| 1 | M | 35.7 | Very low | 47.4 | Very low | 245 Ų | 245 | 151.4 Ų | 151.4 | 100% | 1.207 | 80% | 0.796 | S | S | * | * | | | | 0 | 133.1 | 0 | -68.3 | -173.4 | 176.9 | 0 | 0 | 108.1 | | |
| 2 | K | 37.9 | Very low | 49.1 | Very low | 212 Ų | 212 | 144.8 Ų | 144.8 | 92% | 0.922 | 77% | 0.773 | S | S | * | * | | | trans | 6.9 | 122.8 | 168.7 | -82.9 | 152.4 | 160.5 | 172 | 0 | 119.9 | | |
| 3 | S | 43.7 | Very low | 50.3 | Low | 124 Ų | 124 | 142.3 Ų | 142.3 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 135.8 | 156 | 48.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | E | 46.3 | Very low | 51.2 | Low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 132.8 | -169.9 | -160.3 | 168.4 | 108.2 | 0 | 0 | 112.1 | | |
| 5 | A | 46.5 | Very low | 52.2 | Low | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 120.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 6 | K | 54.3 | Low | 52.9 | Low | 189 Ų | 189 | 133.3 Ų | 133.3 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | | | trans | -119.2 | 72.6 | 174 | -153.6 | 178.5 | -173.8 | -179.4 | 0 | 107.8 | | |
| 7 | D | 48.4 | Very low | 53.7 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | | | trans | -145 | 101.6 | 175.6 | -176.8 | 20.8 | 0 | 0 | 0 | 106.6 | | |
| 8 | G | 50 | Low | 54.5 | Low | 58 Ų | 58 | 137.2 Ų | 137.2 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | | | trans | -179.6 | -13.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 9 | E | 52.8 | Low | 55.1 | Low | 154 Ų | 154 | 139.8 Ų | 139.8 | 72% | 0.72 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -98.1 | -20.1 | 178.6 | 61.1 | -161.9 | -163.9 | 0 | 0 | 113.9 | | |
| 10 | E | 52.9 | Low | 55.3 | Low | 136 Ų | 136 | 139 Ų | 139 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -79.7 | -28.7 | -178.8 | 64.5 | -166.6 | -127.2 | 0 | 0 | 114.3 | S12 | E10-S12 VanDerWaalsContact C-N 3.31Å; E10-S12 PolarHBondContact O-N 3.45Å |
| 11 | E | 53.1 | Low | 55.6 | Low | 143 Ų | 143 | 142.9 Ų | 142.9 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -78.9 | -16.8 | -178 | -141 | 172.8 | 171.2 | 0 | 0 | 113 | T15 | E11-T15 WeakPolarHBondContact O-CG2 3.29Å; E11-T15 PolarHBondContact O-N 2.85Å; E11-T15 PolarHBondContact O-OG1 3.2Å |
| 12 | S | 67.9 | Low | 56.8 | Low | 73 Ų | 73 | 136.6 Ų | 136.6 | 51% | 0.51 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -76.5 | -35.7 | -179.9 | -172.9 | 0 | 0 | 0 | 0 | 112.8 | E10 T15 A16 | E10-S12 VanDerWaalsContact C-N 3.31Å; E10-S12 PolarHBondContact O-N 3.45Å; S12-T15 WeakPolarHBondContact CA-OG1 3.43Å; S12-T15 PolarHBondContact O-OG1 2.88Å; S12-A16 VanDerWaalsContact O-CB 3.32Å; S12-A16 WeakPolarHBondContact O-CB 3.37Å; S12-A16 PolarHBondContact O-N 3.08Å |
| 13 | L | 64.8 | Low | 57.4 | Low | 112 Ų | 112 | 133.3 Ų | 133.3 | 59% | 0.586 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.1 | -41.9 | -178.2 | -64.2 | 177.2 | 0 | 0 | 0 | 111.7 | T15 A16 F17 | L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.33Å; L13-A16 WeakPolarHBondContact O-CB 3.34Å; L13-A16 PolarHBondContact O-N 3Å; L13-F17 WeakPolarHBondContact O-CD2 3.32Å; L13-F17 PolarHBondContact O-N 2.88Å |
| 14 | Q | 62.5 | Low | 57.9 | Low | 152 Ų | 152 | 132.1 Ų | 132.1 | 71% | 0.71 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.6 | -33.6 | 178 | -65.9 | -171.7 | -1.6 | 0 | 0 | 112.2 | K18 | Q14-K18 PolarHBondContact O-N 3.41Å |
| 15 | T | 66.1 | Low | 58.3 | Low | 79 Ų | 79 | 128.6 Ų | 128.6 | 49% | 0.485 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -74 | -32.3 | 172.5 | 47.5 | 0 | 0 | 0 | 0 | 112.7 | E11 S12 L13 K18 K19 | E11-T15 WeakPolarHBondContact O-CG2 3.29Å; E11-T15 PolarHBondContact O-N 2.85Å; E11-T15 PolarHBondContact O-OG1 3.2Å; S12-T15 WeakPolarHBondContact CA-OG1 3.43Å; S12-T15 PolarHBondContact O-OG1 2.88Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 3.33Å; T15-K18 PolarHBondContact O-N 3.09Å; T15-K19 PolarHBondContact O-N 3Å; T15-K19 VanDerWaalsContact O-N 3.07Å |
| 16 | A | 63.3 | Low | 58.7 | Low | 52 Ų | 52 | 127.6 Ų | 127.6 | 43% | 0.43 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S12 L13 K18 K19 L20 | S12-A16 VanDerWaalsContact O-CB 3.32Å; S12-A16 WeakPolarHBondContact O-CB 3.37Å; S12-A16 PolarHBondContact O-N 3.08Å; L13-A16 WeakPolarHBondContact O-CB 3.34Å; L13-A16 PolarHBondContact O-N 3Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.37Å; A16-K19 PolarHBondContact O-N 3.24Å; A16-L20 PolarHBondContact O-N 3.21Å |
| 17 | F | 66.5 | Low | 58.1 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 67% | 0.667 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.4 | -32.5 | 176.1 | -74.3 | -69.6 | 0 | 0 | 0 | 112.9 | L13 K19 L20 | L13-F17 WeakPolarHBondContact O-CD2 3.32Å; L13-F17 PolarHBondContact O-N 2.88Å; F17-K19 VanDerWaalsContact C-N 3.33Å; F17-L20 PolarHBondContact O-N 2.89Å |
| 18 | K | 68.6 | Low | 57.8 | Low | 185 Ų | 185 | 126.4 Ų | 126.4 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73 | -25.2 | 175.6 | -163.2 | 172.3 | 177.2 | 179.8 | 0 | 113 | Q14 T15 A16 | Q14-K18 PolarHBondContact O-N 3.41Å; T15-K18 PolarHBondContact O-N 3.09Å; A16-K18 VanDerWaalsContact C-N 3.32Å; A16-K18 PolarHBondContact O-N 3.37Å |
