 3.98Å; Y647-P649 WeakPolarHBondContact O-CD 3.15Å |
| 650 | Q | 73.4 | Confident | 80.9 | Confident | 150 Ų | 150 | 70.5 Ų | 70.5 | 70% | 0.701 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -38.6 | 177.3 | -56.9 | -170.3 | 26.5 | 0 | 0 | 112.6 | D648 | D648-Q650 PolarHBondContact O-N 2.85Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.33Å; D648-Q650 PolarHBondContact OD1-N 2.05Å |
| 651 | T | 75.5 | Confident | 81.1 | Confident | 43 Ų | 43 | 73.2 Ų | 73.2 | 26% | 0.264 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -13.2 | -179.9 | 64.9 | 0 | 0 | 0 | 0 | 114 | Y629 D648 L653 Y680 | Y629-T651 HydrophobicContact CD1-CG2 4.36Å; D648-T651 VanDerWaalsContact OD2-CB 3.24Å; D648-T651 WeakPolarHBondContact OD2-CB 3.43Å; D648-T651 WeakPolarHBondContact OD2-CG2 3.42Å; D648-T651 PolarHBondContact OD2-N 3.49Å; D648-T651 PolarHBondContact OD2-OG1 3.41Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 WeakPolarHBondContact OG1-CG 3.38Å; T651-Y680 HydrophobicContact CG2-CE2 3.76Å |
| 652 | G | 80.6 | Confident | 81.6 | Confident | 19 Ų | 19 | 65.6 Ų | 65.6 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 17.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | D648 | D648-G652 WeakPolarHBondContact O-CA 3.27Å; D648-G652 PolarHBondContact O-N 3.47Å |
| 653 | L | 87 | Confident | 82.1 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 147.6 | -176.4 | -58 | 177 | 0 | 0 | 0 | 111.3 | D648 T651 Y662 N664 L671 Y680 | D648-L653 PolarHBondContact N-O 3.44Å; T651-L653 VanDerWaalsContact C-N 3.28Å; T651-L653 WeakPolarHBondContact OG1-CG 3.38Å; L653-Y662 HydrophobicContact CB-CD1 4.19Å; L653-Y662 HydrophobicContact CD1-CD1 4.33Å; L653-N664 HydrophobicContact CD2-CB 3.53Å; L653-L671 HydrophobicContact CD2-CD1 4.46Å; L653-Y680 HydrophobicContact CD1-CD1 3.72Å; L653-Y680 HydrophobicContact CD1-CD2 3.74Å; L653-Y680 HydrophobicContact CD1-CE1 3.7Å; L653-Y680 HydrophobicContact CD1-CE2 3.72Å; L653-Y680 HydrophobicContact CD1-CG 3.72Å |
| 654 | Y | 87.1 | Confident | 82.8 | Confident | 60 Ų | 60 | 62 Ų | 62 | 24% | 0.235 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 111 | 173.5 | -72.6 | -97.2 | 0 | 0 | 0 | 109.8 | Y647 Y662 Y663 A665 | Y647-Y654 HydrophobicContact CD2-CD1 4.14Å; Y647-Y654 AromaticContact CD2-CD2 3.95Å; Y647-Y654 HydrophobicContact CD2-CD2 3.95Å; Y647-Y654 AromaticContact CD2-CE1 3.87Å; Y647-Y654 HydrophobicContact CD2-CE1 3.87Å; Y647-Y654 AromaticContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CE2 3.65Å; Y647-Y654 HydrophobicContact CD2-CG 4.2Å; Y647-Y654 AromaticContact CD2-CZ 3.61Å; Y647-Y654 HydrophobicContact CE2-CD2 4.47Å; Y647-Y654 AromaticContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CE2-CE2 3.97Å; Y647-Y654 HydrophobicContact CG-CE1 4.28Å; Y654-Y662 CarbonylContact O-C 3.39Å; Y654-Y663 PolarHBondContact N-O 2.8Å; Y654-Y663 PolarHBondContact O-N 3.18Å; Y654-A665 HydrophobicContact CD2-CB 4Å; Y654-A665 HydrophobicContact CE2-CB 3.79Å |
| 655 | Y | 88.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 62.8 Ų | 62.8 | 9% | 0.086 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 130.9 | 177.3 | 175.7 | -105.8 | 0 | 0 | 0 | 111.7 | V634 Y637 Y646 P657 Q660 Y662 | V634-Y655 HydrophobicContact CG1-CD1 3.79Å; V634-Y655 HydrophobicContact CG1-CE1 3.47Å; V634-Y655 VanDerWaalsContact CG1-CE1 3.47Å; V634-Y655 HydrophobicContact CG2-CE1 4.23Å; Y637-Y655 HydrophobicContact CD2-CD1 4.04Å; Y637-Y655 HydrophobicContact CD2-CG 4.08Å; Y637-Y655 AromaticContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD1 3.97Å; Y637-Y655 HydrophobicContact CE2-CD2 4.4Å; Y637-Y655 AromaticContact CE2-CG 3.74Å; Y637-Y655 HydrophobicContact CE2-CG 3.74Å; Y646-Y655 PolarHBondContact N-O 3.34Å; Y646-Y655 PolarHBondContact O-N 3.38Å; Y655-P657 HydrophobicContact CD1-CG 4.22Å; Y655-P657 HydrophobicContact CE1-CB 4.1Å; Y655-P657 HydrophobicContact CE1-CG 4.02Å; Y655-Q660 HydrophobicContact CE2-CB 4.48Å; Y655-Y662 HydrophobicContact CD2-CD1 4.08Å; Y655-Y662 HydrophobicContact CD2-CD2 4.02Å; Y655-Y662 AromaticContact CD2-CE1 3.68Å; Y655-Y662 HydrophobicContact CD2-CE1 3.68Å; Y655-Y662 AromaticContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CG 4.23Å; Y655-Y662 AromaticContact CD2-CZ 3.41Å; Y655-Y662 VanDerWaalsContact CD2-CZ 3.41Å; Y655-Y662 AromaticContact CE2-CE2 3.92Å; Y655-Y662 HydrophobicContact CE2-CE2 3.92Å; Y655-Y662 AromaticContact CE2-CZ 3.93Å; Y655-Y662 HydrophobicContact CG-CE1 4.1Å |
| 656 | D | 85.6 | Confident | 82.5 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 16% | 0.16 | 34% | 0.342 | C | S | . | . | trans | -98.3 | 113.4 | 169 | 174.1 | 16.6 | 0 | 0 | 0 | 110.7 | Y645 N658 S659 Q660 Y661 | Y645-D656 HydrophobicContact CD1-CB 3.72Å; Y645-D656 HydrophobicContact CE1-CB 3.79Å; D656-N658 PolarHBondContact O-N 3.37Å; D656-N658 VanDerWaalsContact OD1-CB 3.29Å; D656-N658 WeakPolarHBondContact OD1-CB 3.36Å; D656-N658 PolarHBondContact OD1-N 2.8Å; D656-S659 WeakPolarHBondContact OD2-CB 3.4Å; D656-S659 PolarHBondContact OD2-N 3.2Å; D656-S659 PolarHBondContact OD2-OG 3.26Å; D656-Q660 VanDerWaalsContact O-CA 3.23Å; D656-Q660 WeakPolarHBondContact O-CA 3.32Å; D656-Q660 PolarHBondContact O-N 2.98Å; D656-Y661 PolarHBondContact N-O 3.06Å | ||
| 657 | P | 78.6 | Confident | 82 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 39% | 0.39 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.7 | 176.1 | -20.9 | 32.1 | 0 | 0 | 0 | 114.7 | Y646 Y655 | Y646-P657 HydrophobicContact CD2-CG 3.43Å; Y646-P657 VanDerWaalsContact CD2-CG 3.43Å; Y646-P657 HydrophobicContact CE2-CG 3.48Å; Y646-P657 VanDerWaalsContact CE2-CG 3.48Å; Y646-P657 HydrophobicContact CG-CG 4.41Å; Y655-P657 HydrophobicContact CD1-CG 4.22Å; Y655-P657 HydrophobicContact CE1-CB 4.1Å; Y655-P657 HydrophobicContact CE1-CG 4.02Å |
| 658 | N | 77.6 | Confident | 81.7 | Confident | 154 Ų | 154 | 68.9 Ų | 68.9 | 82% | 0.824 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -39 | -172.6 | -165.9 | 46.8 | 0 | 0 | 0 | 112.3 | D656 | D656-N658 PolarHBondContact O-N 3.37Å; D656-N658 VanDerWaalsContact OD1-CB 3.29Å; D656-N658 WeakPolarHBondContact OD1-CB 3.36Å; D656-N658 PolarHBondContact OD1-N 2.8Å |
| 659 | S | 80.3 | Confident | 81.5 | Confident | 50 Ų | 50 | 73.2 Ų | 73.2 | 35% | 0.35 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -13.9 | 174.7 | 71 | 0 | 0 | 0 | 0 | 115 | D656 Y661 | D656-S659 WeakPolarHBondContact OD2-CB 3.4Å; D656-S659 PolarHBondContact OD2-N 3.2Å; D656-S659 PolarHBondContact OD2-OG 3.26Å; S659-Y661 VanDerWaalsContact O-CD2 3.28Å; S659-Y661 WeakPolarHBondContact O-CD2 3.23Å; S659-Y661 WeakPolarHBondContact O-CE2 3.16Å; S659-Y661 PolarHBondContact O-N 3.13Å |
| 660 | Q | 80.4 | Confident | 82.1 | Confident | 132 Ų | 132 | 73.8 Ų | 73.8 | 62% | 0.617 | 37% | 0.373 | S | S | * | . | trans | 64.8 | 16.7 | -178.2 | -52.3 | -170.3 | -18.8 | 0 | 0 | 115.4 | Y655 D656 | Y655-Q660 HydrophobicContact CE2-CB 4.48Å; D656-Q660 VanDerWaalsContact O-CA 3.23Å; D656-Q660 WeakPolarHBondContact O-CA 3.32Å; D656-Q660 PolarHBondContact O-N 2.98Å | ||
| 661 | Y | 86.7 | Confident | 82.8 | Confident | 94 Ų | 94 | 67.4 Ų | 67.4 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | trans | -91.7 | 155.6 | 171.7 | -65.5 | -80.9 | 0 | 0 | 0 | 112.2 | D656 S659 L671 A683 | D656-Y661 PolarHBondContact N-O 3.06Å; S659-Y661 VanDerWaalsContact O-CD2 3.28Å; S659-Y661 WeakPolarHBondContact O-CD2 3.23Å; S659-Y661 WeakPolarHBondContact O-CE2 3.16Å; S659-Y661 PolarHBondContact O-N 3.13Å; Y661-L671 WeakPolarHBondContact CA-O 3.23Å; Y661-A683 HydrophobicContact CD1-CB 3.96Å; Y661-A683 HydrophobicContact CE1-CB 3.63Å | ||
| 662 | Y | 87.5 | Confident | 83.4 | Confident | 12 Ų | 12 | 70 Ų | 70 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 106.3 | 173.8 | -69.4 | -96.7 | 0 | 0 | 0 | 108.4 | Y637 L653 Y654 Y655 L671 W673 Y680 | Y637-Y662 AromaticContact CE2-CE1 3.81Å; Y637-Y662 HydrophobicContact CE2-CE1 3.81Å; Y637-Y662 AromaticContact CZ-CE1 3.83Å; Y637-Y662 WeakPolarHBondContact OH-CE1 3.46Å; Y637-Y662 PolarHBondContact OH-OH 3.03Å; L653-Y662 HydrophobicContact CB-CD1 4.19Å; L653-Y662 HydrophobicContact CD1-CD1 4.33Å; Y654-Y662 CarbonylContact O-C 3.39Å; Y655-Y662 HydrophobicContact CD2-CD1 4.08Å; Y655-Y662 HydrophobicContact CD2-CD2 4.02Å; Y655-Y662 AromaticContact CD2-CE1 3.68Å; Y655-Y662 HydrophobicContact CD2-CE1 3.68Å; Y655-Y662 AromaticContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CE2 3.61Å; Y655-Y662 HydrophobicContact CD2-CG 4.23Å; Y655-Y662 AromaticContact CD2-CZ 3.41Å; Y655-Y662 VanDerWaalsContact CD2-CZ 3.41Å; Y655-Y662 AromaticContact CE2-CE2 3.92Å; Y655-Y662 HydrophobicContact CE2-CE2 3.92Å; Y655-Y662 AromaticContact CE2-CZ 3.93Å; Y655-Y662 HydrophobicContact CG-CE1 4.1Å; Y662-L671 PolarHBondContact N-O 2.91Å; Y662-L671 WeakPolarHBondContact O-CD1 3.45Å; Y662-L671 PolarHBondContact O-N 2.89Å; Y662-W673 HydrophobicContact CD2-CB 4.47Å; Y662-W673 HydrophobicContact CE2-CB 3.95Å; Y662-Y680 HydrophobicContact CD1-CD1 4.32Å; Y662-Y680 AromaticContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD2-CD1 4.03Å; Y662-Y680 AromaticContact CD2-CE1 3.77Å; Y662-Y680 HydrophobicContact CD2-CE1 3.77Å; Y662-Y680 AromaticContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE2-CE1 4Å; Y662-Y680 AromaticContact CG-CD1 3.9Å; Y662-Y680 HydrophobicContact CG-CD1 3.9Å; Y662-Y680 AromaticContact CG-CE1 3.56Å; Y662-Y680 HydrophobicContact CG-CE1 3.56Å |
| 663 | Y | 88 | Confident | 83.6 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 24% | 0.239 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 121.7 | 177 | -178.4 | -105.1 | 0 | 0 | 0 | 110.8 | Y654 A665 Q668 Y670 | Y654-Y663 PolarHBondContact N-O 2.8Å; Y654-Y663 PolarHBondContact O-N 3.18Å; Y663-A665 HydrophobicContact CE1-CB 4.28Å; Y663-Q668 HydrophobicContact CE2-CB 4.5Å; Y663-Q668 WeakPolarHBondContact CE2-O 3.42Å; Y663-Y670 AromaticContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD2 4.2Å; Y663-Y670 AromaticContact CD2-CE1 3.67Å; Y663-Y670 HydrophobicContact CD2-CE1 3.67Å; Y663-Y670 AromaticContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CG 4.16Å; Y663-Y670 AromaticContact CD2-CZ 3.7Å; Y663-Y670 HydrophobicContact CE2-CE2 4.19Å; Y663-Y670 HydrophobicContact CG-CD1 4.47Å; Y663-Y670 HydrophobicContact CG-CE1 4.18Å |
| 664 | N | 86.4 | Confident | 83.4 | Confident | 39 Ų | 39 | 72.3 Ų | 72.3 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 106.8 | 172.1 | -175.1 | -29.9 | 0 | 0 | 0 | 109.5 | L653 Q666 S667 Q668 Q669 L671 | L653-N664 HydrophobicContact CD2-CB 3.53Å; N664-Q666 PolarHBondContact O-N 2.55Å; N664-Q666 VanDerWaalsContact O-N 3.16Å; N664-Q666 WeakPolarHBondContact OD1-CA 3.47Å; N664-Q666 WeakPolarHBondContact OD1-CB 3.19Å; N664-Q666 PolarHBondContact OD1-N 3.29Å; N664-S667 WeakPolarHBondContact CB-OG 3.49Å; N664-S667 PolarHBondContact O-N 2.99Å; N664-S667 PolarHBondContact OD1-N 3.16Å; N664-Q668 VanDerWaalsContact O-CA 3.26Å; N664-Q668 WeakPolarHBondContact O-CA 3.45Å; N664-Q668 PolarHBondContact O-N 3.34Å; N664-Q669 PolarHBondContact N-O 2.77Å; N664-L671 HydrophobicContact CB-CD1 3.67Å |
| 665 | A | 78.9 | Confident | 82.9 | Confident | 49 Ų | 49 | 72 Ų | 72 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y654 Y663 | Y654-A665 HydrophobicContact CD2-CB 4Å; Y654-A665 HydrophobicContact CE2-CB 3.79Å; Y663-A665 HydrophobicContact CE1-CB 4.28Å |
| 666 | Q | 77.3 | Confident | 82.3 | Confident | 178 Ų | 178 | 80 Ų | 80 | 83% | 0.832 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -38.3 | 178.4 | -54 | -177.2 | 8.7 | 0 | 0 | 112.5 | N664 | N664-Q666 PolarHBondContact O-N 2.55Å; N664-Q666 VanDerWaalsContact O-N 3.16Å; N664-Q666 WeakPolarHBondContact OD1-CA 3.47Å; N664-Q666 WeakPolarHBondContact OD1-CB 3.19Å; N664-Q666 PolarHBondContact OD1-N 3.29Å |
| 667 | S | 76.8 | Confident | 81.6 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 34% | 0.343 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -6.9 | 177.2 | 72.1 | 0 | 0 | 0 | 0 | 114.4 | N664 Q669 | N664-S667 WeakPolarHBondContact CB-OG 3.49Å; N664-S667 PolarHBondContact O-N 2.99Å; N664-S667 PolarHBondContact OD1-N 3.16Å; S667-Q669 PolarHBondContact O-N 3.46Å; S667-Q669 PolarHBondContact OG-OE1 2.84Å |
| 668 | Q | 79.9 | Confident | 81.7 | Confident | 146 Ų | 146 | 88.1 Ų | 88.1 | 68% | 0.682 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22.2 | -174 | -56.1 | -173.5 | 4.5 | 0 | 0 | 114.6 | Y663 N664 | Y663-Q668 HydrophobicContact CE2-CB 4.5Å; Y663-Q668 WeakPolarHBondContact CE2-O 3.42Å; N664-Q668 VanDerWaalsContact O-CA 3.26Å; N664-Q668 WeakPolarHBondContact O-CA 3.45Å; N664-Q668 PolarHBondContact O-N 3.34Å |
| 669 | Q | 82.7 | Confident | 82.1 | Confident | 98 Ų | 98 | 81.2 Ų | 81.2 | 46% | 0.458 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 141.9 | -179.1 | -70.2 | 162.2 | -22.8 | 0 | 0 | 111.2 | N664 S667 L671 | N664-Q669 PolarHBondContact N-O 2.77Å; S667-Q669 PolarHBondContact O-N 3.46Å; S667-Q669 PolarHBondContact OG-OE1 2.84Å; Q669-L671 HydrophobicContact CB-CD1 4.43Å; Q669-L671 WeakPolarHBondContact O-CD1 3.33Å |
| 670 | Y | 86 | Confident | 82.2 | Confident | 96 Ų | 96 | 79.9 Ų | 79.9 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 130.4 | 161 | -64.7 | -84.7 | 0 | 0 | 0 | 109.1 | Y663 A683 | Y663-Y670 AromaticContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD1 3.9Å; Y663-Y670 HydrophobicContact CD2-CD2 4.2Å; Y663-Y670 AromaticContact CD2-CE1 3.67Å; Y663-Y670 HydrophobicContact CD2-CE1 3.67Å; Y663-Y670 AromaticContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CE2 3.98Å; Y663-Y670 HydrophobicContact CD2-CG 4.16Å; Y663-Y670 AromaticContact CD2-CZ 3.7Å; Y663-Y670 HydrophobicContact CE2-CE2 4.19Å; Y663-Y670 HydrophobicContact CG-CD1 4.47Å; Y663-Y670 HydrophobicContact CG-CE1 4.18Å; Y670-A683 WeakPolarHBondContact O-CB 3.45Å; Y670-A683 PolarHBondContact O-N 2.83Å |
| 671 | L | 88.6 | Confident | 82.5 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 8% | 0.084 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.4 | 171.5 | -55.7 | 96.1 | 0 | 0 | 0 | 109 | L653 Y661 Y662 N664 Q669 V681 P682 | L653-L671 HydrophobicContact CD2-CD1 4.46Å; Y661-L671 WeakPolarHBondContact CA-O 3.23Å; Y662-L671 PolarHBondContact N-O 2.91Å; Y662-L671 WeakPolarHBondContact O-CD1 3.45Å; Y662-L671 PolarHBondContact O-N 2.89Å; N664-L671 HydrophobicContact CB-CD1 3.67Å; Q669-L671 HydrophobicContact CB-CD1 4.43Å; Q669-L671 WeakPolarHBondContact O-CD1 3.33Å; L671-V681 CarbonylContact C-O 3.55Å; L671-V681 VanDerWaalsContact CA-O 3.24Å; L671-V681 WeakPolarHBondContact CA-O 3.25Å; L671-V681 WeakPolarHBondContact CB-O 3.27Å; L671-P682 HydrophobicContact CD2-CG 4.14Å |
| 672 | Y | 87.9 | Confident | 82.5 | Confident | 96 Ų | 96 | 73.4 Ų | 73.4 | 38% | 0.376 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 153.9 | 166.4 | 67.4 | -82 | 0 | 0 | 0 | 109.7 | D674 Y680 V681 A683 | Y672-D674 HydrophobicContact CE2-CB 4.34Å; Y672-D674 PolarHBondContact O-N 2.98Å; Y672-Y680 WeakPolarHBondContact O-CA 3.49Å; Y672-V681 HydrophobicContact CD1-CB 4.33Å; Y672-V681 WeakPolarHBondContact CD1-O 3.44Å; Y672-V681 HydrophobicContact CE1-CB 3.76Å; Y672-V681 HydrophobicContact CE1-CG1 3.76Å; Y672-V681 HydrophobicContact CE2-CB 4.28Å; Y672-V681 PolarHBondContact N-O 2.97Å; Y672-V681 PolarHBondContact O-N 3.43Å; Y672-A683 HydrophobicContact CD1-CB 4.41Å |
| 673 | W | 85.1 | Confident | 81.8 | Confident | 52 Ų | 52 | 74.2 Ų | 74.2 | 20% | 0.197 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.2 | 174.3 | 177.1 | -109 | 0 | 0 | 0 | 110.4 | P630 P632 Y662 G675 R678 Y680 | P630-W673 WeakPolarHBondContact O-CH2 3.23Å; P632-W673 HydrophobicContact CG-CD2 3.67Å; P632-W673 HydrophobicContact CG-CE3 3.57Å; P632-W673 HydrophobicContact CG-CG 4.28Å; P632-W673 HydrophobicContact CG-CH2 4.02Å; P632-W673 HydrophobicContact CG-CZ2 4.15Å; P632-W673 HydrophobicContact CG-CZ3 3.75Å; Y662-W673 HydrophobicContact CD2-CB 4.47Å; Y662-W673 HydrophobicContact CE2-CB 3.95Å; W673-G675 PolarHBondContact O-N 3.08Å; W673-R678 HydrophobicContact CH2-CB 3.7Å; W673-R678 HydrophobicContact CH2-CG 4.45Å; W673-R678 WeakPolarHBondContact CH2-O 3.45Å; W673-R678 HydrophobicContact CZ2-CB 3.7Å; W673-R678 HydrophobicContact CZ2-CG 3.99Å; W673-Y680 AromaticContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD2 4.22Å; W673-Y680 AromaticContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE2 4.12Å; W673-Y680 HydrophobicContact CE3-CG 4.13Å; W673-Y680 AromaticContact CE3-CZ 3.92Å; W673-Y680 HydrophobicContact CZ3-CD2 4.17Å; W673-Y680 HydrophobicContact CZ3-CE1 4.43Å; W673-Y680 AromaticContact CZ3-CE2 3.98Å; W673-Y680 HydrophobicContact CZ3-CE2 3.98Å |
| 674 | D | 81.9 | Confident | 80.7 | Confident | 25 Ų | 25 | 79 Ų | 79 | 13% | 0.134 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 106.7 | 168.6 | -176.8 | -24.7 | 0 | 0 | 0 | 109 | Y672 E676 R677 R678 T679 V681 | Y672-D674 HydrophobicContact CE2-CB 4.34Å; Y672-D674 PolarHBondContact O-N 2.98Å; D674-E676 VanDerWaalsContact C-N 3.33Å; D674-E676 PolarHBondContact O-N 3.48Å; D674-E676 WeakPolarHBondContact OD1-CA 3.25Å; D674-E676 WeakPolarHBondContact OD1-CB 3.42Å; D674-E676 PolarHBondContact OD1-N 3.2Å; D674-R677 HydrophobicContact CB-CB 4.24Å; D674-R677 PolarHBondContact OD1-N 3.31Å; D674-R677 VanDerWaalsContact OD2-CD 3.27Å; D674-R677 WeakPolarHBondContact OD2-CD 3.11Å; D674-R677 WeakPolarHBondContact OD2-CG 3.27Å; D674-R678 VanDerWaalsContact O-CA 3.25Å; D674-R678 WeakPolarHBondContact O-CA 3.29Å; D674-R678 PolarHBondContact O-N 3.27Å; D674-T679 PolarHBondContact N-O 3.43Å; D674-T679 PolarHBondContact O-N 3.4Å; D674-V681 HydrophobicContact CB-CG2 3.78Å |
| 675 | G | 77.1 | Confident | 78.6 | Confident | 54 Ų | 54 | 85.1 Ų | 85.1 | 56% | 0.557 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -20.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | W673 | W673-G675 PolarHBondContact O-N 3.08Š|
| 676 | E | 75.4 | Confident | 76.7 | Confident | 189 Ų | 189 | 92.1 Ų | 92.1 | 88% | 0.883 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -38.7 | 175.7 | -64.3 | -175.3 | 180 | 0 | 0 | 110.7 | D674 | D674-E676 VanDerWaalsContact C-N 3.33Å; D674-E676 PolarHBondContact O-N 3.48Å; D674-E676 WeakPolarHBondContact OD1-CA 3.25Å; D674-E676 WeakPolarHBondContact OD1-CB 3.42Å; D674-E676 PolarHBondContact OD1-N 3.2Å |
| 677 | R | 71.1 | Confident | 74.6 | Confident | 140 Ų | 140 | 88.5 Ų | 88.5 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -22 | 179.7 | -64.9 | -175.5 | 169.8 | 162.5 | -9.1 | 114 | Q628 D674 | Q628-R677 PolarHBondContact NE2-O 2.84Å; D674-R677 HydrophobicContact CB-CB 4.24Å; D674-R677 PolarHBondContact OD1-N 3.31Å; D674-R677 VanDerWaalsContact OD2-CD 3.27Å; D674-R677 WeakPolarHBondContact OD2-CD 3.11Å; D674-R677 WeakPolarHBondContact OD2-CG 3.27Å |
| 678 | R | 81.1 | Confident | 72.6 | Confident | 120 Ų | 120 | 91.1 Ų | 91.1 | 45% | 0.453 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 53.7 | -168.3 | -62.1 | 179.6 | 178.9 | 172.2 | -2.6 | 112.3 | Q628 Y629 W673 D674 | Q628-R678 HydrophobicContact CG-CB 3.65Å; Y629-R678 PolarHBondContact N-O 2.84Å; W673-R678 HydrophobicContact CH2-CB 3.7Å; W673-R678 HydrophobicContact CH2-CG 4.45Å; W673-R678 WeakPolarHBondContact CH2-O 3.45Å; W673-R678 HydrophobicContact CZ2-CB 3.7Å; W673-R678 HydrophobicContact CZ2-CG 3.99Å; D674-R678 VanDerWaalsContact O-CA 3.25Å; D674-R678 WeakPolarHBondContact O-CA 3.29Å; D674-R678 PolarHBondContact O-N 3.27Å |
| 679 | T | 85.1 | Confident | 70.2 | Confident | 9 Ų | 9 | 92.1 Ų | 92.1 | 6% | 0.055 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.5 | -179.9 | -51.7 | 0 | 0 | 0 | 0 | 110 | Y626 S627 D674 V681 | Y626-T679 HydrophobicContact CD1-CG2 4.08Å; S627-T679 PolarHBondContact O-OG1 3.13Å; D674-T679 PolarHBondContact N-O 3.43Å; D674-T679 PolarHBondContact O-N 3.4Å; T679-V681 PolarHBondContact O-N 3.32Å |
| 680 | Y | 83.2 | Confident | 67.8 | Low | 22 Ų | 22 | 90.4 Ų | 90.4 | 9% | 0.086 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.1 | 169.2 | -60.8 | -79.3 | 0 | 0 | 0 | 110 | Y629 P632 T651 L653 Y662 Y672 W673 | Y629-Y680 HydrophobicContact CD2-CD2 4.26Å; Y629-Y680 HydrophobicContact CG-CD2 4.49Å; Y629-Y680 HydrophobicContact CG-CE2 4.37Å; P632-Y680 WeakPolarHBondContact CB-OH 3.36Å; P632-Y680 HydrophobicContact CG-CE1 4.13Å; P632-Y680 WeakPolarHBondContact CG-OH 3.26Å; T651-Y680 HydrophobicContact CG2-CE2 3.76Å; L653-Y680 HydrophobicContact CD1-CD1 3.72Å; L653-Y680 HydrophobicContact CD1-CD2 3.74Å; L653-Y680 HydrophobicContact CD1-CE1 3.7Å; L653-Y680 HydrophobicContact CD1-CE2 3.72Å; L653-Y680 HydrophobicContact CD1-CG 3.72Å; Y662-Y680 HydrophobicContact CD1-CD1 4.32Å; Y662-Y680 AromaticContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD1-CE1 3.56Å; Y662-Y680 HydrophobicContact CD2-CD1 4.03Å; Y662-Y680 AromaticContact CD2-CE1 3.77Å; Y662-Y680 HydrophobicContact CD2-CE1 3.77Å; Y662-Y680 AromaticContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE1-CE1 3.78Å; Y662-Y680 HydrophobicContact CE2-CE1 4Å; Y662-Y680 AromaticContact CG-CD1 3.9Å; Y662-Y680 HydrophobicContact CG-CD1 3.9Å; Y662-Y680 AromaticContact CG-CE1 3.56Å; Y662-Y680 HydrophobicContact CG-CE1 3.56Å; Y672-Y680 WeakPolarHBondContact O-CA 3.49Å; W673-Y680 AromaticContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD1 3.88Å; W673-Y680 HydrophobicContact CE3-CD2 4.22Å; W673-Y680 AromaticContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE1 3.75Å; W673-Y680 HydrophobicContact CE3-CE2 4.12Å; W673-Y680 HydrophobicContact CE3-CG 4.13Å; W673-Y680 AromaticContact CE3-CZ 3.92Å; W673-Y680 HydrophobicContact CZ3-CD2 4.17Å; W673-Y680 HydrophobicContact CZ3-CE1 4.43Å; W673-Y680 AromaticContact CZ3-CE2 3.98Å; W673-Y680 HydrophobicContact CZ3-CE2 3.98Å |
| 681 | V | 86.4 | Confident | 65.4 | Low | 26 Ų | 26 | 90 Ų | 90 | 16% | 0.158 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129.3 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | L671 Y672 D674 T679 A683 | L671-V681 CarbonylContact C-O 3.55Å; L671-V681 VanDerWaalsContact CA-O 3.24Å; L671-V681 WeakPolarHBondContact CA-O 3.25Å; L671-V681 WeakPolarHBondContact CB-O 3.27Å; Y672-V681 HydrophobicContact CD1-CB 4.33Å; Y672-V681 WeakPolarHBondContact CD1-O 3.44Å; Y672-V681 HydrophobicContact CE1-CB 3.76Å; Y672-V681 HydrophobicContact CE1-CG1 3.76Å; Y672-V681 HydrophobicContact CE2-CB 4.28Å; Y672-V681 PolarHBondContact N-O 2.97Å; Y672-V681 PolarHBondContact O-N 3.43Å; D674-V681 HydrophobicContact CB-CG2 3.78Å; T679-V681 PolarHBondContact O-N 3.32Å; V681-A683 PolarHBondContact O-N 2.85Å |
| 682 | P | 85.2 | Confident | 62.5 | Low | 65 Ų | 65 | 96.7 Ų | 96.7 | 42% | 0.422 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 130.9 | 176.4 | -26.6 | 35.5 | 0 | 0 | 0 | 112.4 | L671 | L671-P682 HydrophobicContact CD2-CG 4.14Å |
| 683 | A | 73.9 | Confident | 59.8 | Low | 28 Ų | 28 | 97.8 Ų | 97.8 | 23% | 0.231 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 121.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y661 Y670 Y672 V681 E685 | Y661-A683 HydrophobicContact CD1-CB 3.96Å; Y661-A683 HydrophobicContact CE1-CB 3.63Å; Y670-A683 WeakPolarHBondContact O-CB 3.45Å; Y670-A683 PolarHBondContact O-N 2.83Å; Y672-A683 HydrophobicContact CD1-CB 4.41Å; V681-A683 PolarHBondContact O-N 2.85Å; A683-E685 PolarHBondContact O-N 2.98Å |
| 684 | L | 64.6 | Low | 57 | Low | 161 Ų | 161 | 101.1 Ų | 101.1 | 84% | 0.843 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 117.8 | 171.6 | -90.1 | 75.6 | 0 | 0 | 0 | 109.2 | Q686 | L684-Q686 PolarHBondContact O-N 2.78Š|
| 685 | E | 42.4 | Very low | 54.4 | Low | 168 Ų | 168 | 103.7 Ų | 103.7 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 128 | 169 | -73.4 | -170.1 | 113.5 | 0 | 0 | 110.7 | A683 S687 | A683-E685 PolarHBondContact O-N 2.98Å; E685-S687 VanDerWaalsContact C-N 3.28Å; E685-S687 PolarHBondContact O-N 3.45Å; E685-S687 VanDerWaalsContact O-N 3.12Å |
| 686 | Q | 38.7 | Very low | 52.2 | Low | 197 Ų | 197 | 106 Ų | 106 | 92% | 0.921 | 60% | 0.596 | S | S | * | * | trans | -84.8 | 74.7 | 167.1 | -68.1 | -171.2 | 4.2 | 0 | 0 | 109.6 | L684 A688 | L684-Q686 PolarHBondContact O-N 2.78Å; Q686-A688 PolarHBondContact O-N 3.45Å | ||
| 687 | S | 33.6 | Very low | 50.3 | Low | 102 Ų | 102 | 103 Ų | 103 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | trans | -65.4 | 119.3 | 172.9 | 60.7 | 0 | 0 | 0 | 0 | 110.7 | E685 D689 | E685-S687 VanDerWaalsContact C-N 3.28Å; E685-S687 PolarHBondContact O-N 3.45Å; E685-S687 VanDerWaalsContact O-N 3.12Å; S687-D689 PolarHBondContact O-N 3.43Å | ||
| 688 | A | 33.9 | Very low | 48.2 | Very low | 103 Ų | 103 | 102.1 Ų | 102.1 | 85% | 0.851 | 61% | 0.609 | S | S | * | * | trans | -85.5 | 89.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q686 | Q686-A688 PolarHBondContact O-N 3.45Š| ||
| 689 | D | 31.1 | Very low | 45.8 | Very low | 167 Ų | 167 | 105.6 Ų | 105.6 | 89% | 0.893 | 63% | 0.627 | S | S | * | * | trans | -169 | 164.4 | 142.7 | -121 | -30.9 | 0 | 0 | 0 | 109.7 | S687 | S687-D689 PolarHBondContact O-N 3.43Š| ||
| 690 | G | 31.5 | Very low | 43.1 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | trans | -153.4 | 135.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 691 | H | 34.7 | Very low | 41.1 | Very low | 86 Ų | 86 | 117 Ų | 117 | 40% | 0.398 | 70% | 0.701 | S | S | . | * | trans | -146.6 | 157.2 | 147.8 | -146.8 | -84.6 | 0 | 0 | 0 | 114.5 | R74 D76 | R74-H691 WeakPolarHBondContact CA-CE1 3.47Å; R74-H691 PolarHBondContact N-CE1 3.32Å; R74-H691 PolarHBondContact N-NE2 2.79Å; D76-H691 WeakPolarHBondContact OD1-CB 3.42Å | ||
| 692 | K | 29.4 | Very low | 38.4 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 68% | 0.683 | 74% | 0.735 | S | S | * | * | trans | -78 | 152.8 | -178.4 | -56.4 | 166.7 | 176.2 | 171.3 | 0 | 113.1 | ||||
| 693 | E | 29.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 56% | 0.556 | 75% | 0.754 | S | S | * | * | -153.8 | 106.7 | 107.8 | -77.4 | -130.3 | -146.3 | 0 | 0 | 110.2 | R74 | R74-E693 IonicContact CZ-OE1 2.76Å; R74-E693 IonicContact NE-OE1 2.79Å; R74-E693 PolarHBondContact NE-OE1 3.46Å; R74-E693 IonicContact NH2-OE1 2.77Å; R74-E693 PolarHBondContact NH2-OE1 3.22Å | |||
| 694 | T | 26.7 | Very low | 34.1 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 76.9 | 107.4 | 106.5 | 61.7 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 695 | G | 26.8 | Very low | 32.4 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -175.2 | 131.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 696 | A | 31.8 | Very low | 32.1 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -167.7 | 168.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 697 | P | 36.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -127.6 | 173.1 | -18 | 37.5 | -22.6 | 0 | 0 | 0 | 113.3 | ||||
| 698 | S | 26.8 | Very low | 32 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -147.9 | 156 | 146.9 | 49.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 699 | K | 30.3 | Very low | 32.2 | Very low | 192 Ų | 192 | 149 Ų | 149 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | trans | -89.7 | 144.7 | -178 | -63.2 | 174.3 | 177 | 177 | 0 | 109.9 | ||||
| 700 | E | 28.5 | Very low | 33.1 | Very low | 195 Ų | 195 | 147.6 Ų | 147.6 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | -171.1 | 167.6 | 101 | -100.1 | 168.9 | -167.9 | 0 | 0 | 111.2 | |||||
| 701 | G | 40.8 | Very low | 34.5 | Very low | 77 Ų | 77 | 149.6 Ų | 149.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -87.1 | 161.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 702 | K | 30.4 | Very low | 36.2 | Very low | 200 Ų | 200 | 150 Ų | 150 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -151.3 | 154.1 | 163.5 | -147.4 | 163 | -171.1 | 172.3 | 0 | 112.8 | ||||
| 703 | E | 32.3 | Very low | 37.4 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -79.3 | 170 | -167.2 | -57.6 | 122.3 | 121.4 | 0 | 0 | 115.1 | ||||
| 704 | K | 35.1 | Very low | 39.1 | Very low | 213 Ų | 213 | 148.3 Ų | 148.3 | 93% | 0.926 | 79% | 0.794 | S | S | * | * | trans | -72 | 125.1 | 177.8 | -56 | 170.9 | -176.4 | 172.3 | 0 | 111 | ||||
| 705 | K | 30.2 | Very low | 40.8 | Very low | 195 Ų | 195 | 147.7 Ų | 147.7 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | -151.5 | 78.3 | 141.4 | -154.1 | 157.5 | -170.6 | 168.7 | 0 | 114.1 | ||||
| 706 | E | 36.2 | Very low | 43 | Very low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | 28.8 | 114.6 | 133.2 | -169.6 | 166.4 | -134.1 | 0 | 0 | 119.1 | ||||
| 707 | K | 32.4 | Very low | 44.7 | Very low | 201 Ų | 201 | 145.9 Ų | 145.9 | 87% | 0.874 | 75% | 0.748 | S | S | * | * | trans | -122.6 | 151.8 | 148.2 | -78.9 | -171.5 | 176.6 | -179.6 | 0 | 109.8 | ||||
| 708 | H | 37.2 | Very low | 46.9 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126 | -156.8 | -152 | -104.4 | 0 | 0 | 0 | 113.4 | ||
| 709 | K | 38.9 | Very low | 48.9 | Very low | 188 Ų | 188 | 144 Ų | 144 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 140.5 | 167.1 | -67.5 | 179.4 | -178.5 | 175.6 | 0 | 109.4 | K711 | K709-K711 PolarHBondContact O-N 2.88Š|
| 710 | T | 50.3 | Low | 50.6 | Low | 136 Ų | 136 | 140.5 Ų | 140.5 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.7 | 172.8 | 34.3 | 0 | 0 | 0 | 0 | 110.1 | T712 | T710-T712 PolarHBondContact O-N 2.93Š|
| 711 | K | 59 | Low | 53 | Low | 106 Ų | 106 | 135.7 Ų | 135.7 | 46% | 0.461 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 122.8 | 178.7 | -76.2 | -175.9 | 172.7 | -177.2 | 0 | 109.8 | K709 I716 D719 | K709-K711 PolarHBondContact O-N 2.88Å; K711-I716 HydrophobicContact CB-CG1 4.2Å; K711-D719 IonicContact NZ-OD2 3.94Å; K711-D719 PolarHBondContact NZ-OD2 3.45Å |
| 712 | T | 71.6 | Confident | 54.6 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 58% | 0.577 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 146.7 | 175 | -46.7 | 0 | 0 | 0 | 0 | 110.6 | T710 Q714 Q715 I716 | T710-T712 PolarHBondContact O-N 2.93Å; T712-Q714 PolarHBondContact O-N 3.46Å; T712-Q714 VanDerWaalsContact O-N 3.09Å; T712-Q715 WeakPolarHBondContact O-CA 3.33Å; T712-Q715 WeakPolarHBondContact O-CB 3.49Å; T712-Q715 PolarHBondContact O-N 3.48Å; T712-I716 PolarHBondContact O-N 3.29Å |
| 713 | A | 55.1 | Low | 56.1 | Low | 77 Ų | 77 | 138.3 Ų | 138.3 | 64% | 0.636 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -53.9 | -34.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q715 I716 A717 | A713-Q715 VanDerWaalsContact C-N 3.31Å; A713-Q715 PolarHBondContact O-N 2.97Å; A713-I716 PolarHBondContact O-N 3.21Å; A713-A717 PolarHBondContact O-N 2.87Å |
| 714 | Q | 65.8 | Low | 58 | Low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -35.2 | 171.8 | -81.7 | -178.4 | -33.9 | 0 | 0 | 113.5 | T712 A717 K718 | T712-Q714 PolarHBondContact O-N 3.46Å; T712-Q714 VanDerWaalsContact O-N 3.09Å; Q714-A717 PolarHBondContact O-N 3.37Å; Q714-K718 WeakPolarHBondContact O-CB 3.42Å; Q714-K718 PolarHBondContact O-N 2.86Å |
| 715 | Q | 61.8 | Low | 59.8 | Low | 108 Ų | 108 | 130.1 Ų | 130.1 | 51% | 0.505 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -73.5 | -34 | 177.9 | -163.4 | 170.4 | 12.9 | 0 | 0 | 111 | T712 A713 K718 D719 | T712-Q715 WeakPolarHBondContact O-CA 3.33Å; T712-Q715 WeakPolarHBondContact O-CB 3.49Å; T712-Q715 PolarHBondContact O-N 3.48Å; A713-Q715 VanDerWaalsContact C-N 3.31Å; A713-Q715 PolarHBondContact O-N 2.97Å; Q715-K718 PolarHBondContact O-N 3.39Å; Q715-D719 WeakPolarHBondContact O-CB 3.41Å; Q715-D719 PolarHBondContact O-N 2.95Å |
| 716 | I | 71.8 | Confident | 62.2 | Low | 86 Ų | 86 | 123.7 Ų | 123.7 | 44% | 0.441 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.1 | -46.3 | 170.1 | -57.4 | 176.3 | 0 | 0 | 0 | 110.2 | K711 T712 A713 K718 D719 M720 | K711-I716 HydrophobicContact CB-CG1 4.2Å; T712-I716 PolarHBondContact O-N 3.29Å; A713-I716 PolarHBondContact O-N 3.21Å; I716-K718 VanDerWaalsContact C-N 3.32Å; I716-K718 PolarHBondContact O-N 3.42Å; I716-D719 WeakPolarHBondContact O-CB 3.49Å; I716-D719 PolarHBondContact O-N 3.45Å; I716-M720 HydrophobicContact CG2-SD 4.25Å; I716-M720 WeakPolarHBondContact O-CG 3.32Å; I716-M720 PolarHBondContact O-N 2.83Å |
| 717 | A | 68.5 | Low | 64 | Low | 58 Ų | 58 | 119.9 Ų | 119.9 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.1 | -39.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A713 Q714 M720 E721 | A713-A717 PolarHBondContact O-N 2.87Å; Q714-A717 PolarHBondContact O-N 3.37Å; A717-M720 PolarHBondContact O-N 3.43Å; A717-E721 PolarHBondContact O-N 3.26Å |
| 718 | K | 82.1 | Confident | 66.1 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.9 | -31.4 | 177.4 | -157.5 | 170.5 | -172.7 | 178.6 | 0 | 113 | Q714 Q715 I716 R722 | Q714-K718 WeakPolarHBondContact O-CB 3.42Å; Q714-K718 PolarHBondContact O-N 2.86Å; Q715-K718 PolarHBondContact O-N 3.39Å; I716-K718 VanDerWaalsContact C-N 3.32Å; I716-K718 PolarHBondContact O-N 3.42Å; K718-R722 WeakPolarHBondContact O-CB 3.39Å; K718-R722 WeakPolarHBondContact O-CG 3.43Å; K718-R722 PolarHBondContact O-N 2.79Å |
| 719 | D | 69.1 | Low | 67.8 | Low | 76 Ų | 76 | 113.8 Ų | 113.8 | 41% | 0.406 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.6 | -47.6 | 167.1 | -109.7 | -24.8 | 0 | 0 | 0 | 110.4 | K711 Q715 I716 E721 R722 W723 | K711-D719 IonicContact NZ-OD2 3.94Å; K711-D719 PolarHBondContact NZ-OD2 3.45Å; Q715-D719 WeakPolarHBondContact O-CB 3.41Å; Q715-D719 PolarHBondContact O-N 2.95Å; I716-D719 WeakPolarHBondContact O-CB 3.49Å; I716-D719 PolarHBondContact O-N 3.45Å; D719-E721 VanDerWaalsContact C-N 3.33Å; D719-E721 PolarHBondContact O-N 2.94Å; D719-R722 PolarHBondContact O-N 2.99Å; D719-W723 VanDerWaalsContact O-CB 3.25Å; D719-W723 WeakPolarHBondContact O-CB 3.4Å; D719-W723 PolarHBondContact O-N 3.09Å |
| 720 | M | 65.4 | Low | 69.1 | Low | 118 Ų | 118 | 110 Ų | 110 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.4 | -38.1 | 177.6 | -70.9 | 177.1 | 71.4 | 0 | 0 | 112.3 | I716 A717 W723 A724 | I716-M720 HydrophobicContact CG2-SD 4.25Å; I716-M720 WeakPolarHBondContact O-CG 3.32Å; I716-M720 PolarHBondContact O-N 2.83Å; A717-M720 PolarHBondContact O-N 3.43Å; M720-W723 PolarHBondContact O-N 3.14Å; M720-A724 WeakPolarHBondContact O-CB 3.24Å; M720-A724 PolarHBondContact O-N 3.08Å |
| 721 | E | 78.6 | Confident | 70.1 | Confident | 94 Ų | 94 | 109.9 Ų | 109.9 | 44% | 0.439 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 175.4 | -158.9 | -159.6 | 149.6 | 0 | 0 | 112 | A717 D719 W723 A724 R725 | A717-E721 PolarHBondContact O-N 3.26Å; D719-E721 VanDerWaalsContact C-N 3.33Å; D719-E721 PolarHBondContact O-N 2.94Å; E721-W723 VanDerWaalsContact C-N 3.31Å; E721-W723 PolarHBondContact O-N 2.95Å; E721-A724 PolarHBondContact O-N 3.27Å; E721-R725 WeakPolarHBondContact O-CB 3.3Å; E721-R725 WeakPolarHBondContact O-CG 3.48Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 IonicContact OE1-CZ 3.2Å; E721-R725 IonicContact OE1-NE 3.95Å; E721-R725 PolarHBondContact OE1-NE 2.86Å; E721-R725 IonicContact OE1-NH2 2.72Å; E721-R725 PolarHBondContact OE1-NH2 3.1Å |
| 722 | R | 75.3 | Confident | 70.3 | Confident | 176 Ų | 176 | 108.8 Ų | 108.8 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 173.4 | -77.7 | -173.8 | 176.6 | -97.6 | 9.2 | 111.5 | K718 D719 R725 S726 | K718-R722 WeakPolarHBondContact O-CB 3.39Å; K718-R722 WeakPolarHBondContact O-CG 3.43Å; K718-R722 PolarHBondContact O-N 2.79Å; D719-R722 PolarHBondContact O-N 2.99Å; R722-R725 PolarHBondContact O-N 2.92Å; R722-S726 VanDerWaalsContact O-CB 3.27Å; R722-S726 WeakPolarHBondContact O-CB 3.28Å; R722-S726 PolarHBondContact O-N 3.46Å |