| 19 | K | 65.4 | Low | 57.1 | Low | 186 Ų | 186 | 128.4 Ų | 128.4 | 81% | 0.809 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -83.7 | -18.6 | 172.5 | -79.1 | -171.4 | 164.7 | -178.6 | 0 | 113.5 | T15 A16 F17 R21 | T15-K19 PolarHBondContact O-N 3Å; T15-K19 VanDerWaalsContact O-N 3.07Å; A16-K19 PolarHBondContact O-N 3.24Å; F17-K19 VanDerWaalsContact C-N 3.33Å; K19-R21 PolarHBondContact O-N 3.45Å |
| 20 | L | 58.8 | Low | 56.7 | Low | 124 Ų | 124 | 126 Ų | 126 | 65% | 0.649 | 71% | 0.708 | S | S | * | * | | | trans | -81.1 | 54.8 | 172.9 | -159.4 | 79.4 | 0 | 0 | 0 | 110.8 | A16 F17 V22 | A16-L20 PolarHBondContact O-N 3.21Å; F17-L20 PolarHBondContact O-N 2.89Å; L20-V22 HydrophobicContact CG-CG2 4.44Å; L20-V22 PolarHBondContact O-N 3.09Å |
| 21 | R | 61.7 | Low | 56 | Low | 220 Ų | 220 | 127.7 Ų | 127.7 | 83% | 0.83 | 72% | 0.721 | S | S | * | * | | | trans | -82 | 101.2 | 162.3 | -129.1 | -179.1 | -168.7 | 167.8 | 1.9 | 106.3 | K19 D23 | K19-R21 PolarHBondContact O-N 3.45Å; R21-D23 PolarHBondContact O-N 3.01Å |
| 22 | V | 61.6 | Low | 55.3 | Low | 114 Ų | 114 | 126.5 Ų | 126.5 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | -72.3 | 102.9 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 106.8 | L20 A24 | L20-V22 HydrophobicContact CG-CG2 4.44Å; L20-V22 PolarHBondContact O-N 3.09Å; V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.02Å |
| 23 | D | 49.8 | Very low | 53.7 | Low | 142 Ų | 142 | 129.8 Ų | 129.8 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | | | trans | -67.8 | 93.1 | 166.8 | -75.2 | -30.6 | 0 | 0 | 0 | 107.8 | R21 S25 | R21-D23 PolarHBondContact O-N 3.01Å; D23-S25 PolarHBondContact O-N 3.38Å |
| 24 | A | 54 | Low | 52.4 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | | | trans | -77.3 | 45.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V22 | V22-A24 VanDerWaalsContact C-N 3.28Å; V22-A24 PolarHBondContact O-N 3.02Å |
| 25 | S | 55.3 | Low | 51 | Low | 114 Ų | 114 | 129.9 Ų | 129.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -147.6 | 105.4 | 171.7 | -167 | 0 | 0 | 0 | 0 | 109.7 | D23 | D23-S25 PolarHBondContact O-N 3.38Š|
| 26 | G | 54.2 | Low | 49.7 | Very low | 78 Ų | 78 | 129 Ų | 129 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 119.4 | 56.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 27 | S | 43.3 | Very low | 48.5 | Very low | 120 Ų | 120 | 134 Ų | 134 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -139.7 | 76 | 154.5 | -164.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 28 | I | 41 | Very low | 47 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -116.1 | 84 | 157.1 | 16.6 | 171.8 | 0 | 0 | 0 | 105.7 | S30 | I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.28Å |
| 29 | A | 36.2 | Very low | 45.7 | Very low | 100 Ų | 100 | 128 Ų | 128 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -87.9 | 78.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 30 | S | 43.5 | Very low | 44.4 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | | | trans | -87 | 129.3 | 160.9 | 47.8 | 0 | 0 | 0 | 0 | 108.9 | I28 | I28-S30 VanDerWaalsContact C-N 3.32Å; I28-S30 PolarHBondContact O-N 3.28Å |
| 31 | L | 39.6 | Very low | 43.1 | Very low | 172 Ų | 172 | 129 Ų | 129 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -41.4 | 137.4 | -179.1 | -65.8 | 156.6 | 0 | 0 | 0 | 113.5 | | |
| 32 | S | 38.3 | Very low | 42.2 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -72 | 128.3 | 171.7 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 33 | V | 33.5 | Very low | 40.9 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -131.9 | 114.3 | 152.5 | 173.8 | 0 | 0 | 0 | 0 | 104.5 | | |
| 34 | G | 37.3 | Very low | 40.4 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 82% | 0.819 | S | S | * | * | | | trans | -80.9 | 148 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 35 | E | 33.7 | Very low | 39.4 | Very low | 199 Ų | 199 | 131.6 Ų | 131.6 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | | | trans | -167.6 | 129.9 | 132.2 | -154.6 | 145.5 | 163.5 | 0 | 0 | 110.7 | | |
| 36 | G | 37.9 | Very low | 38.3 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 82% | 0.822 | S | S | * | * | | | trans | 81.7 | 100.3 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 37 | T | 39 | Very low | 37.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | | | | 75 | 112.5 | 129.8 | -35.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 38 | G | 35 | Very low | 37.3 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | 169.9 | 92.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 39 | V | 41.3 | Very low | 37.4 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | | | trans | -67.4 | 124.7 | 177.9 | 171.8 | 0 | 0 | 0 | 0 | 113 | | |
| 40 | R | 36.9 | Very low | 37.4 | Very low | 244 Ų | 244 | 135.9 Ų | 135.9 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | | | | -173.4 | 148.2 | 125 | -119.7 | 171.8 | -81.9 | -165.1 | -4.3 | 115.3 | | |