| 723 | W | 61 | Low | 69.7 | Low | 157 Ų | 157 | 109.3 Ų | 109.3 | 60% | 0.595 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.2 | -45.9 | 175.3 | -176.4 | 62.3 | 0 | 0 | 0 | 111.8 | D719 M720 E721 R725 S726 L727 | D719-W723 VanDerWaalsContact O-CB 3.25Å; D719-W723 WeakPolarHBondContact O-CB 3.4Å; D719-W723 PolarHBondContact O-N 3.09Å; M720-W723 PolarHBondContact O-N 3.14Å; E721-W723 VanDerWaalsContact C-N 3.31Å; E721-W723 PolarHBondContact O-N 2.95Å; W723-R725 PolarHBondContact O-N 3.26Å; W723-S726 PolarHBondContact O-N 3.28Å; W723-L727 WeakPolarHBondContact O-CB 3.32Å; W723-L727 PolarHBondContact O-N 3.04Å |
| 724 | A | 73.6 | Confident | 69.5 | Low | 45 Ų | 45 | 112.7 Ų | 112.7 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M720 E721 L727 N728 | M720-A724 WeakPolarHBondContact O-CB 3.24Å; M720-A724 PolarHBondContact O-N 3.08Å; E721-A724 PolarHBondContact O-N 3.27Å; A724-L727 PolarHBondContact O-N 2.64Å; A724-N728 PolarHBondContact O-N 3.36Å |
| 725 | R | 72.4 | Confident | 69.1 | Low | 168 Ų | 168 | 110.7 Ų | 110.7 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 174.1 | -70.1 | 172.4 | -177.9 | -95.2 | 5.3 | 111.8 | E721 R722 W723 N728 K729 | E721-R725 WeakPolarHBondContact O-CB 3.3Å; E721-R725 WeakPolarHBondContact O-CG 3.48Å; E721-R725 PolarHBondContact O-N 2.88Å; E721-R725 IonicContact OE1-CZ 3.2Å; E721-R725 IonicContact OE1-NE 3.95Å; E721-R725 PolarHBondContact OE1-NE 2.86Å; E721-R725 IonicContact OE1-NH2 2.72Å; E721-R725 PolarHBondContact OE1-NH2 3.1Å; R722-R725 PolarHBondContact O-N 2.92Å; W723-R725 PolarHBondContact O-N 3.26Å; R725-N728 PolarHBondContact O-N 3.31Å; R725-K729 PolarHBondContact O-N 3.25Å |
| 726 | S | 79.8 | Confident | 68.3 | Low | 60 Ų | 60 | 111.4 Ų | 111.4 | 42% | 0.42 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 176.1 | -171.4 | 0 | 0 | 0 | 0 | 112.8 | R722 W723 K729 Q730 | R722-S726 VanDerWaalsContact O-CB 3.27Å; R722-S726 WeakPolarHBondContact O-CB 3.28Å; R722-S726 PolarHBondContact O-N 3.46Å; W723-S726 PolarHBondContact O-N 3.28Å; S726-K729 PolarHBondContact O-N 3.17Å; S726-Q730 PolarHBondContact O-N 3.05Å |
| 727 | L | 73.8 | Confident | 67.1 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 174.2 | -169.7 | 77.4 | 0 | 0 | 0 | 111 | W723 A724 Q730 K731 | W723-L727 WeakPolarHBondContact O-CB 3.32Å; W723-L727 PolarHBondContact O-N 3.04Å; A724-L727 PolarHBondContact O-N 2.64Å; L727-Q730 PolarHBondContact O-N 2.8Å; L727-K731 WeakPolarHBondContact O-CB 3.46Å; L727-K731 PolarHBondContact O-N 2.84Å |
| 728 | N | 77.1 | Confident | 65.7 | Low | 96 Ų | 96 | 116.5 Ų | 116.5 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | 174.4 | -75.4 | -19.2 | 0 | 0 | 0 | 112 | A724 R725 Q730 K731 E732 | A724-N728 PolarHBondContact O-N 3.36Å; R725-N728 PolarHBondContact O-N 3.31Å; N728-Q730 VanDerWaalsContact C-N 3.33Å; N728-Q730 PolarHBondContact O-N 2.84Å; N728-K731 PolarHBondContact O-N 3.36Å; N728-K731 VanDerWaalsContact O-N 3.11Å; N728-E732 PolarHBondContact O-N 2.66Å |
| 729 | K | 73.9 | Confident | 63.7 | Low | 151 Ų | 151 | 117.5 Ų | 117.5 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -40.7 | 172.4 | -167.4 | 173.3 | -177.5 | 177.1 | 0 | 111.5 | R725 S726 N733 | R725-K729 PolarHBondContact O-N 3.25Å; S726-K729 PolarHBondContact O-N 3.17Å; K729-N733 WeakPolarHBondContact O-CB 3.36Å; K729-N733 PolarHBondContact O-N 3.02Å; K729-N733 PolarHBondContact O-OD1 2.98Å; K729-N733 VanDerWaalsContact O-OD1 3.13Å |
| 730 | Q | 64.8 | Low | 62 | Low | 110 Ų | 110 | 119 Ų | 119 | 51% | 0.514 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.8 | -37.5 | 171.9 | -75.3 | -162.8 | 20.2 | 0 | 0 | 112.9 | S726 L727 N728 N733 F734 | S726-Q730 PolarHBondContact O-N 3.05Å; L727-Q730 PolarHBondContact O-N 2.8Å; N728-Q730 VanDerWaalsContact C-N 3.33Å; N728-Q730 PolarHBondContact O-N 2.84Å; Q730-N733 PolarHBondContact O-N 3.28Å; Q730-F734 WeakPolarHBondContact O-CB 3.42Å; Q730-F734 PolarHBondContact O-N 3.07Å |
| 731 | K | 72.1 | Confident | 60.6 | Low | 133 Ų | 133 | 121.6 Ų | 121.6 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.3 | -41.8 | 178.4 | -167.3 | 174.1 | -177.7 | 178.9 | 0 | 112.2 | L727 N728 F734 K735 | L727-K731 WeakPolarHBondContact O-CB 3.46Å; L727-K731 PolarHBondContact O-N 2.84Å; N728-K731 PolarHBondContact O-N 3.36Å; N728-K731 VanDerWaalsContact O-N 3.11Å; K731-F734 PolarHBondContact O-N 3.43Å; K731-K735 PolarHBondContact O-N 3.11Å |
| 732 | E | 63.1 | Low | 58.5 | Low | 83 Ų | 83 | 122.3 Ų | 122.3 | 39% | 0.388 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -73.3 | -34.6 | 174.7 | -61.9 | -49.7 | 120 | 0 | 0 | 112.4 | N728 F734 K735 N736 | N728-E732 PolarHBondContact O-N 2.66Å; E732-F734 VanDerWaalsContact C-N 3.3Å; E732-F734 PolarHBondContact O-N 2.87Å; E732-K735 VanDerWaalsContact CD-NZ 3.31Å; E732-K735 PolarHBondContact O-N 2.71Å; E732-K735 WeakPolarHBondContact OE1-CE 3.31Å; E732-K735 IonicContact OE1-NZ 3.85Å; E732-K735 PolarHBondContact OE1-NZ 2.9Å; E732-K735 VanDerWaalsContact OE2-CD 3.31Å; E732-K735 WeakPolarHBondContact OE2-CD 3.34Å; E732-K735 IonicContact OE2-NZ 2.68Å; E732-K735 PolarHBondContact OE2-NZ 2.92Å; E732-K735 VanDerWaalsContact OE2-NZ 3.09Å; E732-N736 PolarHBondContact O-N 2.59Å; E732-N736 PolarHBondContact O-ND2 2.9Å |
| 733 | N | 57.9 | Low | 56.5 | Low | 104 Ų | 104 | 119 Ų | 119 | 56% | 0.556 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -64 | -34.9 | 168.9 | -78.6 | 31.1 | 0 | 0 | 0 | 112.1 | K729 Q730 N736 S737 | K729-N733 WeakPolarHBondContact O-CB 3.36Å; K729-N733 PolarHBondContact O-N 3.02Å; K729-N733 PolarHBondContact O-OD1 2.98Å; K729-N733 VanDerWaalsContact O-OD1 3.13Å; Q730-N733 PolarHBondContact O-N 3.28Å; N733-N736 PolarHBondContact O-N 3.27Å; N733-S737 WeakPolarHBondContact O-CB 3.39Å; N733-S737 PolarHBondContact O-N 3.1Å |
| 734 | F | 52.4 | Low | 55.1 | Low | 148 Ų | 148 | 119.8 Ų | 119.8 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.5 | -37.7 | 178 | -157 | -91.6 | 0 | 0 | 0 | 111.9 | Q730 K731 E732 S737 F738 | Q730-F734 WeakPolarHBondContact O-CB 3.42Å; Q730-F734 PolarHBondContact O-N 3.07Å; K731-F734 PolarHBondContact O-N 3.43Å; E732-F734 VanDerWaalsContact C-N 3.3Å; E732-F734 PolarHBondContact O-N 2.87Å; F734-S737 WeakPolarHBondContact O-CB 3.44Å; F734-S737 PolarHBondContact O-N 2.88Å; F734-F738 HydrophobicContact CE1-CE2 4.42Å |
| 735 | K | 57.3 | Low | 53.3 | Low | 123 Ų | 123 | 128.8 Ų | 128.8 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -61.7 | -48.2 | 168.6 | -74 | 171.6 | 175 | 172.2 | 0 | 112.1 | K731 E732 S737 F738 | K731-K735 PolarHBondContact O-N 3.11Å; E732-K735 VanDerWaalsContact CD-NZ 3.31Å; E732-K735 PolarHBondContact O-N 2.71Å; E732-K735 WeakPolarHBondContact OE1-CE 3.31Å; E732-K735 IonicContact OE1-NZ 3.85Å; E732-K735 PolarHBondContact OE1-NZ 2.9Å; E732-K735 VanDerWaalsContact OE2-CD 3.31Å; E732-K735 WeakPolarHBondContact OE2-CD 3.34Å; E732-K735 IonicContact OE2-NZ 2.68Å; E732-K735 PolarHBondContact OE2-NZ 2.92Å; E732-K735 VanDerWaalsContact OE2-NZ 3.09Å; K735-S737 PolarHBondContact O-N 3.37Å; K735-F738 PolarHBondContact O-N 3.06Å; K735-F738 VanDerWaalsContact O-N 3.08Å |
| 736 | N | 44.7 | Very low | 51.3 | Low | 123 Ų | 123 | 128.4 Ų | 128.4 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.5 | -19.7 | 177.2 | -79.9 | -78 | 0 | 0 | 0 | 113.3 | E732 N733 F738 | E732-N736 PolarHBondContact O-N 2.59Å; E732-N736 PolarHBondContact O-ND2 2.9Å; N733-N736 PolarHBondContact O-N 3.27Å; N736-F738 VanDerWaalsContact C-N 3.29Å; N736-F738 PolarHBondContact O-N 2.93Å |
| 737 | S | 45.3 | Very low | 48.9 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -6.3 | 174.5 | -169 | 0 | 0 | 0 | 0 | 114.1 | N733 F734 K735 | N733-S737 WeakPolarHBondContact O-CB 3.39Å; N733-S737 PolarHBondContact O-N 3.1Å; F734-S737 WeakPolarHBondContact O-CB 3.44Å; F734-S737 PolarHBondContact O-N 2.88Å; K735-S737 PolarHBondContact O-N 3.37Å |
| 738 | F | 39.6 | Very low | 47.2 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | trans | -106.8 | 87 | 171.6 | -94.3 | -91.6 | 0 | 0 | 0 | 110.6 | F734 K735 N736 | F734-F738 HydrophobicContact CE1-CE2 4.42Å; K735-F738 PolarHBondContact O-N 3.06Å; K735-F738 VanDerWaalsContact O-N 3.08Å; N736-F738 VanDerWaalsContact C-N 3.29Å; N736-F738 PolarHBondContact O-N 2.93Å | ||
| 739 | Q | 41.3 | Very low | 45.1 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | trans | -130.7 | 134.5 | 163.6 | -71.6 | -64.3 | -66.4 | 0 | 0 | 108.4 | ||||
| 740 | P | 32.8 | Very low | 43.2 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | -75.4 | 128.7 | -176 | 29.7 | -33.8 | 0 | 0 | 0 | 111.9 | S742 | P740-S742 PolarHBondContact O-N 2.69Å; P740-S742 VanDerWaalsContact O-N 3.16Å | ||
| 741 | I | 34.8 | Very low | 41.7 | Very low | 171 Ų | 171 | 151.3 Ų | 151.3 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | trans | -82.9 | 92.5 | 177.4 | -59.7 | 164.4 | 0 | 0 | 0 | 109.5 | ||||
| 742 | S | 34.9 | Very low | 40.2 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | trans | -138.3 | 41.3 | -178.8 | -62.3 | 0 | 0 | 0 | 0 | 113.5 | P740 | P740-S742 PolarHBondContact O-N 2.69Å; P740-S742 VanDerWaalsContact O-N 3.16Å | ||
| 743 | S | 33.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | trans | -156.8 | 42.1 | -172.5 | 53 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 744 | L | 32 | Very low | 37.5 | Very low | 174 Ų | 174 | 152.5 Ų | 152.5 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -143.9 | 75.5 | 162.7 | -83.6 | -172.7 | 0 | 0 | 0 | 113.6 | ||||
| 745 | R | 35.7 | Very low | 36.5 | Very low | 233 Ų | 233 | 150 Ų | 150 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -142.6 | 168.1 | 146.9 | -77.2 | -158.6 | 169.8 | -164.7 | -4.8 | 108.6 | ||||
| 746 | D | 30.1 | Very low | 35.4 | Very low | 161 Ų | 161 | 152.3 Ų | 152.3 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | 70.6 | 68.4 | 173.4 | -52.7 | -52.8 | 0 | 0 | 0 | 117.2 | ||||
| 747 | D | 29.6 | Very low | 34.8 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | -133.2 | 42.9 | 152.7 | -160.1 | 2.7 | 0 | 0 | 0 | 111.1 | ||||
| 748 | E | 37.5 | Very low | 34.2 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 91% | 0.907 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.3 | 32.1 | 178.2 | -148.2 | 176.1 | 165.8 | 0 | 0 | 112.9 | ||
| 749 | R | 33.2 | Very low | 34 | Very low | 236 Ų | 236 | 151.5 Ų | 151.5 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | trans | -141 | 67.8 | 168.1 | -170.9 | 166.5 | -72.5 | -147.1 | -2.8 | 111.3 | ||||
| 750 | R | 34.9 | Very low | 33.7 | Very low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -103.4 | 70.1 | -178.6 | -169.4 | -159.8 | 175.6 | 122.5 | 7.1 | 111.9 | ||||
| 751 | E | 32.1 | Very low | 33.7 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -152.8 | 165.5 | 170.7 | -114.8 | 155.8 | -150.6 | 0 | 0 | 110.5 | ||||
| 752 | S | 41.3 | Very low | 33.7 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 69.2 | 62.3 | -177.3 | -53.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 753 | A | 30.9 | Very low | 33.6 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -92.3 | 91.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 754 | T | 33.7 | Very low | 33.5 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 77% | 0.767 | 82% | 0.821 | S | S | * | * | trans | -147.9 | 142.9 | 178.7 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 755 | A | 31.3 | Very low | 33.5 | Very low | 94 Ų | 94 | 157.9 Ų | 157.9 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | trans | 65.2 | 68.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 756 | D | 33 | Very low | 33 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -81.7 | 98.2 | 139.6 | -179.6 | 12.8 | 0 | 0 | 0 | 107.7 | ||||
| 757 | A | 33.2 | Very low | 32.9 | Very low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | trans | -161.8 | 71 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 758 | G | 32.9 | Very low | 32.7 | Very low | 59 Ų | 59 | 148.1 Ų | 148.1 | 61% | 0.608 | 82% | 0.815 | S | S | * | * | trans | 96.7 | 102.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 759 | Y | 34.6 | Very low | 32.3 | Very low | 207 Ų | 207 | 143 Ų | 143 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | -145.1 | 45.6 | 125.4 | -136.9 | -88.8 | 0 | 0 | 0 | 113.1 | |||||
| 760 | A | 35.5 | Very low | 32 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | -101.7 | 41.5 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 761 | I | 33 | Very low | 31.6 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 69% | 0.687 | 80% | 0.798 | S | S | * | * | trans | -138.7 | 139.3 | 176.8 | -53 | -179.2 | 0 | 0 | 0 | 107.6 | ||||
| 762 | L | 34.5 | Very low | 31.5 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | trans | 87.4 | 58.9 | -174.7 | -54.5 | 177.1 | 0 | 0 | 0 | 116.6 | ||||
| 763 | E | 33.1 | Very low | 30.8 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -65.9 | 164.2 | 132.8 | -68.6 | -163.4 | 141.6 | 0 | 0 | 111.1 | ||||
| 764 | K | 31.6 | Very low | 30.7 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 85.2 | 114.4 | 150 | -149.6 | 166.2 | -167.5 | 160.9 | 0 | 118 | ||||
| 765 | K | 31.8 | Very low | 30.5 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | trans | 69.4 | 146.5 | 173.6 | -63.4 | 176.7 | 173.3 | -179.8 | 0 | 116.2 | ||||
| 766 | G | 25.9 | Very low | 30.4 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 151.1 | 114.2 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 767 | A | 26.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 81% | 0.81 | 76% | 0.755 | S | S | * | * | trans | 66.6 | 144.5 | 158.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 768 | L | 26.3 | Very low | 29.9 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 76% | 0.755 | S | S | * | * | trans | 68.7 | 157 | 166.1 | -57.5 | 170.9 | 0 | 0 | 0 | 118.5 | ||||
| 769 | A | 28.8 | Very low | 30.8 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | 177.7 | 107.6 | -56.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 770 | E | 25.9 | Very low | 30.5 | Very low | 182 Ų | 182 | 140.9 Ų | 140.9 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | trans | -163 | 133.4 | 160.7 | -140.5 | 164.9 | 171.8 | 0 | 0 | 108.1 | ||||
| 771 | R | 28.2 | Very low | 30.4 | Very low | 201 Ų | 201 | 143.5 Ų | 143.5 | 76% | 0.758 | 75% | 0.753 | S | S | * | * | cis | 106.5 | 91.6 | 15.5 | -167.1 | -164.5 | -174.2 | -132.2 | 0.1 | 114.8 | ||||
| 772 | Q | 28.1 | Very low | 30.2 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -168.6 | 130.8 | 135.9 | -99.8 | 149.9 | 74.7 | 0 | 0 | 107.6 | ||||
| 773 | H | 27.7 | Very low | 30 | Very low | 147 Ų | 147 | 139 Ų | 139 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | 60.8 | 136.3 | 63 | -86.8 | -111.9 | 0 | 0 | 0 | 112.6 | |||||
| 774 | T | 27.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 75% | 0.75 | S | S | * | * | cis | -164.8 | 169.5 | 25.5 | 11.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 775 | S | 30.7 | Very low | 29.6 | Very low | 79 Ų | 79 | 136 Ų | 136 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | cis | 175.9 | -162.4 | -22.9 | 55.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 776 | M | 28.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 137 Ų | 137 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | trans | 94.7 | 135.2 | 165.6 | -52.7 | -73.9 | 91.6 | 0 | 0 | 117.6 | ||||
| 777 | D | 26.8 | Very low | 29.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 63% | 0.626 | 75% | 0.748 | S | S | * | * | cis | -177.1 | 154.3 | -25.8 | -114.7 | 27.5 | 0 | 0 | 0 | 109.5 | ||||
| 778 | L | 29.7 | Very low | 29.9 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | cis | -156.6 | -63.9 | -20.8 | -168.6 | 64.3 | 0 | 0 | 0 | 116.3 | ||||
| 779 | P | 51.5 | Low | 31.1 | Very low | 98 Ų | 98 | 137 Ų | 137 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | -139.3 | 151.7 | -139.8 | 38.5 | -19.2 | 0 | 0 | 0 | 120.9 | ||||
| 780 | K | 27.9 | Very low | 31.9 | Very low | 177 Ų | 177 | 137.8 Ų | 137.8 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | 178.7 | 121.6 | 94.4 | -95.4 | -163.8 | 168 | -176.9 | 0 | 116.7 | |||||
| 781 | L | 33.3 | Very low | 32 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | trans | 62.3 | 150.8 | 132.7 | -56 | 179 | 0 | 0 | 0 | 120.7 | ||||
| 782 | A | 30.6 | Very low | 32.1 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | cis | -154.6 | 166.1 | 6.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 783 | S | 30.2 | Very low | 32.2 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 57.8 | 141 | 145.3 | 56.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 784 | D | 28.7 | Very low | 32.3 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | cis | -164.4 | 178.7 | -10.5 | -129.8 | -59.5 | 0 | 0 | 0 | 114 | ||||
| 785 | D | 26.3 | Very low | 33 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 75% | 0.751 | S | S | * | * | trans | 79.6 | 171.9 | 158 | -122.3 | -44.5 | 0 | 0 | 0 | 122.8 | ||||
| 786 | R | 25 | Very low | 32.9 | Very low | 230 Ų | 230 | 133.3 Ų | 133.3 | 87% | 0.868 | 76% | 0.763 | S | S | * | * | trans | -132.6 | -178.5 | -154.7 | -117.5 | 173.9 | 161.3 | -154.7 | -3.7 | 111.1 | ||||
| 787 | P | 33.4 | Very low | 33.3 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -131.4 | -168.9 | -12.9 | 42.4 | -25.4 | 0 | 0 | 0 | 114.3 | ||||