| 41 | A | 31.8 | Very low | 37.4 | Very low | 89 Ų | 89 | 139.4 Ų | 139.4 | 74% | 0.736 | 82% | 0.819 | S | S | * | * | | | trans | -74.3 | 168.3 | -165.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 42 | P | 42.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 137 Ų | 137 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -96.3 | 145 | 179.9 | 36.6 | -30 | 0 | 0 | 0 | 113.2 | | |
| 43 | V | 35.5 | Very low | 38 | Very low | 138 Ų | 138 | 140 Ų | 140 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | | | trans | -138.4 | 106.5 | 171.7 | 179.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 44 | R | 38.8 | Very low | 38.1 | Very low | 233 Ų | 233 | 139.9 Ų | 139.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | 32.9 | 133.8 | 142.5 | -62.7 | -175.4 | 171.3 | 159.1 | -1.5 | 123.7 | | |
| 45 | T | 33.7 | Very low | 38.2 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | | | trans | -25.1 | 142.3 | 149 | 50.8 | 0 | 0 | 0 | 0 | 119 | | |
| 46 | A | 31.4 | Very low | 38.4 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -156.3 | 130.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 47 | T | 41.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | | | trans | -77.4 | 140.6 | 167.1 | 43.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 48 | D | 34.9 | Very low | 38.7 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 78% | 0.775 | 81% | 0.814 | S | S | * | * | | | trans | -151.4 | 121.4 | 158.2 | -164.5 | -105.2 | 0 | 0 | 0 | 111.2 | T50 | D48-T50 PolarHBondContact OD1-OG1 3.44Å; D48-T50 VanDerWaalsContact OD1-OG1 3.12Å |
| 49 | D | 42 | Very low | 39.3 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -86.1 | 120.6 | 170.6 | -100 | -77.8 | 0 | 0 | 0 | 108.7 | | |
| 50 | T | 36.8 | Very low | 39.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | | | trans | -148.9 | 118.6 | 162.2 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | D48 | D48-T50 PolarHBondContact OD1-OG1 3.44Å; D48-T50 VanDerWaalsContact OD1-OG1 3.12Å |
| 51 | K | 43 | Very low | 39.6 | Very low | 177 Ų | 177 | 138 Ų | 138 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | | | trans | -78.3 | 144.8 | 166.2 | -174.1 | -175.7 | -176.2 | 176.6 | 0 | 110 | | |
| 52 | P | 45.2 | Very low | 40.5 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | | | | -143.1 | 162.7 | 121.1 | 26.9 | -6.8 | 0 | 0 | 0 | 114.9 | | |
| 53 | K | 45.4 | Very low | 40.8 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -107.5 | 122.7 | -175.7 | 169.2 | 178.7 | -177.7 | 174 | 0 | 108.5 | | |
| 54 | T | 36.2 | Very low | 41 | Very low | 141 Ų | 141 | 145.4 Ų | 145.4 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | | | trans | -160.2 | 130.4 | 156 | -39.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 55 | T | 40.2 | Very low | 41.6 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | | | trans | -59.1 | 142 | 166.7 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 56 | C | 37.1 | Very low | 42.3 | Very low | 132 Ų | 132 | 139.6 Ų | 139.6 | 89% | 0.892 | 81% | 0.808 | S | S | * | * | | | trans | -144.3 | 115.9 | 156 | -116.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 57 | A | 41.5 | Very low | 43.5 | Very low | 98 Ų | 98 | 145.9 Ų | 145.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -75.9 | 141.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 58 | S | 41.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 149.5 Ų | 149.5 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | trans | -134.2 | 132.5 | 156.5 | -163.2 | 0 | 0 | 0 | 0 | 110 | D60 | S58-D60 PolarHBondContact OG-OD2 3.15Š|
| 59 | K | 48.9 | Very low | 44.6 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | | | trans | -114 | 110.1 | -174.4 | 166.4 | -170.1 | 171.5 | -169.6 | 0 | 105.9 | | |
| 60 | D | 43.3 | Very low | 45.2 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | trans | -142.4 | 97.3 | 168 | -67.8 | -65.4 | 0 | 0 | 0 | 107.5 | S58 | S58-D60 PolarHBondContact OG-OD2 3.15Š|
| 61 | S | 39.9 | Very low | 46 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | | 80.4 | 71 | 90.2 | -165 | 0 | 0 | 0 | 0 | 112 | H63 | S61-H63 PolarHBondContact O-N 3.11Š|
| 62 | W | 50.7 | Low | 46.4 | Very low | 240 Ų | 240 | 145.6 Ų | 145.6 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -89.5 | 87.5 | 170.1 | -75 | 102 | 0 | 0 | 0 | 110.3 | | |
| 63 | H | 49.6 | Very low | 46.5 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | | | trans | -142.6 | 100.8 | 162.7 | -71.2 | -59.9 | 0 | 0 | 0 | 111.4 | S61 | S61-H63 PolarHBondContact O-N 3.11Š|
| 64 | G | 39.3 | Very low | 46.8 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | | | trans | -146.3 | 32.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T66 | G64-T66 PolarHBondContact O-N 3.04Š|
| 65 | S | 51 | Low | 48 | Very low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -82.9 | 101.8 | 169 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 66 | T | 47.9 | Very low | 48.2 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | | | trans | -133.1 | 100.2 | 165.7 | 36.7 | 0 | 0 | 0 | 0 | 111.1 | G64 | G64-T66 PolarHBondContact O-N 3.04Š|
| 67 | R | 57 | Low | 48.6 | Very low | 234 Ų | 234 | 149.9 Ų | 149.9 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | | | trans | 47.4 | 120.4 | 139.2 | -52.4 | -178.2 | -169.2 | -108.8 | 1.1 | 118.3 | | |