| 788 | S | 33.3 | Very low | 33.7 | Very low | 111 Ų | 111 | 137.5 Ų | 137.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -112.1 | 172 | 158.6 | -38.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 789 | P | 50.4 | Low | 34.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -136.3 | -134 | 19.2 | 36.1 | -9.2 | 0 | 0 | 0 | 110.3 | ||||
| 790 | P | 46.9 | Very low | 33 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 66% | 0.656 | 80% | 0.795 | S | S | * | * | cis | -138.8 | 176.6 | -19.2 | 40.7 | -21.5 | 0 | 0 | 0 | 117.9 | ||||
| 791 | R | 27.6 | Very low | 33.4 | Very low | 240 Ų | 240 | 136.1 Ų | 136.1 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 31.5 | 131.9 | 141.1 | -67.5 | 175.4 | 168.6 | -174.4 | -5.1 | 122.4 | ||||
| 792 | G | 29.7 | Very low | 33 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | trans | 175.9 | 96.9 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 793 | L | 31.6 | Very low | 33.4 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 59.7 | 110.7 | 74.8 | -77.9 | 175.8 | 0 | 0 | 0 | 115.8 | |||||
| 794 | V | 29.7 | Very low | 33.6 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | 73.1 | 142.6 | 150.8 | -176.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 795 | A | 41.3 | Very low | 33.9 | Very low | 96 Ų | 96 | 142.3 Ų | 142.3 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | trans | -78.2 | 153.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 796 | A | 29.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 143.5 Ų | 143.5 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -137.5 | 137.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 797 | Y | 36.3 | Very low | 35.4 | Very low | 235 Ų | 235 | 140.2 Ų | 140.2 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | trans | -73.4 | 129.2 | 175.5 | -133.9 | -115.5 | 0 | 0 | 0 | 109.3 | ||||
| 798 | S | 34.3 | Very low | 35.4 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -149 | 91.2 | 164.2 | -74.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 799 | G | 43.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 149.3 Ų | 149.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -85.6 | 113 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 800 | E | 24.8 | Very low | 35 | Very low | 190 Ų | 190 | 147.7 Ų | 147.7 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -125 | 141.2 | 168.8 | -154.4 | 86.9 | -114.8 | 0 | 0 | 106.9 | ||||
| 801 | S | 34.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -81.2 | 125.6 | -178.7 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 802 | D | 26.5 | Very low | 34.8 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | -146.3 | 154.6 | 120.2 | -142.3 | -27.5 | 0 | 0 | 0 | 111.4 | |||||
| 803 | S | 37.3 | Very low | 35.3 | Very low | 96 Ų | 96 | 141.4 Ų | 141.4 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | trans | -75.5 | 142.7 | 166.8 | 37.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 804 | E | 34.4 | Very low | 36.1 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | -148.4 | 132.7 | 134.2 | -75.4 | -147.1 | 113.6 | 0 | 0 | 110.4 | E806 | E804-E806 PolarHBondContact O-N 3.46Š| ||
| 805 | E | 36.3 | Very low | 37.3 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 91% | 0.911 | 76% | 0.761 | S | S | * | * | trans | -89.8 | 90.7 | 169.4 | -67.7 | -177.7 | 118.6 | 0 | 0 | 109.4 | Q807 | E805-Q807 PolarHBondContact O-N 3.16Š| ||
| 806 | E | 36.6 | Very low | 38 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -76.4 | 68.6 | 168.4 | -77.8 | -125.4 | 95.3 | 0 | 0 | 111.6 | E804 E808 | E804-E806 PolarHBondContact O-N 3.46Å; E806-E808 PolarHBondContact O-N 3.04Å | ||
| 807 | Q | 45.1 | Very low | 39.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | trans | -44.4 | 97.3 | 147.5 | 171.4 | 80.6 | 94.1 | 0 | 0 | 109.4 | E805 R809 | E805-Q807 PolarHBondContact O-N 3.16Å; Q807-R809 VanDerWaalsContact C-N 3.25Å; Q807-R809 PolarHBondContact O-N 2.72Å | ||
| 808 | E | 34.1 | Very low | 41.7 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -63.1 | 90.2 | 171.2 | -98.6 | -131.6 | 126.3 | 0 | 0 | 110.3 | E806 | E806-E808 PolarHBondContact O-N 3.04Š| ||
| 809 | R | 33.8 | Very low | 44.1 | Very low | 224 Ų | 224 | 126.2 Ų | 126.2 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | trans | -62.5 | 127.8 | 178 | 171.3 | -176.2 | -68.7 | -118.3 | -3.1 | 109.8 | Q807 G811 | Q807-R809 VanDerWaalsContact C-N 3.25Å; Q807-R809 PolarHBondContact O-N 2.72Å; R809-G811 PolarHBondContact O-N 3.34Å | ||
| 810 | G | 41 | Very low | 46.1 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 87% | 0.866 | 64% | 0.64 | S | S | * | * | trans | -53 | 122.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 811 | G | 29.4 | Very low | 48.9 | Very low | 52 Ų | 52 | 120.1 Ų | 120.1 | 54% | 0.536 | 62% | 0.616 | S | S | . | * | trans | -113.2 | 164.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R809 E813 | R809-G811 PolarHBondContact O-N 3.34Å; G811-E813 PolarHBondContact O-N 3.46Å | ||
| 812 | P | 40.7 | Very low | 51.3 | Low | 103 Ų | 103 | 122.9 Ų | 122.9 | 67% | 0.669 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -9.2 | -166.4 | 29.4 | -36.3 | 0 | 0 | 0 | 116.3 | R814 E815 | P812-R814 PolarHBondContact O-N 3.04Å; P812-E815 PolarHBondContact O-N 3.33Å |
| 813 | E | 41.1 | Very low | 53.9 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -49.7 | -31.7 | -179.3 | -90.4 | -141.5 | 145.5 | 0 | 0 | 114.5 | G811 E815 K817 | G811-E813 PolarHBondContact O-N 3.46Å; E813-E815 VanDerWaalsContact C-N 3.29Å; E813-E815 PolarHBondContact O-N 3.04Å; E813-K817 WeakPolarHBondContact O-CD 3.44Å; E813-K817 WeakPolarHBondContact O-CG 3.08Å; E813-K817 IonicContact OE2-NZ 2.85Å; E813-K817 PolarHBondContact OE2-NZ 3.16Å |
| 814 | R | 49.1 | Very low | 56.3 | Low | 158 Ų | 158 | 119.6 Ų | 119.6 | 60% | 0.596 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.1 | -23.2 | -179.5 | -76.4 | 177.8 | 169.3 | -93.9 | 3 | 113.1 | P812 H860 | P812-R814 PolarHBondContact O-N 3.04Å; R814-H860 PolarHBondContact NH1-CD2 3.39Å; R814-H860 PolarHBondContact NH1-CE1 3.44Å; R814-H860 VanDerWaalsContact NH1-CE1 3.27Å; R814-H860 PolarHBondContact NH1-NE2 3.12Å |
| 815 | E | 54.6 | Low | 58.8 | Low | 71 Ų | 71 | 111.2 Ų | 111.2 | 33% | 0.332 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -87.9 | -30.3 | 178.2 | -61.2 | -161.5 | 155.1 | 0 | 0 | 112.4 | P812 E813 K817 L818 R857 | P812-E815 PolarHBondContact O-N 3.33Å; E813-E815 VanDerWaalsContact C-N 3.29Å; E813-E815 PolarHBondContact O-N 3.04Å; E815-K817 VanDerWaalsContact C-N 3.29Å; E815-K817 PolarHBondContact O-N 3Å; E815-L818 WeakPolarHBondContact O-CB 3.47Å; E815-L818 PolarHBondContact O-N 2.83Å; E815-L818 VanDerWaalsContact O-N 3.09Å; E815-R857 IonicContact OE1-CZ 3.17Å; E815-R857 IonicContact OE1-NE 3.12Å; E815-R857 IonicContact OE1-NH2 2.68Å; E815-R857 PolarHBondContact OE1-NH2 3.29Å |
| 816 | E | 55.5 | Low | 61.3 | Low | 124 Ų | 124 | 102 Ų | 102 | 58% | 0.579 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 174.8 | -60 | -164.3 | 143.6 | 0 | 0 | 112 | L818 T819 | E816-L818 PolarHBondContact O-N 3.44Å; E816-L818 VanDerWaalsContact O-N 3.07Å; E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.08Å; E816-T819 PolarHBondContact O-OG1 2.84Å; E816-T819 VanDerWaalsContact O-OG1 3.14Å |
| 817 | K | 65.8 | Low | 63.7 | Low | 132 Ų | 132 | 97.8 Ų | 97.8 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.1 | 176.2 | -67 | 162.3 | -169 | 166.1 | 0 | 113.3 | E813 E815 | E813-K817 WeakPolarHBondContact O-CD 3.44Å; E813-K817 WeakPolarHBondContact O-CG 3.08Å; E813-K817 IonicContact OE2-NZ 2.85Å; E813-K817 PolarHBondContact OE2-NZ 3.16Å; E815-K817 VanDerWaalsContact C-N 3.29Å; E815-K817 PolarHBondContact O-N 3Å |
| 818 | L | 77.5 | Confident | 65.6 | Low | 30 Ų | 30 | 91.2 Ų | 91.2 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 1.2 | 177.4 | -89.8 | 44.8 | 0 | 0 | 0 | 113.5 | E815 E816 L827 L828 | E815-L818 WeakPolarHBondContact O-CB 3.47Å; E815-L818 PolarHBondContact O-N 2.83Å; E815-L818 VanDerWaalsContact O-N 3.09Å; E816-L818 PolarHBondContact O-N 3.44Å; E816-L818 VanDerWaalsContact O-N 3.07Å; L818-L827 WeakPolarHBondContact O-CB 3.37Å; L818-L827 PolarHBondContact O-N 3.47Å; L818-L828 HydrophobicContact CB-CD1 4.49Å; L818-L828 HydrophobicContact CB-CG 4.18Å; L818-L828 HydrophobicContact CD2-CD1 3.92Å; L818-L828 HydrophobicContact CD2-CD2 3.78Å; L818-L828 HydrophobicContact CD2-CG 3.81Å; L818-L828 HydrophobicContact CG-CD1 4.47Å; L818-L828 HydrophobicContact CG-CD2 4.14Å; L818-L828 HydrophobicContact CG-CG 3.95Å |
| 819 | T | 84.1 | Confident | 68.1 | Low | 9 Ų | 9 | 82.9 Ų | 82.9 | 6% | 0.055 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 113 | 177 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | E816 W821 | E816-T819 PolarHBondContact O-N 3.43Å; E816-T819 VanDerWaalsContact O-N 3.08Å; E816-T819 PolarHBondContact O-OG1 2.84Å; E816-T819 VanDerWaalsContact O-OG1 3.14Å; T819-W821 PolarHBondContact O-N 3.18Å; T819-W821 VanDerWaalsContact O-N 3.15Å; T819-W821 PolarHBondContact OG1-NE1 2.98Å |
| 820 | D | 86.6 | Confident | 70.6 | Confident | 34 Ų | 34 | 83.3 Ų | 83.3 | 18% | 0.182 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 93.2 | 173.3 | -177 | -21.7 | 0 | 0 | 0 | 109.1 | Q822 K823 L824 A825 L827 | D820-Q822 PolarHBondContact O-N 3.09Å; D820-Q822 WeakPolarHBondContact OD1-CA 3.44Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.34Å; D820-Q822 PolarHBondContact OD1-N 3.31Å; D820-K823 PolarHBondContact O-N 3Å; D820-K823 PolarHBondContact OD1-N 3.23Å; D820-K823 WeakPolarHBondContact OD2-CD 3.24Å; D820-K823 WeakPolarHBondContact OD2-CG 3.44Å; D820-K823 IonicContact OD2-NZ 2.67Å; D820-K823 PolarHBondContact OD2-NZ 3.06Å; D820-L824 CarbonylContact O-C 3.32Å; D820-L824 WeakPolarHBondContact O-CA 3.29Å; D820-L824 PolarHBondContact O-N 3.4Å; D820-A825 HydrophobicContact CB-CB 4.28Å; D820-A825 PolarHBondContact N-O 3.14Å; D820-A825 PolarHBondContact O-N 3.46Å; D820-L827 HydrophobicContact CB-CD2 4.12Å; D820-L827 HydrophobicContact CB-CG 4.39Å |
| 821 | W | 82 | Confident | 72.7 | Confident | 101 Ų | 101 | 85.5 Ų | 85.5 | 38% | 0.383 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.6 | 177.9 | -65 | 105.8 | 0 | 0 | 0 | 113.3 | T819 L824 K836 L839 I840 | T819-W821 PolarHBondContact O-N 3.18Å; T819-W821 VanDerWaalsContact O-N 3.15Å; T819-W821 PolarHBondContact OG1-NE1 2.98Å; W821-L824 WeakPolarHBondContact O-CD2 3.41Å; W821-K836 HydrophobicContact CE3-CD 4.36Å; W821-K836 HydrophobicContact CE3-CG 4.07Å; W821-K836 HydrophobicContact CZ3-CD 4.21Å; W821-K836 VanDerWaalsContact CZ3-CE 3.48Å; W821-K836 HydrophobicContact CZ3-CG 3.75Å; W821-L839 HydrophobicContact CE3-CD2 3.98Å; W821-L839 HydrophobicContact CZ3-CD2 4.02Å; W821-I840 HydrophobicContact CH2-CD1 4.31Å; W821-I840 HydrophobicContact CH2-CG1 4Å; W821-I840 HydrophobicContact CZ3-CD1 4.23Å; W821-I840 HydrophobicContact CZ3-CG1 4.05Å |
| 822 | Q | 85.1 | Confident | 75.5 | Confident | 181 Ų | 181 | 90.4 Ų | 90.4 | 85% | 0.846 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -35.1 | -178.6 | -158.2 | 72.9 | 2.8 | 0 | 0 | 111.8 | D820 | D820-Q822 PolarHBondContact O-N 3.09Å; D820-Q822 WeakPolarHBondContact OD1-CA 3.44Å; D820-Q822 WeakPolarHBondContact OD1-CB 3.34Å; D820-Q822 PolarHBondContact OD1-N 3.31Å |
| 823 | K | 82.3 | Confident | 77.9 | Confident | 129 Ų | 129 | 87.5 Ų | 87.5 | 56% | 0.561 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.7 | 173.7 | -56.4 | -174.1 | -161.7 | 66.7 | 0 | 113.4 | D820 A825 | D820-K823 PolarHBondContact O-N 3Å; D820-K823 PolarHBondContact OD1-N 3.23Å; D820-K823 WeakPolarHBondContact OD2-CD 3.24Å; D820-K823 WeakPolarHBondContact OD2-CG 3.44Å; D820-K823 IonicContact OD2-NZ 2.67Å; D820-K823 PolarHBondContact OD2-NZ 3.06Å; K823-A825 HydrophobicContact CB-CB 4.15Å; K823-A825 PolarHBondContact O-N 3.49Å |
| 824 | L | 86.8 | Confident | 80 | Confident | 49 Ų | 49 | 87.7 Ų | 87.7 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 42.3 | -173.4 | -60.6 | 175.4 | 0 | 0 | 0 | 112.6 | D820 W821 F833 K836 | D820-L824 CarbonylContact O-C 3.32Å; D820-L824 WeakPolarHBondContact O-CA 3.29Å; D820-L824 PolarHBondContact O-N 3.4Å; W821-L824 WeakPolarHBondContact O-CD2 3.41Å; L824-F833 VanDerWaalsContact CB-O 3.26Å; L824-F833 WeakPolarHBondContact CB-O 3.44Å; L824-F833 PolarHBondContact O-N 3.18Å; L824-K836 HydrophobicContact CD2-CB 4.06Å |
| 825 | A | 86.5 | Confident | 82 | Confident | 8 Ų | 8 | 82.1 Ų | 82.1 | 7% | 0.066 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 133.3 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D820 K823 R831 Q832 | D820-A825 HydrophobicContact CB-CB 4.28Å; D820-A825 PolarHBondContact N-O 3.14Å; D820-A825 PolarHBondContact O-N 3.46Å; K823-A825 HydrophobicContact CB-CB 4.15Å; K823-A825 PolarHBondContact O-N 3.49Å; A825-R831 CarbonylContact C-O 3.26Å; A825-R831 VanDerWaalsContact CA-O 3.25Å; A825-R831 WeakPolarHBondContact CA-O 3.39Å; A825-Q832 HydrophobicContact CB-CB 4.47Å; A825-Q832 HydrophobicContact CB-CG 3.93Å |
| 826 | C | 90.7 | Very high | 83.7 | Confident | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.007 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.8 | 169.3 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | C829 R830 R831 F833 L839 H849 | C826-C829 HydrophobicContact CB-CB 4.31Å; C826-C829 PolarHBondContact O-N 3.4Å; C826-R830 WeakPolarHBondContact O-CA 3.47Å; C826-R830 PolarHBondContact O-N 3.28Å; C826-R831 PolarHBondContact N-O 2.8Å; C826-R831 PolarHBondContact O-N 2.85Å; C826-F833 HydrophobicContact CB-CE2 4.3Å; C826-L839 HydrophobicContact CB-CD1 3.8Å; C826-H849 PolarHBondContact SG-CE1 3.18Å; C826-H849 PolarHBondContact SG-ND1 2.88Å |
| 827 | L | 85.7 | Confident | 85.3 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -35.2 | -177.1 | -56.8 | 179 | 0 | 0 | 0 | 111.4 | L818 D820 C829 R830 | L818-L827 WeakPolarHBondContact O-CB 3.37Å; L818-L827 PolarHBondContact O-N 3.47Å; D820-L827 HydrophobicContact CB-CD2 4.12Å; D820-L827 HydrophobicContact CB-CG 4.39Å; L827-C829 VanDerWaalsContact C-N 3.28Å; L827-C829 PolarHBondContact O-N 3.01Å; L827-R830 WeakPolarHBondContact O-CG 3.48Å; L827-R830 PolarHBondContact O-N 2.95Å |
| 828 | L | 85.6 | Confident | 86.3 | Confident | 24 Ų | 24 | 79.8 Ų | 79.8 | 13% | 0.126 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -38.3 | 171.2 | -76.3 | 176.5 | 0 | 0 | 0 | 113.6 | L818 N852 L853 H856 | L818-L828 HydrophobicContact CB-CD1 4.49Å; L818-L828 HydrophobicContact CB-CG 4.18Å; L818-L828 HydrophobicContact CD2-CD1 3.92Å; L818-L828 HydrophobicContact CD2-CD2 3.78Å; L818-L828 HydrophobicContact CD2-CG 3.81Å; L818-L828 HydrophobicContact CG-CD1 4.47Å; L818-L828 HydrophobicContact CG-CD2 4.14Å; L818-L828 HydrophobicContact CG-CG 3.95Å; L828-N852 HydrophobicContact CB-CB 4.33Å; L828-N852 PolarHBondContact O-ND2 2.6Å; L828-L853 HydrophobicContact CD1-CB 3.75Å; L828-L853 HydrophobicContact CD1-CD1 3.78Å; L828-L853 HydrophobicContact CD1-CG 4.34Å; L828-H856 HydrophobicContact CD2-CB 3.64Å |
| 829 | C | 86.3 | Confident | 86.9 | Confident | 14 Ų | 14 | 78.4 Ų | 78.4 | 10% | 0.095 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -5 | -178.7 | -71 | 0 | 0 | 0 | 0 | 113.9 | C826 L827 R831 H842 H849 | C826-C829 HydrophobicContact CB-CB 4.31Å; C826-C829 PolarHBondContact O-N 3.4Å; L827-C829 VanDerWaalsContact C-N 3.28Å; L827-C829 PolarHBondContact O-N 3.01Å; C829-R831 VanDerWaalsContact C-N 3.26Å; C829-R831 HydrophobicContact CB-CG 4.47Å; C829-R831 WeakPolarHBondContact O-CG 3.28Å; C829-R831 PolarHBondContact O-N 3.48Å; C829-H842 VanDerWaalsContact CB-NE2 3.34Å; C829-H842 WeakPolarHBondContact CB-NE2 3.35Å; C829-H842 PolarHBondContact SG-NE2 3.33Å; C829-H842 VanDerWaalsContact SG-NE2 3.42Å; C829-H849 WeakPolarHBondContact SG-CA 3.43Å |
| 830 | R | 86.3 | Confident | 87.2 | Confident | 234 Ų | 234 | 80.4 Ų | 80.4 | 88% | 0.883 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.7 | -174.2 | -58.4 | -177 | 179.2 | -177.4 | -1.3 | 112.8 | C826 L827 | C826-R830 WeakPolarHBondContact O-CA 3.47Å; C826-R830 PolarHBondContact O-N 3.28Å; L827-R830 WeakPolarHBondContact O-CG 3.48Å; L827-R830 PolarHBondContact O-N 2.95Å |
| 831 | R | 84.8 | Confident | 87.2 | Confident | 130 Ų | 130 | 85.4 Ų | 85.4 | 49% | 0.491 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 131.2 | -178.1 | -73.4 | 171.7 | -167.7 | -137.7 | 0.8 | 111 | A825 C826 C829 F833 | A825-R831 CarbonylContact C-O 3.26Å; A825-R831 VanDerWaalsContact CA-O 3.25Å; A825-R831 WeakPolarHBondContact CA-O 3.39Å; C826-R831 PolarHBondContact N-O 2.8Å; C826-R831 PolarHBondContact O-N 2.85Å; C829-R831 VanDerWaalsContact C-N 3.26Å; C829-R831 HydrophobicContact CB-CG 4.47Å; C829-R831 WeakPolarHBondContact O-CG 3.28Å; C829-R831 PolarHBondContact O-N 3.48Å; R831-F833 HydrophobicContact CB-CD2 4.48Å; R831-F833 HydrophobicContact CB-CE2 3.56Å; R831-F833 HydrophobicContact CB-CZ 3.76Å; R831-F833 WeakPolarHBondContact O-CE2 3.47Å |
| 832 | Q | 89.7 | Confident | 87.6 | Confident | 155 Ų | 155 | 81.3 Ų | 81.3 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 149.5 | 168.2 | -59.3 | 178 | 5.8 | 0 | 0 | 109.3 | A825 | A825-Q832 HydrophobicContact CB-CB 4.47Å; A825-Q832 HydrophobicContact CB-CG 3.93Å |