| 68 | K | 50.3 | Low | 49.2 | Very low | 216 Ų | 216 | 153.9 Ų | 153.9 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | | | trans | -134.3 | 132.3 | 136.4 | -95.1 | 151.5 | -173.1 | 175.5 | 0 | 109.5 | | |
| 69 | S | 49.7 | Very low | 49.8 | Very low | 92 Ų | 92 | 159.5 Ų | 159.5 | 64% | 0.643 | 82% | 0.817 | S | S | * | * | | | trans | -74.7 | 139.1 | -172.7 | 105.1 | 0 | 0 | 0 | 0 | 110.6 | R71 | S69-R71 PolarHBondContact O-N 3.07Š|
| 70 | S | 54.2 | Low | 50.3 | Low | 121 Ų | 121 | 159.3 Ų | 159.3 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -66.1 | 114.5 | 160.5 | 44 | 0 | 0 | 0 | 0 | 108.6 | | |
| 71 | R | 55 | Low | 50.9 | Low | 224 Ų | 224 | 163 Ų | 163 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -120.5 | 119.5 | 155.7 | -78.7 | -174.5 | -162.1 | -101.3 | 0.6 | 106.9 | S69 A73 | S69-R71 PolarHBondContact O-N 3.07Å; R71-A73 PolarHBondContact O-N 3.31Å |
| 72 | G | 50.5 | Low | 51.7 | Low | 80 Ų | 80 | 163.1 Ų | 163.1 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 73 | A | 46.8 | Very low | 52.1 | Low | 95 Ų | 95 | 161.5 Ų | 161.5 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 123.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | R71 R75 | R71-A73 PolarHBondContact O-N 3.31Å; A73-R75 PolarHBondContact O-N 3.17Å |
| 74 | V | 53 | Low | 52.5 | Low | 128 Ų | 128 | 156.2 Ų | 156.2 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 123.9 | 168.7 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | T76 | V74-T76 PolarHBondContact O-N 3.42Š|
| 75 | R | 60.4 | Low | 53.4 | Low | 251 Ų | 251 | 157.7 Ų | 157.7 | 95% | 0.947 | 80% | 0.796 | S | S | * | * | | | trans | -64.3 | 97.4 | 174.3 | -73.1 | 171.6 | 105 | 161.2 | 3.6 | 109 | A73 | A73-R75 PolarHBondContact O-N 3.17Š|
| 76 | T | 45.6 | Very low | 53.8 | Low | 131 Ų | 131 | 157.7 Ų | 157.7 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -79.4 | 121.8 | 165.2 | 52.4 | 0 | 0 | 0 | 0 | 109.6 | V74 | V74-T76 PolarHBondContact O-N 3.42Š|
| 77 | Q | 45.6 | Very low | 54.6 | Low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -44.1 | 127.5 | 179.3 | -174.3 | 170.9 | -11.6 | 0 | 0 | 113.9 | R79 | Q77-R79 PolarHBondContact O-N 3.48Š|
| 78 | R | 52.7 | Low | 54.7 | Low | 183 Ų | 183 | 155.6 Ų | 155.6 | 69% | 0.691 | 79% | 0.786 | S | S | * | * | | | trans | -43.7 | 100.3 | 171.7 | -178.4 | -178.3 | -177.3 | -113.8 | 18.6 | 112.1 | R80 | R78-R80 HydrophobicContact CG-CG 4.15Š|
| 79 | R | 54.1 | Low | 55.3 | Low | 226 Ų | 226 | 150.2 Ų | 150.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -100.8 | 86.2 | 155.9 | -88.7 | -172.7 | 166.1 | -109.1 | -0.4 | 109 | Q77 R81 | Q77-R79 PolarHBondContact O-N 3.48Å; R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 3.31Å |
| 80 | R | 59.5 | Low | 56 | Low | 195 Ų | 195 | 150.6 Ų | 150.6 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -60.5 | 93.1 | 158.5 | -83.6 | -169.9 | 163.3 | -169.1 | 0.5 | 108.6 | R78 | R78-R80 HydrophobicContact CG-CG 4.15Š|
| 81 | R | 56.9 | Low | 56.3 | Low | 209 Ų | 209 | 154.3 Ų | 154.3 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | | | trans | -152 | 93.4 | 153.3 | -75 | -162.1 | 176.6 | -96.5 | 0.7 | 107.8 | R79 K83 | R79-R81 VanDerWaalsContact C-N 3.3Å; R79-R81 PolarHBondContact O-N 3.31Å; R81-K83 PolarHBondContact O-N 3.2Å; R81-K83 VanDerWaalsContact O-N 3.15Å |
| 82 | S | 56.7 | Low | 56.7 | Low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -57.3 | 115.4 | 153.8 | 44.9 | 0 | 0 | 0 | 0 | 106.4 | S84 | S82-S84 PolarHBondContact O-N 3.09Å; S82-S84 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 58 | Low | 57.3 | Low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | | | trans | -81.6 | 61.1 | 166.7 | -71.4 | 173.3 | 175 | 179 | 0 | 107.8 | R81 | R81-K83 PolarHBondContact O-N 3.2Å; R81-K83 VanDerWaalsContact O-N 3.15Å |
| 84 | S | 58 | Low | 57.7 | Low | 79 Ų | 79 | 158.4 Ų | 158.4 | 55% | 0.552 | 77% | 0.766 | S | S | * | * | | | trans | -76.8 | 132.9 | 154.8 | 41 | 0 | 0 | 0 | 0 | 106.2 | S82 V86 | S82-S84 PolarHBondContact O-N 3.09Å; S82-S84 VanDerWaalsContact O-N 3.09Å; S84-V86 PolarHBondContact O-N 3.37Å |
| 85 | P | 57.8 | Low | 57.5 | Low | 107 Ų | 107 | 157.8 Ų | 157.8 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -52.2 | 130.3 | 162.7 | -16.5 | 28.6 | 0 | 0 | 0 | 106.5 | L87 | P85-L87 PolarHBondContact O-N 3.47Š|
| 86 | V | 60.7 | Low | 56.8 | Low | 122 Ų | 122 | 150.2 Ų | 150.2 | 74% | 0.739 | 75% | 0.751 | S | S | * | * | | | trans | -65 | 93.2 | 171.5 | 177.7 | 0 | 0 | 0 | 0 | 105.6 | S84 H88 | S84-V86 PolarHBondContact O-N 3.37Å; V86-H88 VanDerWaalsContact C-N 3.34Å; V86-H88 PolarHBondContact O-N 3.18Å |
| 87 | L | 64 | Low | 57 | Low | 154 Ų | 154 | 151.1 Ų | 151.1 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | -66.7 | 103.9 | 168 | -73 | 174.5 | 0 | 0 | 0 | 105.2 | P85 | P85-L87 PolarHBondContact O-N 3.47Š|
| 88 | H | 60.1 | Low | 57.2 | Low | 159 Ų | 159 | 149.4 Ų | 149.4 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 130.6 | 166.6 | -86.9 | -76.4 | 0 | 0 | 0 | 107.6 | V86 | V86-H88 VanDerWaalsContact C-N 3.34Å; V86-H88 PolarHBondContact O-N 3.18Å |
| 89 | P | 62.1 | Low | 56.8 | Low | 103 Ų | 103 | 144.9 Ų | 144.9 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 141.4 | 173.6 | 23.3 | -31.2 | 0 | 0 | 0 | 108.8 | K91 | P89-K91 PolarHBondContact O-N 2.79Š|
| 90 | P | 65.1 | Low | 56.3 | Low | 99 Ų | 99 | 139.5 Ų | 139.5 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 127.4 | 176.9 | -20.5 | 30.1 | 0 | 0 | 0 | 109.3 | F92 | P90-F92 WeakPolarHBondContact O-CD2 2.98Å; P90-F92 PolarHBondContact O-N 3.05Å |
| 91 | K | 60.8 | Low | 55.3 | Low | 199 Ų | 199 | 136 Ų | 136 | 87% | 0.865 | 76% | 0.756 | S | S | * | * | | | trans | -71.8 | 99.5 | 171 | -70.5 | 178.9 | 178.4 | 166.4 | 0 | 107 | P89 I93 | P89-K91 PolarHBondContact O-N 2.79Å; K91-I93 PolarHBondContact O-N 3.21Å; K91-I93 VanDerWaalsContact O-N 3.09Å |
| 92 | F | 61.8 | Low | 54.8 | Low | 175 Ų | 175 | 131.1 Ų | 131.1 | 77% | 0.768 | 75% | 0.754 | S | S | * | * | | | trans | -64.1 | 109.2 | 168.8 | -66.1 | -84.2 | 0 | 0 | 0 | 107.8 | P90 H94 | P90-F92 WeakPolarHBondContact O-CD2 2.98Å; P90-F92 PolarHBondContact O-N 3.05Å; F92-H94 PolarHBondContact O-N 3.26Å |
| 93 | I | 64 | Low | 53.8 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -80.1 | 108.6 | 167.1 | -57.8 | -177.4 | 0 | 0 | 0 | 105.5 | K91 C95 | K91-I93 PolarHBondContact O-N 3.21Å; K91-I93 VanDerWaalsContact O-N 3.09Å; I93-C95 PolarHBondContact O-N 2.97Å; I93-C95 VanDerWaalsContact O-N 3.08Å |
| 94 | H | 55.4 | Low | 53.2 | Low | 165 Ų | 165 | 128.2 Ų | 128.2 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -69.3 | 103.2 | 168.8 | -76.4 | -85.8 | 0 | 0 | 0 | 108.2 | F92 S96 | F92-H94 PolarHBondContact O-N 3.26Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.12Å |
| 95 | C | 48.9 | Very low | 52.3 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | | | trans | -72.2 | 88.7 | 165.1 | -64.3 | 0 | 0 | 0 | 0 | 107.8 | I93 T97 | I93-C95 PolarHBondContact O-N 2.97Å; I93-C95 VanDerWaalsContact O-N 3.08Å; C95-T97 PolarHBondContact O-N 2.74Å |
| 96 | S | 45.2 | Very low | 51.8 | Low | 92 Ų | 92 | 134.7 Ų | 134.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | -65.8 | 120.8 | 162.6 | -59.6 | 0 | 0 | 0 | 0 | 107.9 | H94 I98 | H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.12Å; S96-I98 VanDerWaalsContact C-N 3.34Å; S96-I98 PolarHBondContact O-N 3.45Å |
| 97 | T | 49.3 | Very low | 50.7 | Low | 149 Ų | 149 | 138.8 Ų | 138.8 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | | | trans | -61.5 | 95.2 | 171.6 | -46.5 | 0 | 0 | 0 | 0 | 108.7 | C95 | C95-T97 PolarHBondContact O-N 2.74Š|
| 98 | I | 51.1 | Low | 49.6 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -131.5 | 124.7 | 166.6 | -37.7 | 177.4 | 0 | 0 | 0 | 106.6 | S96 S100 | S96-I98 VanDerWaalsContact C-N 3.34Å; S96-I98 PolarHBondContact O-N 3.45Å; I98-S100 PolarHBondContact O-N 3.47Å |
| 99 | A | 43.5 | Very low | 48.6 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | | | trans | -52 | 132.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 100 | S | 44.2 | Very low | 47.4 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 29.1 | 116.4 | 155 | 56.9 | 0 | 0 | 0 | 0 | 119.5 | I98 | I98-S100 PolarHBondContact O-N 3.47Š|
| 101 | S | 37.7 | Very low | 45.9 | Very low | 122 Ų | 122 | 145.7 Ų | 145.7 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | | -163.8 | 140.1 | 120.9 | 67.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 102 | S | 46.3 | Very low | 44.5 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | -70.9 | 127.6 | 173.6 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 103 | N | 35.9 | Very low | 42.9 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | | | | -179.3 | 128.8 | 125.1 | -112.1 | -25.5 | 0 | 0 | 0 | 112.6 | | |
| 104 | S | 45 | Very low | 41.7 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | -70.3 | 131.3 | 162.9 | 51.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 105 | Q | 40.4 | Very low | 41.2 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | | | trans | -157.7 | 121.5 | 139.9 | -85.6 | -49.9 | -24.6 | 0 | 0 | 110.9 | | |
| 106 | L | 46.8 | Very low | 40.5 | Very low | 141 Ų | 141 | 138 Ų | 138 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | 141.8 | 169.2 | -72.8 | 142.9 | 0 | 0 | 0 | 111 | | |
| 107 | K | 37.8 | Very low | 39.8 | Very low | 207 Ų | 207 | 137 Ų | 137 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | | | trans | -156.9 | 101.9 | 150.5 | -126.2 | 172.2 | 166.2 | -175.9 | 0 | 111.9 | | |
| 108 | H | 40.7 | Very low | 39.2 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -68.9 | 140.2 | 165.4 | -72.4 | -101.1 | 0 | 0 | 0 | 110.5 | | |
| 109 | K | 39.3 | Very low | 38.5 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -148.1 | 115 | 148.5 | -160.2 | 79.9 | 83.2 | 179.6 | 0 | 109.9 | | |
| 110 | S | 36.5 | Very low | 38 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -102.5 | 137.5 | 168 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 111 | Q | 33.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 136.8 Ų | 136.8 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 171.8 | 149.2 | 153.1 | -101.6 | -168.6 | 4.4 | 0 | 0 | 107.3 | | |