| 833 | F | 89.1 | Confident | 87.8 | Confident | 42 Ų | 42 | 75.1 Ų | 75.1 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | trans | -128.3 | 143.8 | -178.4 | -69.1 | -88.6 | 0 | 0 | 0 | 111.6 | L824 C826 R831 S835 A838 L839 H842 | L824-F833 VanDerWaalsContact CB-O 3.26Å; L824-F833 WeakPolarHBondContact CB-O 3.44Å; L824-F833 PolarHBondContact O-N 3.18Å; C826-F833 HydrophobicContact CB-CE2 4.3Å; R831-F833 HydrophobicContact CB-CD2 4.48Å; R831-F833 HydrophobicContact CB-CE2 3.56Å; R831-F833 HydrophobicContact CB-CZ 3.76Å; R831-F833 WeakPolarHBondContact O-CE2 3.47Å; F833-S835 PolarHBondContact O-N 3.4Å; F833-A838 HydrophobicContact CB-CB 4.1Å; F833-A838 HydrophobicContact CD1-CB 4.19Å; F833-L839 HydrophobicContact CB-CB 4.13Å; F833-L839 HydrophobicContact CD2-CB 4.26Å; F833-L839 HydrophobicContact CD2-CD1 3.69Å; F833-L839 HydrophobicContact CE2-CD1 4.13Å; F833-L839 HydrophobicContact CG-CB 4.32Å; F833-H842 HydrophobicContact CD1-CB 4.35Å; F833-H842 HydrophobicContact CE1-CB 3.67Å; F833-H842 AromaticContact CE1-CG 3.79Å; F833-H842 HydrophobicContact CE2-CB 4.08Å; F833-H842 AromaticContact CE2-CD2 3.35Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.18Å; F833-H842 AromaticContact CE2-CG 3.71Å; F833-H842 AromaticContact CE2-NE2 3.9Å; F833-H842 HydrophobicContact CZ-CB 3.54Å; F833-H842 AromaticContact CZ-CD2 3.29Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.32Å; F833-H842 AromaticContact CZ-CE1 3.89Å; F833-H842 AromaticContact CZ-CG 3.16Å; F833-H842 AromaticContact CZ-ND1 3.56Å; F833-H842 AromaticContact CZ-NE2 3.73Å | ||
| 834 | P | 86.3 | Confident | 88 | Confident | 128 Ų | 128 | 74.6 Ų | 74.6 | 83% | 0.831 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -73.3 | -9.4 | -174.8 | 30.4 | -36.8 | 0 | 0 | 0 | 114.1 | ||
| 835 | S | 91 | Very high | 87.8 | Confident | 41 Ų | 41 | 78.4 Ų | 78.4 | 29% | 0.287 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -151.8 | 156.6 | 173.7 | 77.6 | 0 | 0 | 0 | 0 | 112.1 | F833 E837 A838 L839 | F833-S835 PolarHBondContact O-N 3.4Å; S835-E837 PolarHBondContact O-N 2.87Å; S835-A838 WeakPolarHBondContact O-CB 3.44Å; S835-A838 PolarHBondContact O-N 2.91Å; S835-A838 PolarHBondContact OG-N 3.47Å; S835-A838 VanDerWaalsContact OG-N 3.15Å; S835-L839 PolarHBondContact O-N 3.43Å |
| 836 | K | 89.7 | Confident | 88 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 53% | 0.53 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.5 | -38.8 | 174.3 | -169.2 | 178.3 | 179.5 | 176.2 | 0 | 111.9 | W821 L824 L839 I840 | W821-K836 HydrophobicContact CE3-CD 4.36Å; W821-K836 HydrophobicContact CE3-CG 4.07Å; W821-K836 HydrophobicContact CZ3-CD 4.21Å; W821-K836 VanDerWaalsContact CZ3-CE 3.48Å; W821-K836 HydrophobicContact CZ3-CG 3.75Å; L824-K836 HydrophobicContact CD2-CB 4.06Å; K836-L839 PolarHBondContact O-N 3.1Å; K836-I840 HydrophobicContact CG-CD1 3.96Å; K836-I840 VanDerWaalsContact O-CG1 3.29Å; K836-I840 WeakPolarHBondContact O-CG1 3.48Å; K836-I840 PolarHBondContact O-N 2.94Å |
| 837 | E | 89.4 | Confident | 87.9 | Confident | 139 Ų | 139 | 81.9 Ų | 81.9 | 65% | 0.65 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -68.5 | -30.9 | 176.5 | -60.7 | 176.7 | 178.3 | 0 | 0 | 113.5 | S835 R841 | S835-E837 PolarHBondContact O-N 2.87Å; E837-R841 WeakPolarHBondContact O-CB 3.3Å; E837-R841 VanDerWaalsContact O-CG 3.29Å; E837-R841 WeakPolarHBondContact O-CG 3.37Å; E837-R841 PolarHBondContact O-N 3.25Å; E837-R841 PolarHBondContact O-NE 3.25Å; E837-R841 VanDerWaalsContact O-NE 3.1Å |
| 838 | A | 87.2 | Confident | 87.9 | Confident | 17 Ų | 17 | 80.9 Ų | 80.9 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.5 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F833 S835 H842 | F833-A838 HydrophobicContact CB-CB 4.1Å; F833-A838 HydrophobicContact CD1-CB 4.19Å; S835-A838 WeakPolarHBondContact O-CB 3.44Å; S835-A838 PolarHBondContact O-N 2.91Å; S835-A838 PolarHBondContact OG-N 3.47Å; S835-A838 VanDerWaalsContact OG-N 3.15Å; A838-H842 WeakPolarHBondContact O-CB 3.4Å; A838-H842 PolarHBondContact O-N 3.18Å |
| 839 | L | 90.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 171.9 | 177.8 | 65.1 | 0 | 0 | 0 | 111.8 | W821 C826 F833 S835 K836 H842 Q843 | W821-L839 HydrophobicContact CE3-CD2 3.98Å; W821-L839 HydrophobicContact CZ3-CD2 4.02Å; C826-L839 HydrophobicContact CB-CD1 3.8Å; F833-L839 HydrophobicContact CB-CB 4.13Å; F833-L839 HydrophobicContact CD2-CB 4.26Å; F833-L839 HydrophobicContact CD2-CD1 3.69Å; F833-L839 HydrophobicContact CE2-CD1 4.13Å; F833-L839 HydrophobicContact CG-CB 4.32Å; S835-L839 PolarHBondContact O-N 3.43Å; K836-L839 PolarHBondContact O-N 3.1Å; L839-H842 WeakPolarHBondContact O-CB 3.28Å; L839-H842 PolarHBondContact O-N 3.32Å; L839-H842 VanDerWaalsContact O-N 3.15Å; L839-Q843 PolarHBondContact O-N 3.38Å |
| 840 | I | 89.3 | Confident | 88 | Confident | 51 Ų | 51 | 84.8 Ų | 84.8 | 26% | 0.262 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63.1 | -45.6 | 179.5 | -69.7 | 166.4 | 0 | 0 | 0 | 111 | W821 K836 H842 Q843 Q844 | W821-I840 HydrophobicContact CH2-CD1 4.31Å; W821-I840 HydrophobicContact CH2-CG1 4Å; W821-I840 HydrophobicContact CZ3-CD1 4.23Å; W821-I840 HydrophobicContact CZ3-CG1 4.05Å; K836-I840 HydrophobicContact CG-CD1 3.96Å; K836-I840 VanDerWaalsContact O-CG1 3.29Å; K836-I840 WeakPolarHBondContact O-CG1 3.48Å; K836-I840 PolarHBondContact O-N 2.94Å; I840-H842 VanDerWaalsContact C-N 3.28Å; I840-H842 PolarHBondContact O-N 2.61Å; I840-Q843 WeakPolarHBondContact O-CB 3.39Å; I840-Q843 PolarHBondContact O-N 3.31Å; I840-Q844 HydrophobicContact CG2-CG 4.45Å; I840-Q844 WeakPolarHBondContact O-CB 3.39Å; I840-Q844 WeakPolarHBondContact O-CG 3.35Å; I840-Q844 PolarHBondContact O-N 3.49Å |
| 841 | R | 88.4 | Confident | 88 | Confident | 139 Ų | 139 | 79.5 Ų | 79.5 | 53% | 0.525 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.3 | -35 | 173.9 | -75.7 | -179.4 | -66.8 | 146.8 | -7.3 | 112.3 | E837 L845 | E837-R841 WeakPolarHBondContact O-CB 3.3Å; E837-R841 VanDerWaalsContact O-CG 3.29Å; E837-R841 WeakPolarHBondContact O-CG 3.37Å; E837-R841 PolarHBondContact O-N 3.25Å; E837-R841 PolarHBondContact O-NE 3.25Å; E837-R841 VanDerWaalsContact O-NE 3.1Å; R841-L845 HydrophobicContact CB-CD1 4.37Å; R841-L845 WeakPolarHBondContact O-CB 3.34Å; R841-L845 WeakPolarHBondContact O-CG 3.26Å; R841-L845 PolarHBondContact O-N 2.88Å |
| 842 | H | 90.2 | Very high | 88.2 | Confident | 16 Ų | 16 | 75.4 Ų | 75.4 | 7% | 0.074 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.5 | -47 | 173.8 | 169.8 | 67.8 | 0 | 0 | 0 | 112 | C829 F833 A838 L839 I840 Q844 S846 | C829-H842 VanDerWaalsContact CB-NE2 3.34Å; C829-H842 WeakPolarHBondContact CB-NE2 3.35Å; C829-H842 PolarHBondContact SG-NE2 3.33Å; C829-H842 VanDerWaalsContact SG-NE2 3.42Å; F833-H842 HydrophobicContact CD1-CB 4.35Å; F833-H842 HydrophobicContact CE1-CB 3.67Å; F833-H842 AromaticContact CE1-CG 3.79Å; F833-H842 HydrophobicContact CE2-CB 4.08Å; F833-H842 AromaticContact CE2-CD2 3.35Å; F833-H842 WeakPolarHBondContact CE2-CD2 3.18Å; F833-H842 AromaticContact CE2-CG 3.71Å; F833-H842 AromaticContact CE2-NE2 3.9Å; F833-H842 HydrophobicContact CZ-CB 3.54Å; F833-H842 AromaticContact CZ-CD2 3.29Å; F833-H842 WeakPolarHBondContact CZ-CD2 3.32Å; F833-H842 AromaticContact CZ-CE1 3.89Å; F833-H842 AromaticContact CZ-CG 3.16Å; F833-H842 AromaticContact CZ-ND1 3.56Å; F833-H842 AromaticContact CZ-NE2 3.73Å; A838-H842 WeakPolarHBondContact O-CB 3.4Å; A838-H842 PolarHBondContact O-N 3.18Å; L839-H842 WeakPolarHBondContact O-CB 3.28Å; L839-H842 PolarHBondContact O-N 3.32Å; L839-H842 VanDerWaalsContact O-N 3.15Å; I840-H842 VanDerWaalsContact C-N 3.28Å; I840-H842 PolarHBondContact O-N 2.61Å; H842-Q844 VanDerWaalsContact C-N 3.35Å; H842-Q844 PolarHBondContact O-N 3.36Å; H842-S846 VanDerWaalsContact ND1-CB 3.28Å; H842-S846 WeakPolarHBondContact ND1-CB 3.29Å; H842-S846 PolarHBondContact ND1-OG 3.42Å; H842-S846 WeakPolarHBondContact O-CB 3.46Å; H842-S846 PolarHBondContact O-N 2.88Å |
| 843 | Q | 88.9 | Confident | 88 | Confident | 51 Ų | 51 | 69.2 Ų | 69.2 | 24% | 0.238 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.1 | -46.3 | 175.6 | -172.2 | 176.9 | 18 | 0 | 0 | 111.6 | L839 I840 H849 | L839-Q843 PolarHBondContact O-N 3.38Å; I840-Q843 WeakPolarHBondContact O-CB 3.39Å; I840-Q843 PolarHBondContact O-N 3.31Å; Q843-H849 PolarHBondContact O-CD2 3.38Å; Q843-H849 VanDerWaalsContact O-CD2 3.28Å |
| 844 | Q | 86.4 | Confident | 87.8 | Confident | 117 Ų | 117 | 70.7 Ų | 70.7 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -77.4 | -34.5 | -175.9 | -68.4 | 173.8 | -8.2 | 0 | 0 | 114.4 | I840 H842 K850 | I840-Q844 HydrophobicContact CG2-CG 4.45Å; I840-Q844 WeakPolarHBondContact O-CB 3.39Å; I840-Q844 WeakPolarHBondContact O-CG 3.35Å; I840-Q844 PolarHBondContact O-N 3.49Å; H842-Q844 VanDerWaalsContact C-N 3.35Å; H842-Q844 PolarHBondContact O-N 3.36Å; Q844-K850 WeakPolarHBondContact O-CE 3.25Å; Q844-K850 PolarHBondContact O-NZ 3.17Å |
| 845 | L | 82.1 | Confident | 87.7 | Confident | 129 Ų | 129 | 69.2 Ų | 69.2 | 68% | 0.675 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -114.9 | -17.9 | -167.5 | -54.5 | 175.7 | 0 | 0 | 0 | 114.6 | R841 G847 | R841-L845 HydrophobicContact CB-CD1 4.37Å; R841-L845 WeakPolarHBondContact O-CB 3.34Å; R841-L845 WeakPolarHBondContact O-CG 3.26Å; R841-L845 PolarHBondContact O-N 2.88Å; L845-G847 PolarHBondContact O-N 3.49Å |
| 846 | S | 90.6 | Very high | 87.4 | Confident | 29 Ų | 29 | 71 Ų | 71 | 20% | 0.203 | 35% | 0.353 | C | S | . | . | trans | -78.2 | 119 | -176.5 | -167.3 | 0 | 0 | 0 | 0 | 112.1 | H842 L848 H849 K850 | H842-S846 VanDerWaalsContact ND1-CB 3.28Å; H842-S846 WeakPolarHBondContact ND1-CB 3.29Å; H842-S846 PolarHBondContact ND1-OG 3.42Å; H842-S846 WeakPolarHBondContact O-CB 3.46Å; H842-S846 PolarHBondContact O-N 2.88Å; S846-L848 PolarHBondContact O-N 2.96Å; S846-H849 WeakPolarHBondContact O-CB 3.42Å; S846-H849 PolarHBondContact O-N 2.92Å; S846-H849 VanDerWaalsContact O-N 3.07Å; S846-K850 PolarHBondContact O-N 3.31Å; S846-K850 VanDerWaalsContact O-N 3.11Å | ||
| 847 | G | 88.5 | Confident | 87 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 55% | 0.546 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.8 | -36.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | L845 H849 K850 Q851 | L845-G847 PolarHBondContact O-N 3.49Å; G847-H849 VanDerWaalsContact C-N 3.35Å; G847-H849 PolarHBondContact O-N 2.84Å; G847-K850 PolarHBondContact O-N 3.28Å; G847-Q851 WeakPolarHBondContact O-CB 3.36Å; G847-Q851 PolarHBondContact O-N 2.9Å |
| 848 | L | 86.2 | Confident | 86.6 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -36.5 | 174.9 | -176.5 | 65.9 | 0 | 0 | 0 | 112.2 | S846 N852 | S846-L848 PolarHBondContact O-N 2.96Å; L848-N852 WeakPolarHBondContact O-CB 3.33Å; L848-N852 VanDerWaalsContact O-CG 3.28Å; L848-N852 PolarHBondContact O-N 3.15Å; L848-N852 PolarHBondContact O-OD1 3.33Å |
| 849 | H | 86 | Confident | 86 | Confident | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.028 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -47.4 | 174.4 | -178 | 89.8 | 0 | 0 | 0 | 110.9 | C826 C829 Q843 S846 G847 Q851 N852 L853 | C826-H849 PolarHBondContact SG-CE1 3.18Å; C826-H849 PolarHBondContact SG-ND1 2.88Å; C829-H849 WeakPolarHBondContact SG-CA 3.43Å; Q843-H849 PolarHBondContact O-CD2 3.38Å; Q843-H849 VanDerWaalsContact O-CD2 3.28Å; S846-H849 WeakPolarHBondContact O-CB 3.42Å; S846-H849 PolarHBondContact O-N 2.92Å; S846-H849 VanDerWaalsContact O-N 3.07Å; G847-H849 VanDerWaalsContact C-N 3.35Å; G847-H849 PolarHBondContact O-N 2.84Å; H849-Q851 PolarHBondContact O-N 2.89Å; H849-N852 PolarHBondContact O-N 2.9Å; H849-L853 VanDerWaalsContact O-CB 3.23Å; H849-L853 WeakPolarHBondContact O-CB 3.28Å; H849-L853 PolarHBondContact O-N 2.96Å |
| 850 | K | 88.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 80.1 Ų | 80.1 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 178.5 | -65.8 | 177.8 | -177.3 | 178.7 | 0 | 112.1 | Q844 S846 G847 E854 | Q844-K850 WeakPolarHBondContact O-CE 3.25Å; Q844-K850 PolarHBondContact O-NZ 3.17Å; S846-K850 PolarHBondContact O-N 3.31Å; S846-K850 VanDerWaalsContact O-N 3.11Å; G847-K850 PolarHBondContact O-N 3.28Å; K850-E854 WeakPolarHBondContact O-CB 3.42Å; K850-E854 PolarHBondContact O-N 3.47Å |
| 851 | Q | 86.1 | Confident | 84.2 | Confident | 122 Ų | 122 | 80.6 Ų | 80.6 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -66.5 | -43.4 | 175.8 | -171.6 | 175.7 | 8 | 0 | 0 | 112.3 | G847 H849 E854 I855 | G847-Q851 WeakPolarHBondContact O-CB 3.36Å; G847-Q851 PolarHBondContact O-N 2.9Å; H849-Q851 PolarHBondContact O-N 2.89Å; Q851-E854 PolarHBondContact O-N 3.31Å; Q851-I855 HydrophobicContact CG-CD1 4.1Å; Q851-I855 VanDerWaalsContact O-CG1 3.28Å; Q851-I855 WeakPolarHBondContact O-CG1 3.28Å; Q851-I855 PolarHBondContact O-N 3.12Å |
| 852 | N | 88.3 | Confident | 83.3 | Confident | 45 Ų | 45 | 76.7 Ų | 76.7 | 24% | 0.241 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 178.2 | -72.8 | 16.6 | 0 | 0 | 0 | 112.1 | L828 L848 H849 I855 H856 | L828-N852 HydrophobicContact CB-CB 4.33Å; L828-N852 PolarHBondContact O-ND2 2.6Å; L848-N852 WeakPolarHBondContact O-CB 3.33Å; L848-N852 VanDerWaalsContact O-CG 3.28Å; L848-N852 PolarHBondContact O-N 3.15Å; L848-N852 PolarHBondContact O-OD1 3.33Å; H849-N852 PolarHBondContact O-N 2.9Å; N852-I855 PolarHBondContact O-N 3.09Å; N852-H856 VanDerWaalsContact O-CB 3.3Å; N852-H856 WeakPolarHBondContact O-CB 3.46Å; N852-H856 PolarHBondContact O-N 3.05Å |
| 853 | L | 86.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 13% | 0.126 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 172.3 | 179.5 | 62.8 | 0 | 0 | 0 | 111 | L828 H849 H856 R857 | L828-L853 HydrophobicContact CD1-CB 3.75Å; L828-L853 HydrophobicContact CD1-CD1 3.78Å; L828-L853 HydrophobicContact CD1-CG 4.34Å; H849-L853 VanDerWaalsContact O-CB 3.23Å; H849-L853 WeakPolarHBondContact O-CB 3.28Å; H849-L853 PolarHBondContact O-N 2.96Å; L853-H856 PolarHBondContact O-N 3.04Å; L853-R857 WeakPolarHBondContact O-CB 3.39Å; L853-R857 VanDerWaalsContact O-CG 3.28Å; L853-R857 WeakPolarHBondContact O-CG 3.28Å; L853-R857 PolarHBondContact O-N 2.83Å |
| 854 | E | 84.5 | Confident | 81.1 | Confident | 73 Ų | 73 | 87.8 Ų | 87.8 | 34% | 0.341 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 176 | 179.8 | 61.6 | -169.4 | 0 | 0 | 112.2 | K850 Q851 H856 R857 R858 | K850-E854 WeakPolarHBondContact O-CB 3.42Å; K850-E854 PolarHBondContact O-N 3.47Å; Q851-E854 PolarHBondContact O-N 3.31Å; E854-H856 VanDerWaalsContact C-N 3.34Å; E854-H856 PolarHBondContact O-N 3.23Å; E854-R857 PolarHBondContact O-N 2.94Å; E854-R858 WeakPolarHBondContact O-CG 3.46Å; E854-R858 PolarHBondContact O-N 3.15Å; E854-R858 IonicContact OE1-CZ 2.65Å; E854-R858 IonicContact OE1-NE 3.15Å; E854-R858 PolarHBondContact OE1-NE 3.1Å; E854-R858 IonicContact OE1-NH2 2.65Å; E854-R858 PolarHBondContact OE1-NH2 2.95Å |
| 855 | I | 84.6 | Confident | 80.5 | Confident | 97 Ų | 97 | 86.7 Ų | 86.7 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.7 | -68.4 | 164.5 | 0 | 0 | 0 | 110.7 | Q851 N852 R858 A859 | Q851-I855 HydrophobicContact CG-CD1 4.1Å; Q851-I855 VanDerWaalsContact O-CG1 3.28Å; Q851-I855 WeakPolarHBondContact O-CG1 3.28Å; Q851-I855 PolarHBondContact O-N 3.12Å; N852-I855 PolarHBondContact O-N 3.09Å; I855-R858 PolarHBondContact O-N 3.22Å; I855-A859 VanDerWaalsContact O-CB 3.28Å; I855-A859 WeakPolarHBondContact O-CB 3.4Å; I855-A859 PolarHBondContact O-N 3.1Å |
| 856 | H | 83.4 | Confident | 80 | Confident | 79 Ų | 79 | 83.4 Ų | 83.4 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.7 | -32.9 | 177.4 | -171.7 | -63.3 | 0 | 0 | 0 | 112.8 | L828 N852 L853 E854 H860 | L828-H856 HydrophobicContact CD2-CB 3.64Å; N852-H856 VanDerWaalsContact O-CB 3.3Å; N852-H856 WeakPolarHBondContact O-CB 3.46Å; N852-H856 PolarHBondContact O-N 3.05Å; L853-H856 PolarHBondContact O-N 3.04Å; E854-H856 VanDerWaalsContact C-N 3.34Å; E854-H856 PolarHBondContact O-N 3.23Å; H856-H860 PolarHBondContact O-N 3.4Å |
| 857 | R | 82 | Confident | 79.2 | Confident | 125 Ų | 125 | 86.6 Ų | 86.6 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.4 | -51.5 | 172.2 | -74.4 | 168.2 | 178.3 | -172.5 | -1.9 | 110.4 | E815 L853 E854 A859 H860 L861 | E815-R857 IonicContact OE1-CZ 3.17Å; E815-R857 IonicContact OE1-NE 3.12Å; E815-R857 IonicContact OE1-NH2 2.68Å; E815-R857 PolarHBondContact OE1-NH2 3.29Å; L853-R857 WeakPolarHBondContact O-CB 3.39Å; L853-R857 VanDerWaalsContact O-CG 3.28Å; L853-R857 WeakPolarHBondContact O-CG 3.28Å; L853-R857 PolarHBondContact O-N 2.83Å; E854-R857 PolarHBondContact O-N 2.94Å; R857-A859 VanDerWaalsContact C-N 3.29Å; R857-A859 PolarHBondContact O-N 3.04Å; R857-H860 PolarHBondContact O-N 3.07Å; R857-L861 PolarHBondContact O-N 3.32Å |
| 858 | R | 80.1 | Confident | 78.6 | Confident | 143 Ų | 143 | 86.6 Ų | 86.6 | 54% | 0.54 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.9 | -68.8 | 178.7 | -169.2 | -135.2 | -4.2 | 113.2 | E854 I855 H860 L866 | E854-R858 WeakPolarHBondContact O-CG 3.46Å; E854-R858 PolarHBondContact O-N 3.15Å; E854-R858 IonicContact OE1-CZ 2.65Å; E854-R858 IonicContact OE1-NE 3.15Å; E854-R858 PolarHBondContact OE1-NE 3.1Å; E854-R858 IonicContact OE1-NH2 2.65Å; E854-R858 PolarHBondContact OE1-NH2 2.95Å; I855-R858 PolarHBondContact O-N 3.22Å; R858-H860 PolarHBondContact O-N 3.35Å; R858-L866 HydrophobicContact CB-CD1 4.26Å |
| 859 | A | 75.4 | Confident | 77.7 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 72% | 0.719 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -4.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I855 R857 | I855-A859 VanDerWaalsContact O-CB 3.28Å; I855-A859 WeakPolarHBondContact O-CB 3.4Å; I855-A859 PolarHBondContact O-N 3.1Å; R857-A859 VanDerWaalsContact C-N 3.29Å; R857-A859 PolarHBondContact O-N 3.04Å |
| 860 | H | 70.9 | Confident | 77.2 | Confident | 114 Ų | 114 | 93.7 Ų | 93.7 | 53% | 0.528 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | -5.4 | 175.3 | -159.2 | -44.7 | 0 | 0 | 0 | 112.7 | R814 H856 R857 R858 | R814-H860 PolarHBondContact NH1-CD2 3.39Å; R814-H860 PolarHBondContact NH1-CE1 3.44Å; R814-H860 VanDerWaalsContact NH1-CE1 3.27Å; R814-H860 PolarHBondContact NH1-NE2 3.12Å; H856-H860 PolarHBondContact O-N 3.4Å; R857-H860 PolarHBondContact O-N 3.07Å; R858-H860 PolarHBondContact O-N 3.35Å |
| 861 | L | 71.1 | Confident | 76.6 | Confident | 62 Ų | 62 | 93 Ų | 93 | 33% | 0.325 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -70.9 | 148.2 | 166.2 | -74 | 169 | 0 | 0 | 0 | 109.8 | R857 E865 L869 | R857-L861 PolarHBondContact O-N 3.32Å; L861-E865 HydrophobicContact CB-CB 4.3Å; L861-E865 HydrophobicContact CD2-CB 4.23Å; L861-L869 HydrophobicContact CD1-CD1 3.63Å |
| 862 | S | 69.4 | Low | 75.9 | Confident | 57 Ų | 57 | 90.8 Ų | 90.8 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | trans | -67.9 | 154.6 | 173.4 | 66.6 | 0 | 0 | 0 | 0 | 111 | N864 E865 L866 | S862-N864 PolarHBondContact O-N 3.3Å; S862-N864 VanDerWaalsContact O-N 3.16Å; S862-E865 VanDerWaalsContact CB-OE2 3.27Å; S862-E865 WeakPolarHBondContact CB-OE2 3.29Å; S862-E865 PolarHBondContact N-OE2 3.31Å; S862-E865 PolarHBondContact O-N 2.98Å; S862-E865 VanDerWaalsContact OG-CG 3.31Å; S862-E865 WeakPolarHBondContact OG-CG 3.46Å; S862-E865 PolarHBondContact OG-N 3.03Å; S862-E865 PolarHBondContact OG-OE2 3.25Å; S862-L866 PolarHBondContact O-N 2.87Å | ||
| 863 | E | 64.4 | Low | 75 | Confident | 175 Ų | 175 | 93.6 Ų | 93.6 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -56.2 | -33.6 | 179.5 | -170.2 | 168 | -159.2 | 0 | 0 | 112.1 | L866 E867 | E863-L866 PolarHBondContact O-N 3.42Å; E863-E867 PolarHBondContact O-N 2.9Å |
| 864 | N | 69 | Low | 73.8 | Confident | 124 Ų | 124 | 98.5 Ų | 98.5 | 66% | 0.663 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -72.5 | -36.8 | 177.5 | -156.8 | 27.1 | 0 | 0 | 0 | 112.7 | S862 A868 | S862-N864 PolarHBondContact O-N 3.3Å; S862-N864 VanDerWaalsContact O-N 3.16Å; N864-A868 WeakPolarHBondContact O-CB 3.39Å; N864-A868 PolarHBondContact O-N 3.15Å |
| 865 | E | 73.6 | Confident | 72.8 | Confident | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.7 | -36.4 | 171.7 | -71.7 | 165.1 | 111.3 | 0 | 0 | 111.9 | L861 S862 A868 L869 | L861-E865 HydrophobicContact CB-CB 4.3Å; L861-E865 HydrophobicContact CD2-CB 4.23Å; S862-E865 VanDerWaalsContact CB-OE2 3.27Å; S862-E865 WeakPolarHBondContact CB-OE2 3.29Å; S862-E865 PolarHBondContact N-OE2 3.31Å; S862-E865 PolarHBondContact O-N 2.98Å; S862-E865 VanDerWaalsContact OG-CG 3.31Å; S862-E865 WeakPolarHBondContact OG-CG 3.46Å; S862-E865 PolarHBondContact OG-N 3.03Å; S862-E865 PolarHBondContact OG-OE2 3.25Å; E865-A868 PolarHBondContact O-N 2.95Å; E865-L869 WeakPolarHBondContact O-CG 3.39Å; E865-L869 PolarHBondContact O-N 3.28Å |
| 866 | L | 70.8 | Confident | 71.4 | Confident | 61 Ų | 61 | 103.4 Ų | 103.4 | 32% | 0.319 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 175.6 | -162.4 | 83.1 | 0 | 0 | 0 | 110.4 | R858 S862 E863 A868 L869 E870 | R858-L866 HydrophobicContact CB-CD1 4.26Å; S862-L866 PolarHBondContact O-N 2.87Å; E863-L866 PolarHBondContact O-N 3.42Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 2.92Å; L866-L869 PolarHBondContact O-N 3.37Å; L866-E870 PolarHBondContact O-N 3.15Å |
| 867 | E | 73.9 | Confident | 70 | Confident | 95 Ų | 95 | 106.8 Ų | 106.8 | 44% | 0.444 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -33.1 | 176.5 | -150.1 | -156.1 | 162.4 | 0 | 0 | 111.9 | E863 K871 | E863-E867 PolarHBondContact O-N 2.9Å; E867-K871 WeakPolarHBondContact O-CB 3.44Å; E867-K871 WeakPolarHBondContact O-CD 3.46Å; E867-K871 WeakPolarHBondContact O-CG 3.32Å; E867-K871 PolarHBondContact O-N 3.07Å; E867-K871 WeakPolarHBondContact OE1-CE 3.5Å; E867-K871 IonicContact OE1-NZ 3.43Å; E867-K871 PolarHBondContact OE1-NZ 2.85Å; E867-K871 IonicContact OE2-NZ 2.69Å; E867-K871 PolarHBondContact OE2-NZ 2.87Å |
| 868 | A | 75.6 | Confident | 69 | Low | 54 Ų | 54 | 108.3 Ų | 108.3 | 45% | 0.446 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N864 E865 L866 N872 | N864-A868 WeakPolarHBondContact O-CB 3.39Å; N864-A868 PolarHBondContact O-N 3.15Å; E865-A868 PolarHBondContact O-N 2.95Å; L866-A868 VanDerWaalsContact C-N 3.31Å; L866-A868 PolarHBondContact O-N 2.92Å; A868-N872 WeakPolarHBondContact O-CB 3.39Å; A868-N872 PolarHBondContact O-N 3.32Å |
| 869 | L | 68.7 | Low | 67.9 | Low | 99 Ų | 99 | 111 Ų | 111 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.7 | -41.4 | 174 | -73.1 | 172.6 | 0 | 0 | 0 | 112 | L861 E865 L866 N872 D873 | L861-L869 HydrophobicContact CD1-CD1 3.63Å; E865-L869 WeakPolarHBondContact O-CG 3.39Å; E865-L869 PolarHBondContact O-N 3.28Å; L866-L869 PolarHBondContact O-N 3.37Å; L869-N872 PolarHBondContact O-N 3.45Å; L869-D873 WeakPolarHBondContact O-CB 3.42Å; L869-D873 PolarHBondContact O-N 3.19Å |
| 870 | E | 74.2 | Confident | 66.9 | Low | 122 Ų | 122 | 115.3 Ų | 115.3 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 174.7 | -71.3 | -167 | 167.1 | 0 | 0 | 112 | L866 M874 | L866-E870 PolarHBondContact O-N 3.15Å; E870-M874 VanDerWaalsContact O-CB 3.26Å; E870-M874 WeakPolarHBondContact O-CB 3.48Å; E870-M874 WeakPolarHBondContact O-CG 3.21Å; E870-M874 PolarHBondContact O-N 3.11Å |
| 871 | K | 76.2 | Confident | 66.7 | Low | 100 Ų | 100 | 112.8 Ų | 112.8 | 44% | 0.435 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61 | -45 | 169.7 | -76 | 162.7 | -173.5 | 161 | 0 | 111.5 | E867 M874 E875 | E867-K871 WeakPolarHBondContact O-CB 3.44Å; E867-K871 WeakPolarHBondContact O-CD 3.46Å; E867-K871 WeakPolarHBondContact O-CG 3.32Å; E867-K871 PolarHBondContact O-N 3.07Å; E867-K871 WeakPolarHBondContact OE1-CE 3.5Å; E867-K871 IonicContact OE1-NZ 3.43Å; E867-K871 PolarHBondContact OE1-NZ 2.85Å; E867-K871 IonicContact OE2-NZ 2.69Å; E867-K871 PolarHBondContact OE2-NZ 2.87Å; K871-M874 PolarHBondContact O-N 3.08Å; K871-E875 WeakPolarHBondContact O-CB 3.02Å; K871-E875 VanDerWaalsContact O-CG 3.31Å; K871-E875 WeakPolarHBondContact O-CG 3.23Å; K871-E875 PolarHBondContact O-N 3.45Å |
| 872 | N | 70.4 | Confident | 66.6 | Low | 77 Ų | 77 | 118.3 Ų | 118.3 | 41% | 0.412 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.7 | -39.3 | -179.6 | -160.1 | -99.3 | 0 | 0 | 0 | 112.8 | A868 L869 E875 Q876 | A868-N872 WeakPolarHBondContact O-CB 3.39Å; A868-N872 PolarHBondContact O-N 3.32Å; L869-N872 PolarHBondContact O-N 3.45Å; N872-E875 PolarHBondContact O-N 3.5Å; N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 2.84Å; N872-Q876 PolarHBondContact OD1-NE2 3.29Å |
| 873 | D | 71.2 | Confident | 65.8 | Low | 103 Ų | 103 | 117.1 Ų | 117.1 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.3 | -37.3 | 175.4 | -157.6 | 43.7 | 0 | 0 | 0 | 111 | L869 Q876 M877 | L869-D873 WeakPolarHBondContact O-CB 3.42Å; L869-D873 PolarHBondContact O-N 3.19Å; D873-Q876 PolarHBondContact O-N 2.97Å; D873-M877 WeakPolarHBondContact O-CB 3.33Å; D873-M877 WeakPolarHBondContact O-CG 3.28Å; D873-M877 PolarHBondContact O-N 3.29Å |
| 874 | M | 60.9 | Low | 66.1 | Low | 128 Ų | 128 | 110.7 Ų | 110.7 | 63% | 0.631 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 170 | -75 | -94.1 | 67.7 | 0 | 0 | 113.2 | E870 K871 M877 K878 | E870-M874 VanDerWaalsContact O-CB 3.26Å; E870-M874 WeakPolarHBondContact O-CB 3.48Å; E870-M874 WeakPolarHBondContact O-CG 3.21Å; E870-M874 PolarHBondContact O-N 3.11Å; K871-M874 PolarHBondContact O-N 3.08Å; M874-M877 HydrophobicContact CE-CB 4.45Å; M874-K878 PolarHBondContact O-N 2.91Å |
| 875 | E | 62.4 | Low | 66.3 | Low | 126 Ų | 126 | 108 Ų | 108 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74 | -35.5 | 175.3 | -76.2 | 176.9 | 164.5 | 0 | 0 | 112.5 | K871 N872 K878 | K871-E875 WeakPolarHBondContact O-CB 3.02Å; K871-E875 VanDerWaalsContact O-CG 3.31Å; K871-E875 WeakPolarHBondContact O-CG 3.23Å; K871-E875 PolarHBondContact O-N 3.45Å; N872-E875 PolarHBondContact O-N 3.5Å; E875-K878 WeakPolarHBondContact O-CB 3.49Å; E875-K878 PolarHBondContact O-N 3.48Å |
| 876 | Q | 55.1 | Low | 65.9 | Low | 146 Ų | 146 | 110.9 Ų | 110.9 | 68% | 0.682 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.7 | -34.2 | 172.5 | -72.1 | -174.5 | 53.1 | 0 | 0 | 112.4 | N872 D873 K878 | N872-Q876 WeakPolarHBondContact O-CG 3.43Å; N872-Q876 PolarHBondContact O-N 2.84Å; N872-Q876 PolarHBondContact OD1-NE2 3.29Å; D873-Q876 PolarHBondContact O-N 2.97Å; Q876-K878 PolarHBondContact O-N 2.84Å |
| 877 | M | 54.6 | Low | 66 | Low | 151 Ų | 151 | 114.6 Ų | 114.6 | 74% | 0.744 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -70.9 | -14.3 | 170.5 | -81.2 | -74.3 | -159 | 0 | 0 | 113.8 | D873 M874 | D873-M877 WeakPolarHBondContact O-CB 3.33Å; D873-M877 WeakPolarHBondContact O-CG 3.28Å; D873-M877 PolarHBondContact O-N 3.29Å; M874-M877 HydrophobicContact CE-CB 4.45Å |
| 878 | K | 60 | Low | 65.6 | Low | 157 Ų | 157 | 118 Ų | 118 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -84 | 132.7 | 177.8 | -158.6 | 174.6 | -176.4 | 179.9 | 0 | 109.5 | M874 E875 Q876 R880 | M874-K878 PolarHBondContact O-N 2.91Å; E875-K878 WeakPolarHBondContact O-CB 3.49Å; E875-K878 PolarHBondContact O-N 3.48Å; Q876-K878 PolarHBondContact O-N 2.84Å; K878-R880 PolarHBondContact O-N 3.48Å |
| 879 | Y | 56.9 | Low | 65.1 | Low | 200 Ų | 200 | 122.7 Ų | 122.7 | 78% | 0.784 | 56% | 0.558 | S | S | * | * | trans | -58 | 108.7 | -178 | 177.4 | -92.8 | 0 | 0 | 0 | 111.6 | D881 | Y879-D881 HydrophobicContact CE1-CB 4.24Å; Y879-D881 PolarHBondContact O-N 3.41Å | ||
| 880 | R | 55.3 | Low | 64.7 | Low | 176 Ų | 176 | 126.1 Ų | 126.1 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | trans | -74.7 | 103.9 | 177.7 | -169.3 | 178.5 | -173 | 118.4 | 3.2 | 109.9 | K878 R882 E885 | K878-R880 PolarHBondContact O-N 3.48Å; R880-R882 VanDerWaalsContact C-N 3.34Å; R880-R882 PolarHBondContact O-N 3.03Å; R880-E885 IonicContact CZ-OE1 2.76Å; R880-E885 VanDerWaalsContact NE-CD 3.27Å; R880-E885 IonicContact NE-OE1 3.8Å; R880-E885 PolarHBondContact NE-OE1 2.76Å; R880-E885 IonicContact NE-OE2 3.18Å; R880-E885 PolarHBondContact NE-OE2 2.77Å; R880-E885 VanDerWaalsContact NE-OE2 3.12Å; R880-E885 IonicContact NH2-OE1 2.83Å; R880-E885 PolarHBondContact NH2-OE1 3.42Å | ||
| 881 | D | 66.4 | Low | 64.2 | Low | 61 Ų | 61 | 122.2 Ų | 122.2 | 33% | 0.326 | 56% | 0.558 | S | S | . | * | trans | -69.2 | 90.2 | 179.4 | -177.3 | 15.2 | 0 | 0 | 0 | 111.7 | Y879 A883 A884 E885 R887 | Y879-D881 HydrophobicContact CE1-CB 4.24Å; Y879-D881 PolarHBondContact O-N 3.41Å; D881-A883 PolarHBondContact O-N 3Å; D881-A883 WeakPolarHBondContact OD1-CA 3.42Å; D881-A883 VanDerWaalsContact OD1-CB 3.26Å; D881-A883 WeakPolarHBondContact OD1-CB 3.41Å; D881-A883 PolarHBondContact OD1-N 3.43Å; D881-A884 HydrophobicContact CB-CB 3.97Å; D881-A884 WeakPolarHBondContact O-CB 3.3Å; D881-A884 PolarHBondContact O-N 2.95Å; D881-A884 PolarHBondContact OD1-N 3.33Å; D881-A884 WeakPolarHBondContact OD2-CB 3.37Å; D881-A884 PolarHBondContact OD2-N 3.02Å; D881-E885 PolarHBondContact O-N 2.91Å; D881-R887 IonicContact OD2-NH1 3.07Å; D881-R887 PolarHBondContact OD2-NH1 3.31Å | ||
| 882 | R | 69.1 | Low | 63.4 | Low | 178 Ų | 178 | 124.3 Ų | 124.3 | 67% | 0.672 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 0.6 | 174.4 | -142.7 | -179.5 | -62.3 | 125.7 | 1.3 | 113.6 | R880 R886 | R880-R882 VanDerWaalsContact C-N 3.34Å; R880-R882 PolarHBondContact O-N 3.03Å; R882-R886 PolarHBondContact O-NE 2.93Å; R882-R886 PolarHBondContact O-NH2 2.72Å |
| 883 | A | 54 | Low | 62.8 | Low | 32 Ų | 32 | 126.1 Ų | 126.1 | 26% | 0.264 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.9 | -39.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112 | D881 R886 R887 | D881-A883 PolarHBondContact O-N 3Å; D881-A883 WeakPolarHBondContact OD1-CA 3.42Å; D881-A883 VanDerWaalsContact OD1-CB 3.26Å; D881-A883 WeakPolarHBondContact OD1-CB 3.41Å; D881-A883 PolarHBondContact OD1-N 3.43Å; A883-R886 PolarHBondContact O-N 2.77Å; A883-R887 WeakPolarHBondContact O-CG 3.14Å; A883-R887 PolarHBondContact O-N 2.93Å |
| 884 | A | 69 | Low | 61.9 | Low | 40 Ų | 40 | 129.9 Ų | 129.9 | 33% | 0.331 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.3 | -49.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D881 R886 R887 E888 | D881-A884 HydrophobicContact CB-CB 3.97Å; D881-A884 WeakPolarHBondContact O-CB 3.3Å; D881-A884 PolarHBondContact O-N 2.95Å; D881-A884 PolarHBondContact OD1-N 3.33Å; D881-A884 WeakPolarHBondContact OD2-CB 3.37Å; D881-A884 PolarHBondContact OD2-N 3.02Å; A884-R886 PolarHBondContact O-N 3.25Å; A884-R887 WeakPolarHBondContact O-CB 3.26Å; A884-R887 PolarHBondContact O-N 3.26Å; A884-E888 PolarHBondContact O-N 3.45Å |
| 885 | E | 73.6 | Confident | 61.9 | Low | 67 Ų | 67 | 129 Ų | 129 | 31% | 0.313 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57.7 | -27.3 | 178.6 | -62.1 | -176.3 | 100.9 | 0 | 0 | 113 | R880 D881 K889 | R880-E885 IonicContact CZ-OE1 2.76Å; R880-E885 VanDerWaalsContact NE-CD 3.27Å; R880-E885 IonicContact NE-OE1 3.8Å; R880-E885 PolarHBondContact NE-OE1 2.76Å; R880-E885 IonicContact NE-OE2 3.18Å; R880-E885 PolarHBondContact NE-OE2 2.77Å; R880-E885 VanDerWaalsContact NE-OE2 3.12Å; R880-E885 IonicContact NH2-OE1 2.83Å; R880-E885 PolarHBondContact NH2-OE1 3.42Å; D881-E885 PolarHBondContact O-N 2.91Å; E885-K889 VanDerWaalsContact O-CB 3.27Å; E885-K889 WeakPolarHBondContact O-CB 2.99Å; E885-K889 PolarHBondContact O-N 2.79Å |
| 886 | R | 65.6 | Low | 61.2 | Low | 155 Ų | 155 | 129 Ų | 129 | 59% | 0.585 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -80.1 | -33.1 | 175.5 | -80.2 | -177.2 | -72.4 | 152.5 | 1.1 | 113.2 | R882 A883 A884 E888 Y890 | R882-R886 PolarHBondContact O-NE 2.93Å; R882-R886 PolarHBondContact O-NH2 2.72Å; A883-R886 PolarHBondContact O-N 2.77Å; A884-R886 PolarHBondContact O-N 3.25Å; R886-E888 VanDerWaalsContact C-N 3.3Å; R886-Y890 WeakPolarHBondContact O-CB 3.23Å; R886-Y890 PolarHBondContact O-N 2.96Å; R886-Y890 VanDerWaalsContact O-N 3.12Å |
| 887 | R | 73.7 | Confident | 60.8 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 53% | 0.525 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.4 | -36.8 | 170.6 | -61.2 | 171.6 | -168.8 | 118.1 | -0.7 | 110.9 | D881 A883 A884 G891 | D881-R887 IonicContact OD2-NH1 3.07Å; D881-R887 PolarHBondContact OD2-NH1 3.31Å; A883-R887 WeakPolarHBondContact O-CG 3.14Å; A883-R887 PolarHBondContact O-N 2.93Å; A884-R887 WeakPolarHBondContact O-CB 3.26Å; A884-R887 PolarHBondContact O-N 3.26Å; R887-G891 CarbonylContact O-C 3.26Å; R887-G891 VanDerWaalsContact O-C 3.32Å; R887-G891 WeakPolarHBondContact O-CA 3.36Å; R887-G891 PolarHBondContact O-N 3.3Å |
| 888 | E | 64.1 | Low | 60.3 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.7 | -46.8 | 179.1 | -170 | 167 | -133.4 | 0 | 0 | 111.9 | A884 R886 | A884-E888 PolarHBondContact O-N 3.45Å; R886-E888 VanDerWaalsContact C-N 3.3Å |
| 889 | K | 64.7 | Low | 59.4 | Low | 152 Ų | 152 | 131.5 Ų | 131.5 | 66% | 0.661 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -73 | -29.4 | -178.6 | -171.3 | 179.3 | 177.1 | -152.7 | 0 | 114.8 | E885 | E885-K889 VanDerWaalsContact O-CB 3.27Å; E885-K889 WeakPolarHBondContact O-CB 2.99Å; E885-K889 PolarHBondContact O-N 2.79Å |
| 890 | Y | 61.1 | Low | 58.8 | Low | 171 Ų | 171 | 133.1 Ų | 133.1 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -119.4 | 2.2 | -174.4 | -65.2 | -79.6 | 0 | 0 | 0 | 114.4 | R886 | R886-Y890 WeakPolarHBondContact O-CB 3.23Å; R886-Y890 PolarHBondContact O-N 2.96Å; R886-Y890 VanDerWaalsContact O-N 3.12Å |
| 891 | G | 63.9 | Low | 57.9 | Low | 40 Ų | 40 | 136.7 Ų | 136.7 | 41% | 0.412 | 66% | 0.656 | S | S | . | * | trans | 73.9 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | R887 | R887-G891 CarbonylContact O-C 3.26Å; R887-G891 VanDerWaalsContact O-C 3.32Å; R887-G891 WeakPolarHBondContact O-CA 3.36Å; R887-G891 PolarHBondContact O-N 3.3Å | ||
| 892 | I | 60 | Low | 56.5 | Low | 143 Ų | 143 | 143.1 Ų | 143.1 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 124.5 | 170.8 | -59.7 | 173.1 | 0 | 0 | 0 | 107.2 | ||
| 893 | P | 57.6 | Low | 54.8 | Low | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.6 | 178.3 | 28.2 | -34.2 | 0 | 0 | 0 | 111.3 | ||
| 894 | E | 52.5 | Low | 53.6 | Low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131.9 | -173.4 | -168.6 | 172.1 | -159.8 | 0 | 0 | 112.4 | ||
| 895 | P | 60 | Low | 51.6 | Low | 110 Ų | 110 | 149.9 Ų | 149.9 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 140 | -178.3 | 29.5 | -34.4 | 0 | 0 | 0 | 112.1 | ||
| 896 | P | 47.9 | Very low | 49.7 | Very low | 126 Ų | 126 | 155 Ų | 155 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 142.4 | -171.1 | 30.2 | -36 | 0 | 0 | 0 | 114.2 | ||
| 897 | E | 46.4 | Very low | 48.1 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.2 | -176.6 | -63.4 | -171.7 | 128 | 0 | 0 | 115.2 | K899 | E897-K899 PolarHBondContact O-N 2.9Š|
| 898 | P | 44.5 | Very low | 46.1 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 99.5 | 177.6 | 31.3 | -34.7 | 0 | 0 | 0 | 112.8 | R900 | P898-R900 PolarHBondContact O-N 2.8Š| ||
| 899 | K | 41.2 | Very low | 44.6 | Very low | 205 Ų | 205 | 148.7 Ų | 148.7 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | trans | -68 | 112.2 | 179.7 | -66.7 | -177.7 | -175.3 | 178.2 | 0 | 113.2 | E897 | E897-K899 PolarHBondContact O-N 2.9Š| ||
| 900 | R | 45.3 | Very low | 43.6 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 140.1 | 166.5 | -75.4 | -173.5 | 165.6 | -146.1 | -3.5 | 112.4 | P898 | P898-R900 PolarHBondContact O-N 2.8Š| ||
| 901 | R | 35.2 | Very low | 42.6 | Very low | 250 Ų | 250 | 144.3 Ų | 144.3 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | trans | -168.3 | 149.8 | 131.9 | -104.1 | 155.4 | -164.5 | -83.2 | -2 | 112.2 | ||||
| 902 | K | 37.1 | Very low | 41.7 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | trans | -108.8 | 146.5 | 173 | -74.3 | -175.7 | 173.9 | -175 | 0 | 109.8 | ||||