| 112 | T | 31.1 | Very low | 37.5 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | | | cis | 178 | 142.3 | -15.5 | -88.9 | 0 | 0 | 0 | 0 | 105.1 | | |
| 113 | D | 28.8 | Very low | 37.1 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | 27.4 | 138.9 | 155.3 | -90.6 | -47 | 0 | 0 | 0 | 121.3 | | |
| 114 | S | 38.8 | Very low | 37 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | cis | 177.4 | -176 | 49.3 | 76 | 0 | 0 | 0 | 0 | 110 | | |
| 115 | P | 45.3 | Very low | 36.6 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | | | trans | -112.3 | 178.1 | -149.2 | 44.4 | -38.7 | 0 | 0 | 0 | 118.9 | | |
| 116 | D | 34.2 | Very low | 36.4 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | 71.9 | 133.2 | 151.3 | -67.2 | -31.2 | 0 | 0 | 0 | 121.9 | | |
| 117 | G | 29.9 | Very low | 35.7 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | trans | 160.6 | 73.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 118 | S | 36.3 | Very low | 35.6 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | 52.6 | 119.9 | 131.7 | 156.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 119 | S | 36.5 | Very low | 35 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 81% | 0.807 | S | S | * | * | | | trans | 79.7 | 127.2 | 130.5 | -50.3 | 0 | 0 | 0 | 0 | 121 | | |
| 120 | G | 32.7 | Very low | 34.6 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | | | trans | 171.9 | 91.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 121 | L | 40.2 | Very low | 34.3 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 97% | 0.969 | 80% | 0.8 | S | S | * | * | | | trans | -56.6 | 140.7 | 169.6 | -74.4 | 152.6 | 0 | 0 | 0 | 111.6 | | |
| 122 | G | 32.3 | Very low | 34 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -170.9 | 92.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 123 | I | 36 | Very low | 33.9 | Very low | 166 Ų | 166 | 129 Ų | 129 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -80 | 132.1 | 169.7 | -58.9 | 162.6 | 0 | 0 | 0 | 107.5 | | |
| 124 | S | 34.8 | Very low | 33.9 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -148.3 | 121.8 | 151.7 | 58 | 0 | 0 | 0 | 0 | 110.3 | | |
| 125 | T | 36.3 | Very low | 33.7 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 76% | 0.761 | 80% | 0.795 | S | S | * | * | | | trans | -56 | 166.2 | 167.1 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 126 | P | 35.9 | Very low | 32.8 | Very low | 129 Ų | 129 | 128.1 Ų | 128.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -128.6 | 147.5 | 133.3 | 27 | -11.3 | 0 | 0 | 0 | 113.4 | | |
| 127 | K | 32.6 | Very low | 32.7 | Very low | 201 Ų | 201 | 125.2 Ų | 125.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -77.7 | 140.8 | -172.4 | -176.8 | 168.9 | 176 | 171.8 | 0 | 111.2 | | |
| 128 | E | 35.2 | Very low | 33 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -49.6 | 142.5 | 164.5 | -177.4 | -179.5 | 179.6 | 0 | 0 | 114 | | |
| 129 | F | 27.8 | Very low | 32.6 | Very low | 206 Ų | 206 | 131.5 Ų | 131.5 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | trans | -153.1 | 131.3 | 136.4 | -151.9 | -100.8 | 0 | 0 | 0 | 110.6 | | |
| 130 | S | 32.1 | Very low | 32.5 | Very low | 83 Ų | 83 | 130.2 Ų | 130.2 | 58% | 0.58 | 80% | 0.799 | S | S | * | * | | | trans | -102.4 | 169.9 | 177 | -68.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 131 | A | 29.3 | Very low | 32.6 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 88% | 0.884 | 79% | 0.792 | S | S | * | * | | | trans | 108.6 | 137.5 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 132 | G | 27.2 | Very low | 32.4 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | | | trans | 112.7 | 82.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 133 | E | 29.2 | Very low | 32.3 | Very low | 188 Ų | 188 | 135 Ų | 135 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | | 79.7 | 117.1 | 84.2 | -69.3 | -178.1 | 163.9 | 0 | 0 | 115.7 | | |
| 134 | S | 29.3 | Very low | 31.9 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | 74 | 110.1 | 131.9 | -53.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 135 | S | 34.2 | Very low | 31.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | 33.3 | 129.8 | 132.8 | 62.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 136 | T | 27.5 | Very low | 31.4 | Very low | 132 Ų | 132 | 130 Ų | 130 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -168.1 | 108.3 | 141.4 | 23.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 137 | S | 31.3 | Very low | 31.3 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | | 44.4 | 108.8 | 94 | 76 | 0 | 0 | 0 | 0 | 115.7 | | |
| 138 | L | 37.4 | Very low | 31.3 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 98% | 0.979 | 77% | 0.772 | S | S | * | * | | | trans | -134.7 | 132.4 | 149.1 | -84.7 | 175.5 | 0 | 0 | 0 | 110 | | |
| 139 | D | 28.2 | Very low | 31.4 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | | | trans | -98.1 | 152.9 | -169.4 | -167.5 | -4.1 | 0 | 0 | 0 | 109.4 | N141 | D139-N141 PolarHBondContact OD1-ND2 3.31Å; D139-N141 PolarHBondContact OD2-ND2 3.32Å |
| 140 | A | 34.3 | Very low | 31.5 | Very low | 93 Ų | 93 | 122 Ų | 122 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | | | trans | -146.3 | 80.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 141 | N | 33.8 | Very low | 31.3 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 66% | 0.658 | 78% | 0.779 | S | S | * | * | | | trans | -62.1 | 138 | 167.6 | -72 | -72.4 | 0 | 0 | 0 | 111.9 | D139 | D139-N141 PolarHBondContact OD1-ND2 3.31Å; D139-N141 PolarHBondContact OD2-ND2 3.32Å |
| 142 | H | 35.9 | Very low | 31.1 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | | | trans | -128.4 | 108.2 | 147.8 | 47.6 | -79.5 | 0 | 0 | 0 | 108.3 | | |
| 143 | T | 30.5 | Very low | 31.2 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | -78.4 | 126.8 | 175 | -53.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 144 | G | 28.1 | Very low | 31.2 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | | 94.9 | 144.5 | 95.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 145 | A | 28.1 | Very low | 31.1 | Very low | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | | | cis | -162.1 | 139 | 18.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 146 | V | 31.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | | 68.9 | 121 | 106.5 | -175.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 147 | V | 34.2 | Very low | 31 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | | 176.3 | 115.9 | 118.4 | 163 | 0 | 0 | 0 | 0 | 108.6 | | |
| 148 | E | 32.3 | Very low | 31 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | -82.6 | 154.1 | 160.3 | -154.5 | -147.8 | 137 | 0 | 0 | 108.6 | L150 | E148-L150 PolarHBondContact OE1-N 3.15Š|
| 149 | P | 36.5 | Very low | 30.4 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | | -150 | 133.1 | 97.9 | 30.9 | -10.4 | 0 | 0 | 0 | 116.2 | | |
| 150 | L | 30.3 | Very low | 30.4 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | | | trans | 14.6 | 118 | 136.1 | -154.4 | 73.9 | 0 | 0 | 0 | 119 | E148 | E148-L150 PolarHBondContact OE1-N 3.15Š|
| 151 | R | 28.1 | Very low | 30.2 | Very low | 244 Ų | 244 | 139.4 Ų | 139.4 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -146.3 | 114.7 | 134.9 | -77.8 | -143.2 | -174 | -172.1 | 6.8 | 113.4 | | |
| 152 | T | 25.7 | Very low | 30 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -20 | 128.9 | 150 | -37.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 153 | S | 28.2 | Very low | 30 | Very low | 120 Ų | 120 | 144 Ų | 144 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | -152 | 132.6 | 140.4 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 154 | V | 29.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | trans | -81.5 | 153.1 | -175 | 167.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 155 | P | 27.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 81% | 0.809 | S | S | * | * | | | trans | -68.5 | 135.3 | -177.4 | -14.7 | 29.9 | 0 | 0 | 0 | 112.3 | | |
| 156 | R | 27.1 | Very low | 30.4 | Very low | 237 Ų | 237 | 151.9 Ų | 151.9 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | | | trans | -110.6 | 107.3 | 171.7 | -168.9 | 171.4 | -176 | 153.5 | 0.1 | 110.2 | | |
| 157 | L | 32.5 | Very low | 30.6 | Very low | 161 Ų | 161 | 150.7 Ų | 150.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -69.2 | 145.9 | 157.3 | -83.9 | 156.9 | 0 | 0 | 0 | 110.1 | | |
| 158 | P | 31.5 | Very low | 30.4 | Very low | 110 Ų | 110 | 151.5 Ų | 151.5 | 71% | 0.714 | 81% | 0.81 | S | S | * | * | | | trans | -127.9 | 123.8 | 130.3 | 17.8 | 1.4 | 0 | 0 | 0 | 109.5 | | |
| 159 | S | 26.2 | Very low | 30.4 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | | 75.2 | 122.7 | 88.8 | -174.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 160 | E | 27.9 | Very low | 30.3 | Very low | 187 Ų | 187 | 148 Ų | 148 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | -64.2 | 151.2 | -166.6 | -53.6 | 170.1 | 118.2 | 0 | 0 | 115.6 | | |
| 161 | S | 29.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -170.4 | 121.7 | 132.9 | 45 | 0 | 0 | 0 | 0 | 113.8 | | |
| 162 | K | 30 | Very low | 31.1 | Very low | 203 Ų | 203 | 143.7 Ų | 143.7 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | 30.5 | 114.4 | 138.2 | -126.4 | 171.7 | 179.2 | -179.9 | 0 | 121 | | |
| 163 | K | 34.3 | Very low | 31.8 | Very low | 198 Ų | 198 | 142.4 Ų | 142.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | trans | 30.5 | 115.7 | 130.1 | -115.3 | -176.9 | -178.5 | -171.9 | 0 | 118.1 | | |
| 164 | E | 30.2 | Very low | 32.8 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | | -171.4 | 151.4 | 120.3 | -108.3 | 170.4 | 152.2 | 0 | 0 | 112.3 | | |
| 165 | D | 30.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -51.3 | 142.9 | -175.8 | -81.5 | -60.8 | 0 | 0 | 0 | 115.6 | | |
| 166 | S | 34.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -158.9 | 97.5 | 153.4 | 168.6 | 0 | 0 | 0 | 0 | 109 | D168 | S166-D168 PolarHBondContact O-N 3.5Š|