| 903 | Y | 33 | Very low | 40.6 | Very low | 247 Ų | 247 | 151.9 Ų | 151.9 | 97% | 0.969 | 82% | 0.817 | S | S | * | * | trans | 166.5 | 130.3 | 133 | -104.4 | -77 | 0 | 0 | 0 | 107.7 | ||||
| 904 | G | 30.4 | Very low | 40.5 | Very low | 77 Ų | 77 | 153 Ų | 153 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | cis | 175.3 | 137.7 | -11.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 905 | G | 26.9 | Very low | 40.3 | Very low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 169.4 | 136.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 906 | I | 33.8 | Very low | 39.8 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | trans | 61.5 | 126.6 | 179.5 | -63.4 | 78.1 | 0 | 0 | 0 | 115.3 | ||||
| 907 | S | 31.9 | Very low | 40.1 | Very low | 106 Ų | 106 | 150.8 Ų | 150.8 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | trans | -120.9 | 130.8 | 179.8 | 53.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 908 | T | 31.7 | Very low | 40.3 | Very low | 135 Ų | 135 | 152 Ų | 152 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | trans | -171.6 | 106.1 | 147.7 | 15.9 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 909 | A | 32.3 | Very low | 40.8 | Very low | 90 Ų | 90 | 149.8 Ų | 149.8 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | 105.4 | 123.9 | 71 | 0 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 910 | S | 43.7 | Very low | 41.6 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -69 | 136.3 | 174.4 | 42.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 911 | V | 38.8 | Very low | 42.3 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | -103.3 | 108.2 | 160.8 | -176.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 912 | D | 46.7 | Very low | 43.6 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | trans | -65.9 | 132.1 | 169.9 | -75.8 | -62.2 | 0 | 0 | 0 | 109.4 | E914 | D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3Å; D912-E914 VanDerWaalsContact O-N 3.09Å | ||
| 913 | F | 36.8 | Very low | 44.8 | Very low | 202 Ų | 202 | 120.6 Ų | 120.6 | 89% | 0.886 | 71% | 0.706 | S | S | * | * | trans | -81.3 | 85.7 | 165.3 | -86.3 | -81.5 | 0 | 0 | 0 | 108.9 | Q915 | F913-Q915 PolarHBondContact O-N 2.92Š| ||
| 914 | E | 54 | Low | 46.2 | Very low | 139 Ų | 139 | 114.8 Ų | 114.8 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | trans | -51.5 | 130.9 | 172.7 | -174.9 | 173.3 | -127.8 | 0 | 0 | 111.2 | D912 P916 | D912-E914 VanDerWaalsContact C-N 3.3Å; D912-E914 PolarHBondContact O-N 3Å; D912-E914 VanDerWaalsContact O-N 3.09Å; E914-P916 VanDerWaalsContact O-CD 3.23Å; E914-P916 WeakPolarHBondContact O-CD 3.35Å | ||
| 915 | Q | 48.8 | Very low | 48 | Very low | 141 Ų | 141 | 115.3 Ų | 115.3 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | trans | -73.5 | 116 | 175.3 | -67.8 | -178.5 | 3.3 | 0 | 0 | 108.9 | F913 T917 R918 | F913-Q915 PolarHBondContact O-N 2.92Å; Q915-T917 PolarHBondContact O-N 3.36Å; Q915-R918 PolarHBondContact O-N 3.42Å | ||
| 916 | P | 49.5 | Very low | 50.1 | Low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 25.3 | -168.4 | -22.8 | 36.3 | 0 | 0 | 0 | 117.3 | E914 | E914-P916 VanDerWaalsContact O-CD 3.23Å; E914-P916 WeakPolarHBondContact O-CD 3.35Å |
| 917 | T | 54.5 | Low | 51.9 | Low | 114 Ų | 114 | 112.1 Ų | 112.1 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | -5.3 | -176.4 | -24.3 | 0 | 0 | 0 | 0 | 113.4 | Q915 | Q915-T917 PolarHBondContact O-N 3.36Š|
| 918 | R | 51.3 | Low | 53.8 | Low | 197 Ų | 197 | 107.3 Ų | 107.3 | 74% | 0.743 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -39.8 | -176.5 | -152.7 | -162.9 | 70.7 | 159.4 | 3.2 | 113 | Q915 | Q915-R918 PolarHBondContact O-N 3.42Š|
| 919 | D | 53.3 | Low | 55.8 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -116.5 | 138.3 | 179.1 | -67.8 | -87.5 | 0 | 0 | 0 | 108.1 | ||
| 920 | G | 58.9 | Low | 57.8 | Low | 65 Ų | 65 | 109.9 Ų | 109.9 | 67% | 0.67 | 60% | 0.598 | S | S | * | * | trans | -71.5 | 160.7 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G922 | G920-G922 PolarHBondContact O-N 3.16Š| ||
| 921 | L | 60 | Low | 59.3 | Low | 88 Ų | 88 | 107.3 Ų | 107.3 | 46% | 0.461 | 58% | 0.576 | S | S | . | * | trans | -58.8 | 96.3 | 179.7 | -96.5 | 74.9 | 0 | 0 | 0 | 112.4 | L931 | L921-L931 HydrophobicContact CD2-CD1 3.95Š| ||
| 922 | G | 62.2 | Low | 61 | Low | 34 Ų | 34 | 107 Ų | 107 | 35% | 0.351 | 57% | 0.566 | S | S | . | * | trans | -54.8 | 141 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G920 D924 N925 S928 | G920-G922 PolarHBondContact O-N 3.16Å; G922-D924 WeakPolarHBondContact CA-OD1 3.41Å; G922-D924 PolarHBondContact O-N 3.39Å; G922-N925 WeakPolarHBondContact O-CB 3.46Å; G922-N925 PolarHBondContact O-N 3.49Å; G922-N925 VanDerWaalsContact O-N 3.1Å; G922-S928 VanDerWaalsContact O-CB 3.29Å; G922-S928 WeakPolarHBondContact O-CB 3.31Å; G922-S928 PolarHBondContact O-OG 2.88Å | ||
| 923 | S | 63.2 | Low | 62.3 | Low | 85 Ų | 85 | 104.5 Ų | 104.5 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -6.1 | -173.9 | 69.1 | 0 | 0 | 0 | 0 | 116.2 | S928 R929 | S923-S928 WeakPolarHBondContact CA-OG 3.29Å; S923-R929 PolarHBondContact O-NH2 2.78Å; S923-R929 VanDerWaalsContact O-NH2 3.12Å |
| 924 | D | 60.7 | Low | 63.5 | Low | 126 Ų | 126 | 102.6 Ų | 102.6 | 67% | 0.674 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -20.8 | 179.7 | 53.9 | -40.1 | 0 | 0 | 0 | 112.8 | G922 | G922-D924 WeakPolarHBondContact CA-OD1 3.41Å; G922-D924 PolarHBondContact O-N 3.39Å |
| 925 | N | 69.6 | Low | 64.2 | Low | 88 Ų | 88 | 98.8 Ų | 98.8 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -67.1 | 133.9 | 171.5 | -171.5 | -34 | 0 | 0 | 0 | 111.3 | G922 G927 S928 R929 | G922-N925 WeakPolarHBondContact O-CB 3.46Å; G922-N925 PolarHBondContact O-N 3.49Å; G922-N925 VanDerWaalsContact O-N 3.1Å; N925-G927 PolarHBondContact O-N 3.46Å; N925-G927 PolarHBondContact OD1-N 2.74Å; N925-S928 PolarHBondContact O-N 2.63Å; N925-S928 VanDerWaalsContact O-N 3.09Å; N925-S928 PolarHBondContact O-OG 3.03Å; N925-R929 PolarHBondContact O-N 2.93Å; N925-R929 VanDerWaalsContact O-N 3.15Å |
| 926 | I | 69.9 | Low | 65.4 | Low | 150 Ų | 150 | 94.9 Ų | 94.9 | 77% | 0.769 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -55 | -36.8 | 177.4 | -60.6 | 172.6 | 0 | 0 | 0 | 111.3 | M930 | I926-M930 WeakPolarHBondContact O-CB 3.48Å; I926-M930 PolarHBondContact O-N 2.83Å |
| 927 | G | 73.1 | Confident | 66.3 | Low | 25 Ų | 25 | 95.5 Ų | 95.5 | 26% | 0.258 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | N925 M930 L931 | N925-G927 PolarHBondContact O-N 3.46Å; N925-G927 PolarHBondContact OD1-N 2.74Å; G927-M930 PolarHBondContact O-N 3.46Å; G927-L931 WeakPolarHBondContact O-CB 3.34Å; G927-L931 VanDerWaalsContact O-CG 3.32Å; G927-L931 WeakPolarHBondContact O-CG 3.29Å; G927-L931 PolarHBondContact O-N 3.4Å |
| 928 | S | 70.9 | Confident | 67 | Low | 5 Ų | 5 | 97.4 Ų | 97.4 | 4% | 0.035 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -70 | -39.5 | 178.5 | 71.2 | 0 | 0 | 0 | 0 | 111 | G922 S923 N925 M930 L931 Q932 | G922-S928 VanDerWaalsContact O-CB 3.29Å; G922-S928 WeakPolarHBondContact O-CB 3.31Å; G922-S928 PolarHBondContact O-OG 2.88Å; S923-S928 WeakPolarHBondContact CA-OG 3.29Å; N925-S928 PolarHBondContact O-N 2.63Å; N925-S928 VanDerWaalsContact O-N 3.09Å; N925-S928 PolarHBondContact O-OG 3.03Å; S928-M930 VanDerWaalsContact C-N 3.34Å; S928-M930 PolarHBondContact O-N 2.77Å; S928-L931 PolarHBondContact O-N 2.7Å; S928-Q932 VanDerWaalsContact O-CB 3.3Å; S928-Q932 WeakPolarHBondContact O-CB 3.44Å; S928-Q932 PolarHBondContact O-N 3.26Å |
| 929 | R | 73.8 | Confident | 67.8 | Low | 154 Ų | 154 | 91 Ų | 91 | 58% | 0.581 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 174.5 | -165.3 | 167.1 | -64.2 | 169.6 | 5.3 | 112.3 | S923 N925 A933 | S923-R929 PolarHBondContact O-NH2 2.78Å; S923-R929 VanDerWaalsContact O-NH2 3.12Å; N925-R929 PolarHBondContact O-N 2.93Å; N925-R929 VanDerWaalsContact O-N 3.15Å; R929-A933 WeakPolarHBondContact O-CB 3.35Å; R929-A933 PolarHBondContact O-N 2.97Å |
| 930 | M | 74.1 | Confident | 68.4 | Low | 124 Ų | 124 | 88.2 Ų | 88.2 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 172.4 | -172.6 | -178.3 | 72.9 | 0 | 0 | 112.1 | I926 G927 S928 Q932 A933 M934 | I926-M930 WeakPolarHBondContact O-CB 3.48Å; I926-M930 PolarHBondContact O-N 2.83Å; G927-M930 PolarHBondContact O-N 3.46Å; S928-M930 VanDerWaalsContact C-N 3.34Å; S928-M930 PolarHBondContact O-N 2.77Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 3.14Å; M930-A933 PolarHBondContact O-N 3.09Å; M930-M934 WeakPolarHBondContact O-CG 3.5Å; M930-M934 PolarHBondContact O-N 3.07Å |
| 931 | L | 75.1 | Confident | 68.8 | Low | 53 Ų | 53 | 85.3 Ų | 85.3 | 28% | 0.277 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 175.7 | -75.6 | 164.3 | 0 | 0 | 0 | 111.6 | L921 G927 S928 M934 G935 W936 L942 | L921-L931 HydrophobicContact CD2-CD1 3.95Å; G927-L931 WeakPolarHBondContact O-CB 3.34Å; G927-L931 VanDerWaalsContact O-CG 3.32Å; G927-L931 WeakPolarHBondContact O-CG 3.29Å; G927-L931 PolarHBondContact O-N 3.4Å; S928-L931 PolarHBondContact O-N 2.7Å; L931-M934 CarbonylContact O-C 3.53Å; L931-M934 WeakPolarHBondContact O-CA 3.48Å; L931-M934 PolarHBondContact O-N 2.92Å; L931-M934 VanDerWaalsContact O-N 3.12Å; L931-G935 PolarHBondContact O-N 3.49Å; L931-W936 HydrophobicContact CB-CB 4.08Å; L931-W936 HydrophobicContact CB-CD2 4.31Å; L931-W936 HydrophobicContact CB-CE3 3.82Å; L931-W936 HydrophobicContact CB-CG 4.46Å; L931-W936 HydrophobicContact CD1-CE3 4.45Å; L931-W936 VanDerWaalsContact O-CB 3.24Å; L931-W936 WeakPolarHBondContact O-CB 3.02Å; L931-W936 PolarHBondContact O-N 2.85Å; L931-L942 HydrophobicContact CD2-CD1 4.15Å |
| 932 | Q | 74.9 | Confident | 69.1 | Low | 117 Ų | 117 | 86.5 Ų | 86.5 | 55% | 0.547 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.7 | -38.1 | 178.6 | -163.3 | 176.7 | 53.1 | 0 | 0 | 112.1 | S928 M930 M934 G935 | S928-Q932 VanDerWaalsContact O-CB 3.3Å; S928-Q932 WeakPolarHBondContact O-CB 3.44Å; S928-Q932 PolarHBondContact O-N 3.26Å; M930-Q932 VanDerWaalsContact C-N 3.33Å; M930-Q932 PolarHBondContact O-N 3.14Å; Q932-M934 VanDerWaalsContact C-N 3.28Å; Q932-M934 PolarHBondContact O-N 3.27Å; Q932-G935 PolarHBondContact O-N 2.92Å |
| 933 | A | 73.4 | Confident | 69 | Low | 88 Ų | 88 | 87.2 Ų | 87.2 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64 | -31.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R929 M930 G935 | R929-A933 WeakPolarHBondContact O-CB 3.35Å; R929-A933 PolarHBondContact O-N 2.97Å; M930-A933 PolarHBondContact O-N 3.09Å; A933-G935 PolarHBondContact O-N 3.45Å |
| 934 | M | 62.8 | Low | 69.1 | Low | 162 Ų | 162 | 95.6 Ų | 95.6 | 80% | 0.798 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | 11.6 | 171.5 | -66.8 | -66.2 | 170.3 | 0 | 0 | 113.7 | M930 L931 Q932 | M930-M934 WeakPolarHBondContact O-CG 3.5Å; M930-M934 PolarHBondContact O-N 3.07Å; L931-M934 CarbonylContact O-C 3.53Å; L931-M934 WeakPolarHBondContact O-CA 3.48Å; L931-M934 PolarHBondContact O-N 2.92Å; L931-M934 VanDerWaalsContact O-N 3.12Å; Q932-M934 VanDerWaalsContact C-N 3.28Å; Q932-M934 PolarHBondContact O-N 3.27Å |
| 935 | G | 67.6 | Low | 69.3 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 61% | 0.608 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L931 Q932 A933 | L931-G935 PolarHBondContact O-N 3.49Å; Q932-G935 PolarHBondContact O-N 2.92Å; A933-G935 PolarHBondContact O-N 3.45Å |
| 936 | W | 73.5 | Confident | 69.1 | Low | 60 Ų | 60 | 99.4 Ų | 99.4 | 23% | 0.227 | 52% | 0.521 | C | S | . | . | trans | -66.6 | 153.2 | 167.1 | -176.8 | 62.5 | 0 | 0 | 0 | 110.8 | L931 E938 S940 L942 | L931-W936 HydrophobicContact CB-CB 4.08Å; L931-W936 HydrophobicContact CB-CD2 4.31Å; L931-W936 HydrophobicContact CB-CE3 3.82Å; L931-W936 HydrophobicContact CB-CG 4.46Å; L931-W936 HydrophobicContact CD1-CE3 4.45Å; L931-W936 VanDerWaalsContact O-CB 3.24Å; L931-W936 WeakPolarHBondContact O-CB 3.02Å; L931-W936 PolarHBondContact O-N 2.85Å; W936-E938 HydrophobicContact CH2-CB 4.49Å; W936-S940 VanDerWaalsContact CD1-O 3.29Å; W936-S940 PolarHBondContact NE1-O 2.91Å; W936-L942 HydrophobicContact CB-CD1 4.12Å; W936-L942 HydrophobicContact CG-CD1 3.9Å | ||
| 937 | K | 70.5 | Confident | 68.7 | Low | 129 Ų | 129 | 99.3 Ų | 99.3 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | trans | -140.6 | 143 | 171.1 | -63.5 | -166.5 | 177.2 | -163.1 | 0 | 108.3 | G939 S940 | K937-G939 PolarHBondContact O-N 2.62Å; K937-S940 WeakPolarHBondContact O-CB 3.44Å; K937-S940 PolarHBondContact O-N 3.05Å | ||
| 938 | E | 68.3 | Low | 68.3 | Low | 155 Ų | 155 | 99.4 Ų | 99.4 | 72% | 0.724 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.8 | 136.3 | 172.2 | -163.7 | 174.2 | -178.2 | 0 | 0 | 110.6 | W936 S940 | W936-E938 HydrophobicContact CH2-CB 4.49Å; E938-S940 PolarHBondContact O-N 3.16Å |
| 939 | G | 67.4 | Low | 68 | Low | 61 Ų | 61 | 105.5 Ų | 105.5 | 63% | 0.629 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 9.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K937 | K937-G939 PolarHBondContact O-N 2.62Š|
| 940 | S | 66.8 | Low | 67.5 | Low | 24 Ų | 24 | 102.5 Ų | 102.5 | 17% | 0.168 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -119 | 139.4 | 172.4 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | W936 K937 E938 K946 | W936-S940 VanDerWaalsContact CD1-O 3.29Å; W936-S940 PolarHBondContact NE1-O 2.91Å; K937-S940 WeakPolarHBondContact O-CB 3.44Å; K937-S940 PolarHBondContact O-N 3.05Å; E938-S940 PolarHBondContact O-N 3.16Å; S940-K946 PolarHBondContact OG-NZ 2.92Å |
| 941 | G | 68 | Low | 66.6 | Low | 5 Ų | 5 | 101.6 Ų | 101.6 | 5% | 0.052 | 55% | 0.549 | C | S | . | . | trans | -68.8 | 150.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K946 G948 | G941-K946 PolarHBondContact N-O 3.43Å; G941-K946 CarbonylContact O-C 3.54Å; G941-K946 VanDerWaalsContact O-CA 3.29Å; G941-K946 WeakPolarHBondContact O-CA 3.39Å; G941-G948 WeakPolarHBondContact CA-O 3.47Å | ||
| 942 | L | 65.2 | Low | 65.8 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -64.1 | 147.3 | 178.4 | -131.9 | 89.1 | 0 | 0 | 0 | 112.1 | L931 W936 G948 | L931-L942 HydrophobicContact CD2-CD1 4.15Å; W936-L942 HydrophobicContact CB-CD1 4.12Å; W936-L942 HydrophobicContact CG-CD1 3.9Å; L942-G948 PolarHBondContact O-N 3.41Å |
| 943 | G | 60.9 | Low | 64.9 | Low | 50 Ų | 50 | 105.3 Ų | 105.3 | 52% | 0.515 | 58% | 0.577 | S | S | . | * | S | Bend | trans | 111.2 | 162.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K945 K946 | G943-K945 PolarHBondContact O-N 2.85Å; G943-K946 PolarHBondContact O-N 3.35Å |
| 944 | R | 64 | Low | 63.9 | Low | 260 Ų | 260 | 108.8 Ų | 108.8 | 98% | 0.981 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -11.4 | -164.7 | -152 | 179.4 | -171.2 | -167.6 | 3.4 | 116.3 | ||
| 945 | K | 64.6 | Low | 63.4 | Low | 168 Ų | 168 | 105.4 Ų | 105.4 | 73% | 0.73 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 16.4 | 174.6 | -63.6 | -176.7 | 178.1 | -178 | 0 | 113.2 | G943 Q947 | G943-K945 PolarHBondContact O-N 2.85Å; K945-Q947 PolarHBondContact O-N 2.88Å |
| 946 | K | 65.4 | Low | 62.8 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 55% | 0.552 | 57% | 0.574 | S | S | * | * | S | Bend | trans | 61.2 | 18 | -176.9 | -54.4 | -177.9 | 170.5 | -162.6 | 0 | 117 | S940 G941 G943 G948 | S940-K946 PolarHBondContact OG-NZ 2.92Å; G941-K946 PolarHBondContact N-O 3.43Å; G941-K946 CarbonylContact O-C 3.54Å; G941-K946 VanDerWaalsContact O-CA 3.29Å; G941-K946 WeakPolarHBondContact O-CA 3.39Å; G943-K946 PolarHBondContact O-N 3.35Å; K946-G948 VanDerWaalsContact C-N 3.32Å; K946-G948 PolarHBondContact O-N 3.25Å |
| 947 | Q | 63.5 | Low | 62.1 | Low | 147 Ų | 147 | 108.6 Ų | 108.6 | 69% | 0.687 | 58% | 0.582 | S | S | * | * | trans | -87.2 | 15.5 | -167.6 | 71.5 | -150.6 | -4.2 | 0 | 0 | 115.3 | K945 | K945-Q947 PolarHBondContact O-N 2.88Š| ||
| 948 | G | 63.6 | Low | 61.5 | Low | 28 Ų | 28 | 109.4 Ų | 109.4 | 29% | 0.289 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -73.6 | 163.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G941 L942 K946 | G941-G948 WeakPolarHBondContact CA-O 3.47Å; L942-G948 PolarHBondContact O-N 3.41Å; K946-G948 VanDerWaalsContact C-N 3.32Å; K946-G948 PolarHBondContact O-N 3.25Å |
| 949 | I | 63.7 | Low | 61.4 | Low | 132 Ų | 132 | 103.2 Ų | 103.2 | 68% | 0.677 | 55% | 0.554 | S | S | * | * | trans | -66.8 | 135.4 | 174.9 | -57 | 173.1 | 0 | 0 | 0 | 108.9 | T951 | I949-T951 WeakPolarHBondContact CG2-O 3.41Š| ||
| 950 | V | 64.1 | Low | 61 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 55% | 0.552 | 57% | 0.57 | S | S | * | * | trans | -103.8 | -26.7 | -175.5 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 951 | T | 56.3 | Low | 60.9 | Low | 106 Ų | 106 | 115 Ų | 115 | 65% | 0.65 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -90.2 | 144 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 111.4 | I949 | I949-T951 WeakPolarHBondContact CG2-O 3.41Š|
| 952 | P | 56.9 | Low | 60.9 | Low | 98 Ų | 98 | 117.3 Ų | 117.3 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | trans | -53.9 | 149.3 | 167.4 | -25 | 35.1 | 0 | 0 | 0 | 112.2 | E954 | P952-E954 PolarHBondContact O-N 3.22Š| ||
| 953 | I | 56.2 | Low | 60.6 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 76% | 0.764 | 62% | 0.616 | S | S | * | * | trans | -88.1 | 109.1 | 178.7 | -58.2 | 176.8 | 0 | 0 | 0 | 108.7 | ||||
| 954 | E | 53.1 | Low | 60.7 | Low | 162 Ų | 162 | 120.1 Ų | 120.1 | 76% | 0.757 | 63% | 0.632 | S | S | * | * | trans | -71.1 | 131.9 | 176.7 | -64.2 | -174.8 | 161.5 | 0 | 0 | 112 | P952 Q956 | P952-E954 PolarHBondContact O-N 3.22Å; E954-Q956 PolarHBondContact O-N 2.89Å | ||
| 955 | A | 51 | Low | 60.4 | Low | 91 Ų | 91 | 111.2 Ų | 111.2 | 75% | 0.752 | 62% | 0.622 | S | S | * | * | trans | -82.9 | 95.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | T957 | A955-T957 PolarHBondContact O-N 2.93Š| ||
| 956 | Q | 56.5 | Low | 60.1 | Low | 122 Ų | 122 | 106.1 Ų | 106.1 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.1 | 122.3 | 176.4 | -68.3 | -174 | -14.2 | 0 | 0 | 112 | E954 | E954-Q956 PolarHBondContact O-N 2.89Å |
| 957 | T | 58.1 | Low | 59.6 | Low | 64 Ų | 64 | 112.1 Ų | 112.1 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.5 | 135.2 | 173.3 | -50.6 | 0 | 0 | 0 | 0 | 109.7 | A955 Y971 | A955-T957 PolarHBondContact O-N 2.93Å; T957-Y971 PolarHBondContact N-O 2.92Å; T957-Y971 PolarHBondContact O-N 3.32Å |
| 958 | R | 58.7 | Low | 59.4 | Low | 146 Ų | 146 | 107.2 Ų | 107.2 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.1 | 150.4 | 175 | -70.6 | -174.3 | 179.8 | 140.9 | 1.8 | 112.5 | R960 S969 | R958-R960 PolarHBondContact O-N 3.03Å; R958-S969 WeakPolarHBondContact CA-O 3.38Å; R958-S969 WeakPolarHBondContact CB-O 3.27Å |
| 959 | V | 65.7 | Low | 59.1 | Low | 24 Ų | 24 | 106.1 Ų | 106.1 | 15% | 0.145 | 61% | 0.606 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 126.1 | 174.7 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | G961 S962 S969 Y971 R990 | V959-G961 PolarHBondContact O-N 3.36Å; V959-S962 PolarHBondContact O-N 3.21Å; V959-S962 VanDerWaalsContact O-N 3.16Å; V959-S969 VanDerWaalsContact CB-OG 3.28Å; V959-S969 WeakPolarHBondContact CB-OG 3.31Å; V959-S969 WeakPolarHBondContact CG2-OG 3.19Å; V959-S969 PolarHBondContact N-O 3.16Å; V959-S969 VanDerWaalsContact N-O 3.14Å; V959-S969 PolarHBondContact N-OG 3.07Å; V959-Y971 HydrophobicContact CG2-CD1 4.27Å; V959-Y971 HydrophobicContact CG2-CE1 4.12Å; V959-R990 VanDerWaalsContact CG1-NH2 3.33Å |
| 960 | R | 58.9 | Low | 58.7 | Low | 254 Ų | 254 | 102.3 Ų | 102.3 | 96% | 0.958 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 109.2 | -175.6 | -149.5 | 179.6 | -165.5 | -174.4 | 4.8 | 109.9 | R958 | R958-R960 PolarHBondContact O-N 3.03Š|
| 961 | G | 65.1 | Low | 58.6 | Low | 80 Ų | 80 | 101.2 Ų | 101.2 | 83% | 0.825 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.6 | -16.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V959 | V959-G961 PolarHBondContact O-N 3.36Š|
| 962 | S | 67.4 | Low | 58.7 | Low | 52 Ų | 52 | 98.4 Ų | 98.4 | 36% | 0.364 | 57% | 0.57 | S | S | . | * | trans | -76.6 | 129.3 | 177.4 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | V959 S969 | V959-S962 PolarHBondContact O-N 3.21Å; V959-S962 VanDerWaalsContact O-N 3.16Å; S962-S969 WeakPolarHBondContact CB-OG 3.47Å; S962-S969 WeakPolarHBondContact OG-CB 3.44Å; S962-S969 PolarHBondContact OG-OG 2.94Å | ||
| 963 | G | 58.9 | Low | 58.7 | Low | 56 Ų | 56 | 97.2 Ų | 97.2 | 58% | 0.577 | 56% | 0.561 | S | S | * | * | trans | -68.1 | 157.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | G965 A966 | G963-G965 PolarHBondContact O-N 3.22Å; G963-A966 PolarHBondContact O-N 3.21Å; G963-A966 VanDerWaalsContact O-N 3.08Å | ||
| 964 | L | 62.7 | Low | 58.7 | Low | 165 Ų | 165 | 93.9 Ų | 93.9 | 86% | 0.864 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -13 | -170.8 | -73.5 | 165.8 | 0 | 0 | 0 | 116.2 | ||
| 965 | G | 58.1 | Low | 58.7 | Low | 74 Ų | 74 | 91.8 Ų | 91.8 | 76% | 0.763 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -5.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | G963 R967 | G963-G965 PolarHBondContact O-N 3.22Å; G965-R967 PolarHBondContact O-N 2.86Å |
| 966 | A | 59.3 | Low | 58.9 | Low | 61 Ų | 61 | 93.3 Ų | 93.3 | 50% | 0.504 | 55% | 0.551 | S | S | . | * | trans | -74.2 | 112.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G963 G968 | G963-A966 PolarHBondContact O-N 3.21Å; G963-A966 VanDerWaalsContact O-N 3.08Å; A966-G968 PolarHBondContact O-N 3.09Å | ||
| 967 | R | 54.2 | Low | 59.3 | Low | 253 Ų | 253 | 90.4 Ų | 90.4 | 96% | 0.955 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -80.1 | 107.6 | 173.7 | -69.3 | -175.4 | 174.7 | -164.6 | -1.3 | 110 | G965 | G965-R967 PolarHBondContact O-N 2.86Š|
| 968 | G | 58.3 | Low | 59.6 | Low | 43 Ų | 43 | 90.4 Ų | 90.4 | 44% | 0.443 | 54% | 0.54 | S | S | . | . | S | Bend | trans | 148 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A966 S970 E993 | A966-G968 PolarHBondContact O-N 3.09Å; G968-S970 PolarHBondContact O-N 2.84Å; G968-E993 WeakPolarHBondContact CA-OE1 3.36Å |
| 969 | S | 57.1 | Low | 59.8 | Low | 5 Ų | 5 | 92.2 Ų | 92.2 | 4% | 0.035 | 55% | 0.548 | C | S | . | . | trans | -71.7 | 28.4 | -166.9 | -174 | 0 | 0 | 0 | 0 | 117 | R958 V959 S962 E993 | R958-S969 WeakPolarHBondContact CA-O 3.38Å; R958-S969 WeakPolarHBondContact CB-O 3.27Å; V959-S969 VanDerWaalsContact CB-OG 3.28Å; V959-S969 WeakPolarHBondContact CB-OG 3.31Å; V959-S969 WeakPolarHBondContact CG2-OG 3.19Å; V959-S969 PolarHBondContact N-O 3.16Å; V959-S969 VanDerWaalsContact N-O 3.14Å; V959-S969 PolarHBondContact N-OG 3.07Å; S962-S969 WeakPolarHBondContact CB-OG 3.47Å; S962-S969 WeakPolarHBondContact OG-CB 3.44Å; S962-S969 PolarHBondContact OG-OG 2.94Å; S969-E993 PolarHBondContact N-OE1 3.47Å; S969-E993 VanDerWaalsContact N-OE1 3.16Å | ||
| 970 | S | 57.2 | Low | 59.9 | Low | 52 Ų | 52 | 99.2 Ų | 99.2 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 115.5 | 175.6 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | G968 | G968-S970 PolarHBondContact O-N 2.84Å |
| 971 | Y | 60.8 | Low | 60.6 | Low | 69 Ų | 69 | 92.4 Ų | 92.4 | 27% | 0.271 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | 176 | 63.6 | -78.8 | 0 | 0 | 0 | 111 | T957 V959 V973 T986 | T957-Y971 PolarHBondContact N-O 2.92Å; T957-Y971 PolarHBondContact O-N 3.32Å; V959-Y971 HydrophobicContact CG2-CD1 4.27Å; V959-Y971 HydrophobicContact CG2-CE1 4.12Å; Y971-V973 HydrophobicContact CD2-CG2 3.65Å; Y971-V973 HydrophobicContact CE2-CG2 3.41Å; Y971-V973 VanDerWaalsContact CE2-CG2 3.41Å; Y971-V973 PolarHBondContact O-N 2.91Å; Y971-T986 HydrophobicContact CD1-CG2 4.44Å; Y971-T986 HydrophobicContact CD2-CG2 4.37Å; Y971-T986 HydrophobicContact CE1-CG2 4.05Å; Y971-T986 HydrophobicContact CE2-CG2 3.96Å |
| 972 | G | 59.5 | Low | 60.9 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 47% | 0.474 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 973 | V | 55.1 | Low | 61.1 | Low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | trans | -99.8 | 100.1 | 172 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | Y971 | Y971-V973 HydrophobicContact CD2-CG2 3.65Å; Y971-V973 HydrophobicContact CE2-CG2 3.41Å; Y971-V973 VanDerWaalsContact CE2-CG2 3.41Å; Y971-V973 PolarHBondContact O-N 2.91Å | ||
| 974 | T | 56.8 | Low | 61.9 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 48% | 0.479 | 53% | 0.527 | S | S | . | . | trans | -75.8 | 141.8 | 164.8 | 45.1 | 0 | 0 | 0 | 0 | 108.9 | T976 E977 | T974-T976 PolarHBondContact O-N 3.22Å; T974-E977 PolarHBondContact OG1-OE1 2.93Å | ||
| 975 | S | 53.1 | Low | 62.5 | Low | 118 Ų | 118 | 90.5 Ų | 90.5 | 83% | 0.825 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 18.9 | -169.4 | 48.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 976 | T | 56.4 | Low | 63.2 | Low | 124 Ų | 124 | 88.3 Ų | 88.3 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.6 | -1.6 | -171.6 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | T974 | T974-T976 PolarHBondContact O-N 3.22Š|
| 977 | E | 63 | Low | 63.8 | Low | 61 Ų | 61 | 91.5 Ų | 91.5 | 29% | 0.285 | 48% | 0.48 | S | S | . | . | trans | -82.2 | 138 | 179.6 | -68.9 | -175.9 | 173.2 | 0 | 0 | 112 | T974 T982 K985 | T974-E977 PolarHBondContact OG1-OE1 2.93Å; E977-T982 HydrophobicContact CB-CG2 4.17Å; E977-K985 IonicContact OE1-NZ 2.68Å; E977-K985 PolarHBondContact OE1-NZ 2.85Å; E977-K985 WeakPolarHBondContact OE2-CD 3.33Å; E977-K985 IonicContact OE2-NZ 2.8Å; E977-K985 PolarHBondContact OE2-NZ 3.04Å | ||
| 978 | S | 65.4 | Low | 64.9 | Low | 64 Ų | 64 | 82.2 Ų | 82.2 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | trans | -68.2 | 153 | -178.7 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | K980 E981 T982 | S978-K980 PolarHBondContact O-N 3.3Å; S978-K980 VanDerWaalsContact O-N 3.16Å; S978-E981 WeakPolarHBondContact CB-OE2 3.44Å; S978-E981 PolarHBondContact N-OE2 2.84Å; S978-E981 WeakPolarHBondContact O-CA 3.34Å; S978-E981 WeakPolarHBondContact O-CB 3.31Å; S978-E981 PolarHBondContact O-N 2.98Å; S978-T982 PolarHBondContact O-N 2.84Å; S978-T982 PolarHBondContact O-OG1 3.48Å | ||
| 979 | Y | 61.9 | Low | 65.5 | Low | 183 Ų | 183 | 82.5 Ų | 82.5 | 72% | 0.718 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -55.1 | -34.3 | 175.9 | -178.9 | -111.9 | 0 | 0 | 0 | 112.7 | T982 L983 | Y979-T982 WeakPolarHBondContact CA-OG1 3.21Å; Y979-T982 PolarHBondContact O-OG1 3.24Å; Y979-L983 HydrophobicContact CD1-CD1 4.11Å; Y979-L983 HydrophobicContact CE1-CD1 3.55Å; Y979-L983 HydrophobicContact CE2-CD1 4.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3Å |
| 980 | K | 69.4 | Low | 65.9 | Low | 172 Ų | 172 | 89.4 Ų | 89.4 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -69.2 | -36.3 | 175.5 | -171.1 | 177.8 | -179.3 | -178 | 0 | 112.3 | S978 H984 | S978-K980 PolarHBondContact O-N 3.3Å; S978-K980 VanDerWaalsContact O-N 3.16Å; K980-H984 WeakPolarHBondContact O-CB 3.49Å; K980-H984 PolarHBondContact O-N 2.68Å |
| 981 | E | 72.7 | Confident | 66.8 | Low | 111 Ų | 111 | 93.2 Ų | 93.2 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -75.7 | -40.5 | 179.6 | -65.1 | 171.8 | 129.7 | 0 | 0 | 111.2 | S978 H984 K985 | S978-E981 WeakPolarHBondContact CB-OE2 3.44Å; S978-E981 PolarHBondContact N-OE2 2.84Å; S978-E981 WeakPolarHBondContact O-CA 3.34Å; S978-E981 WeakPolarHBondContact O-CB 3.31Å; S978-E981 PolarHBondContact O-N 2.98Å; E981-H984 PolarHBondContact O-N 2.69Å; E981-K985 WeakPolarHBondContact O-CB 3.43Å; E981-K985 PolarHBondContact O-N 3.12Å |
| 982 | T | 72.6 | Confident | 67.3 | Low | 33 Ų | 33 | 94.8 Ų | 94.8 | 20% | 0.202 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 174.4 | 35.7 | 0 | 0 | 0 | 0 | 112.6 | E977 S978 Y979 T986 | E977-T982 HydrophobicContact CB-CG2 4.17Å; S978-T982 PolarHBondContact O-N 2.84Å; S978-T982 PolarHBondContact O-OG1 3.48Å; Y979-T982 WeakPolarHBondContact CA-OG1 3.21Å; Y979-T982 PolarHBondContact O-OG1 3.24Å; T982-T986 WeakPolarHBondContact O-CB 3.38Å; T982-T986 WeakPolarHBondContact O-CG2 3.46Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 PolarHBondContact O-OG1 3.19Å |
| 983 | L | 70.3 | Confident | 67.4 | Low | 68 Ų | 68 | 96.7 Ų | 96.7 | 36% | 0.356 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 167.7 | -89.2 | 169.8 | 0 | 0 | 0 | 112.2 | Y979 T986 M987 | Y979-L983 HydrophobicContact CD1-CD1 4.11Å; Y979-L983 HydrophobicContact CE1-CD1 3.55Å; Y979-L983 HydrophobicContact CE2-CD1 4.27Å; Y979-L983 WeakPolarHBondContact O-CB 3.35Å; Y979-L983 PolarHBondContact O-N 3Å; L983-T986 PolarHBondContact O-N 2.85Å; L983-T986 PolarHBondContact O-OG1 3.23Å; L983-M987 WeakPolarHBondContact O-CB 3.42Å; L983-M987 WeakPolarHBondContact O-CG 3.48Å; L983-M987 PolarHBondContact O-N 2.96Å |
| 984 | H | 76.2 | Confident | 67.7 | Low | 129 Ų | 129 | 97.1 Ų | 97.1 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 177.4 | -172.3 | -104 | 0 | 0 | 0 | 112 | K980 E981 T986 M987 V988 | K980-H984 WeakPolarHBondContact O-CB 3.49Å; K980-H984 PolarHBondContact O-N 2.68Å; E981-H984 PolarHBondContact O-N 2.69Å; H984-T986 PolarHBondContact O-N 3Å; H984-M987 PolarHBondContact O-N 3.19Å; H984-V988 WeakPolarHBondContact O-CB 3.48Å; H984-V988 VanDerWaalsContact O-CG2 3.31Å; H984-V988 WeakPolarHBondContact O-CG2 3.27Å; H984-V988 PolarHBondContact O-N 2.97Å |
| 985 | K | 75.4 | Confident | 67 | Low | 82 Ų | 82 | 103.7 Ų | 103.7 | 36% | 0.357 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -54.7 | -53.1 | 173.5 | -115.3 | 179.4 | -176.4 | 175.9 | 0 | 111.2 | E977 E981 M987 V988 T989 | E977-K985 IonicContact OE1-NZ 2.68Å; E977-K985 PolarHBondContact OE1-NZ 2.85Å; E977-K985 WeakPolarHBondContact OE2-CD 3.33Å; E977-K985 IonicContact OE2-NZ 2.8Å; E977-K985 PolarHBondContact OE2-NZ 3.04Å; E981-K985 WeakPolarHBondContact O-CB 3.43Å; E981-K985 PolarHBondContact O-N 3.12Å; K985-M987 VanDerWaalsContact C-N 3.33Å; K985-M987 PolarHBondContact O-N 3.01Å; K985-V988 PolarHBondContact O-N 2.81Å; K985-T989 PolarHBondContact O-N 3.06Å; K985-T989 PolarHBondContact O-OG1 3.12Å |
| 986 | T | 71.6 | Confident | 67.7 | Low | 28 Ų | 28 | 103 Ų | 103 | 17% | 0.172 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -68.8 | -29.8 | -176.6 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | Y971 T982 L983 H984 R990 | Y971-T986 HydrophobicContact CD1-CG2 4.44Å; Y971-T986 HydrophobicContact CD2-CG2 4.37Å; Y971-T986 HydrophobicContact CE1-CG2 4.05Å; Y971-T986 HydrophobicContact CE2-CG2 3.96Å; T982-T986 WeakPolarHBondContact O-CB 3.38Å; T982-T986 WeakPolarHBondContact O-CG2 3.46Å; T982-T986 PolarHBondContact O-N 3.43Å; T982-T986 PolarHBondContact O-OG1 3.19Å; L983-T986 PolarHBondContact O-N 2.85Å; L983-T986 PolarHBondContact O-OG1 3.23Å; H984-T986 PolarHBondContact O-N 3Å; T986-R990 WeakPolarHBondContact O-CB 3.36Å; T986-R990 VanDerWaalsContact O-CG 3.28Å; T986-R990 WeakPolarHBondContact O-CG 3.26Å; T986-R990 PolarHBondContact O-N 2.79Å |
| 987 | M | 73.8 | Confident | 68.3 | Low | 128 Ų | 128 | 101.8 Ų | 101.8 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.2 | -46.2 | 169.5 | -75.1 | -179.7 | 172.7 | 0 | 0 | 112.1 | L983 H984 K985 R990 F991 | L983-M987 WeakPolarHBondContact O-CB 3.42Å; L983-M987 WeakPolarHBondContact O-CG 3.48Å; L983-M987 PolarHBondContact O-N 2.96Å; H984-M987 PolarHBondContact O-N 3.19Å; K985-M987 VanDerWaalsContact C-N 3.33Å; K985-M987 PolarHBondContact O-N 3.01Å; M987-R990 PolarHBondContact O-N 2.95Å; M987-F991 WeakPolarHBondContact O-CB 3.47Å; M987-F991 PolarHBondContact O-N 2.72Å |
| 988 | V | 77.3 | Confident | 68.6 | Low | 59 Ų | 59 | 104.1 Ų | 104.1 | 36% | 0.358 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 178 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | H984 K985 F991 N992 | H984-V988 WeakPolarHBondContact O-CB 3.48Å; H984-V988 VanDerWaalsContact O-CG2 3.31Å; H984-V988 WeakPolarHBondContact O-CG2 3.27Å; H984-V988 PolarHBondContact O-N 2.97Å; K985-V988 PolarHBondContact O-N 2.81Å; V988-F991 PolarHBondContact O-N 3.02Å; V988-N992 WeakPolarHBondContact O-CB 3.42Å; V988-N992 VanDerWaalsContact O-CG 3.22Å; V988-N992 PolarHBondContact O-N 3.07Å |
| 989 | T | 70.4 | Confident | 68.8 | Low | 49 Ų | 49 | 106.5 Ų | 106.5 | 30% | 0.301 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -47 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 111.1 | K985 F991 N992 E993 | K985-T989 PolarHBondContact O-N 3.06Å; K985-T989 PolarHBondContact O-OG1 3.12Å; T989-F991 VanDerWaalsContact C-N 3.31Å; T989-F991 PolarHBondContact O-N 3.26Å; T989-N992 CarbonylContact O-C 3.58Å; T989-N992 PolarHBondContact O-N 3Å; T989-E993 HydrophobicContact CG2-CG 4.47Å; T989-E993 WeakPolarHBondContact O-CG 3.5Å; T989-E993 PolarHBondContact O-N 3.5Å |
| 990 | R | 64 | Low | 69.3 | Low | 149 Ų | 149 | 101.7 Ų | 101.7 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.3 | -31.7 | 177.4 | -76.4 | 174.5 | 172.6 | -173.9 | -3.1 | 113.7 | V959 T986 M987 A994 | V959-R990 VanDerWaalsContact CG1-NH2 3.33Å; T986-R990 WeakPolarHBondContact O-CB 3.36Å; T986-R990 VanDerWaalsContact O-CG 3.28Å; T986-R990 WeakPolarHBondContact O-CG 3.26Å; T986-R990 PolarHBondContact O-N 2.79Å; M987-R990 PolarHBondContact O-N 2.95Å; R990-A994 WeakPolarHBondContact O-CB 3.15Å; R990-A994 PolarHBondContact O-N 3.18Å |
| 991 | F | 76.6 | Confident | 69.2 | Low | 133 Ų | 133 | 97 Ų | 97 | 58% | 0.583 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -68.9 | -41.9 | 173.9 | -176.7 | -97.2 | 0 | 0 | 0 | 111.2 | M987 V988 T989 A994 | M987-F991 WeakPolarHBondContact O-CB 3.47Å; M987-F991 PolarHBondContact O-N 2.72Å; V988-F991 PolarHBondContact O-N 3.02Å; T989-F991 VanDerWaalsContact C-N 3.31Å; T989-F991 PolarHBondContact O-N 3.26Å; F991-A994 PolarHBondContact O-N 3.22Å |
| 992 | N | 72.6 | Confident | 69 | Low | 101 Ų | 101 | 96 Ų | 96 | 54% | 0.54 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -75.2 | -20.7 | 177 | -64.9 | -9.1 | 0 | 0 | 0 | 113.5 | V988 T989 A994 | V988-N992 WeakPolarHBondContact O-CB 3.42Å; V988-N992 VanDerWaalsContact O-CG 3.22Å; V988-N992 PolarHBondContact O-N 3.07Å; T989-N992 CarbonylContact O-C 3.58Å; T989-N992 PolarHBondContact O-N 3Å; N992-A994 VanDerWaalsContact C-N 3.29Å |
| 993 | E | 60.7 | Low | 68.7 | Low | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.4 | 168.7 | -74.1 | -176.3 | 140.3 | 0 | 0 | 112.9 | G968 S969 T989 | G968-E993 WeakPolarHBondContact CA-OE1 3.36Å; S969-E993 PolarHBondContact N-OE1 3.47Å; S969-E993 VanDerWaalsContact N-OE1 3.16Å; T989-E993 HydrophobicContact CG2-CG 4.47Å; T989-E993 WeakPolarHBondContact O-CG 3.5Å; T989-E993 PolarHBondContact O-N 3.5Å |
| 994 | A | 61.7 | Low | 68.6 | Low | 83 Ų | 83 | 103.6 Ų | 103.6 | 69% | 0.686 | 52% | 0.516 | S | S | * | . | trans | -111 | 8.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R990 F991 N992 | R990-A994 WeakPolarHBondContact O-CB 3.15Å; R990-A994 PolarHBondContact O-N 3.18Å; F991-A994 PolarHBondContact O-N 3.22Å; N992-A994 VanDerWaalsContact C-N 3.29Å | ||
| 995 | Q | 42.8 | Very low | 67.9 | Low | 215 Ų | 215 | 101.3 Ų | 101.3 | 100% | 1.005 | 51% | 0.509 | S | S | * | . | trans | -110.5 | 0 | 166.2 | -69.5 | -164.7 | -11.9 | 0 | 0 | 110.6 |
Retrieved 995 of 995 residues in 175.2 ms
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