| 167 | S | 35.7 | Very low | 36 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | -65.9 | 122.2 | 173.3 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 168 | D | 30.9 | Very low | 37.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 76% | 0.755 | S | S | * | * | | | trans | -133.2 | 66.9 | 153.3 | -159.9 | 5.5 | 0 | 0 | 0 | 108.6 | S166 T170 | S166-D168 PolarHBondContact O-N 3.5Å; D168-T170 PolarHBondContact O-N 3.47Å |
| 169 | A | 32.4 | Very low | 38.4 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 60% | 0.603 | 76% | 0.758 | S | S | * | * | | | trans | -81.7 | 103.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q171 | A169-Q171 HydrophobicContact CB-CG 4.49Å; A169-Q171 PolarHBondContact O-N 3.09Å |
| 170 | T | 33.5 | Very low | 39.9 | Very low | 119 Ų | 119 | 132 Ų | 132 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | -61.4 | 87.4 | 159.7 | -57.4 | 0 | 0 | 0 | 0 | 107.3 | D168 V172 | D168-T170 PolarHBondContact O-N 3.47Å; T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 HydrophobicContact CG2-CG2 4.3Å; T170-V172 PolarHBondContact O-N 2.97Å |
| 171 | Q | 40 | Very low | 41.4 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | | | trans | -66.4 | 92.5 | 171.3 | -73 | -176.9 | 0.6 | 0 | 0 | 107.6 | A169 S173 | A169-Q171 HydrophobicContact CB-CG 4.49Å; A169-Q171 PolarHBondContact O-N 3.09Å; Q171-S173 PolarHBondContact O-N 3.36Å; Q171-S173 VanDerWaalsContact O-N 3.12Å |
| 172 | V | 35.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 71% | 0.709 | 71% | 0.708 | S | S | * | * | | | trans | -74.7 | 101.4 | 160.1 | -179.3 | 0 | 0 | 0 | 0 | 106 | T170 Q174 | T170-V172 VanDerWaalsContact C-N 3.33Å; T170-V172 HydrophobicContact CG2-CG2 4.3Å; T170-V172 PolarHBondContact O-N 2.97Å; V172-Q174 PolarHBondContact O-N 3.44Å; V172-Q174 VanDerWaalsContact O-N 3.17Å |
| 173 | S | 41.1 | Very low | 44.5 | Very low | 93 Ų | 93 | 120.7 Ų | 120.7 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | trans | -52.3 | 118.2 | -179.5 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | Q171 A175 | Q171-S173 PolarHBondContact O-N 3.36Å; Q171-S173 VanDerWaalsContact O-N 3.12Å; S173-A175 PolarHBondContact O-N 3.19Å |
| 174 | Q | 49.3 | Very low | 46.6 | Very low | 198 Ų | 198 | 115 Ų | 115 | 93% | 0.925 | 68% | 0.678 | S | S | * | * | | | trans | -76.7 | 44.7 | 168.2 | -153.9 | -179.2 | 13.5 | 0 | 0 | 110.1 | V172 | V172-Q174 PolarHBondContact O-N 3.44Å; V172-Q174 VanDerWaalsContact O-N 3.17Å |
| 175 | A | 45.4 | Very low | 48.8 | Very low | 79 Ų | 79 | 114 Ų | 114 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | | | trans | -113.3 | 111.7 | -176 | 0 | 0 | 0 | 0 | 0 | 109.2 | S173 | S173-A175 PolarHBondContact O-N 3.19Š|
| 176 | S | 53.6 | Low | 50.8 | Low | 95 Ų | 95 | 111.8 Ų | 111.8 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | | | trans | 75.6 | 68.8 | 175 | -170.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 177 | L | 50.6 | Low | 52.9 | Low | 99 Ų | 99 | 108.2 Ų | 108.2 | 52% | 0.518 | 63% | 0.632 | S | S | . | * | | | trans | -98.3 | 122.1 | 153.4 | -64.9 | 176.9 | 0 | 0 | 0 | 108.5 | L191 | L177-L191 HydrophobicContact CD1-CD2 4.03Š|
| 178 | K | 56.8 | Low | 54.7 | Low | 132 Ų | 132 | 105.2 Ų | 105.2 | 57% | 0.574 | 61% | 0.608 | S | S | * | * | | | trans | -74.5 | 143.4 | 173 | -68.7 | -71.9 | 110.1 | 175.2 | 0 | 107.9 | S180 D181 | K178-S180 WeakPolarHBondContact CB-OG 3.2Å; K178-S180 PolarHBondContact O-N 3.08Å; K178-D181 PolarHBondContact O-N 3.4Å |
| 179 | A | 57.4 | Low | 56.7 | Low | 92 Ų | 92 | 100.9 Ų | 100.9 | 76% | 0.76 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -56.4 | -22.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D181 | A179-D181 VanDerWaalsContact C-N 3.34Š|
| 180 | S | 58.2 | Low | 58.9 | Low | 80 Ų | 80 | 102.7 Ų | 102.7 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -62.7 | -35.6 | 172.6 | 52 | 0 | 0 | 0 | 0 | 113.5 | K178 L182 S183 | K178-S180 WeakPolarHBondContact CB-OG 3.2Å; K178-S180 PolarHBondContact O-N 3.08Å; S180-L182 PolarHBondContact O-N 3.2Å; S180-S183 WeakPolarHBondContact O-CB 3.37Å; S180-S183 PolarHBondContact O-N 2.84Å |
| 181 | D | 59.6 | Low | 61 | Low | 79 Ų | 79 | 100.5 Ų | 100.5 | 42% | 0.422 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -78.2 | -13.3 | -171.7 | -55.8 | -23.1 | 0 | 0 | 0 | 112 | K178 A179 S187 | K178-D181 PolarHBondContact O-N 3.4Å; A179-D181 VanDerWaalsContact C-N 3.34Å; D181-S187 WeakPolarHBondContact O-CB 3.37Å |
| 182 | L | 58.3 | Low | 62.5 | Low | 91 Ų | 91 | 96.1 Ų | 96.1 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -99.6 | -3.8 | 173.9 | -59.9 | 179.3 | 0 | 0 | 0 | 112.8 | S180 V188 L191 | S180-L182 PolarHBondContact O-N 3.2Å; L182-V188 HydrophobicContact CD2-CG1 4.02Å; L182-L191 HydrophobicContact CD2-CD2 4.38Å |
| 183 | S | 67.1 | Low | 64.3 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -78 | -19.2 | -172.5 | -169.7 | 0 | 0 | 0 | 0 | 113.7 | S180 | S180-S183 WeakPolarHBondContact O-CB 3.37Å; S180-S183 PolarHBondContact O-N 2.84Å |
| 184 | D | 78.6 | Confident | 65.7 | Low | 77 Ų | 77 | 96.2 Ų | 96.2 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -115.4 | 135.1 | -178.1 | -175.7 | 8.3 | 0 | 0 | 0 | 111 | Q186 S187 V188 | D184-Q186 PolarHBondContact O-N 3.3Å; D184-Q186 PolarHBondContact OD1-N 3.35Å; D184-S187 PolarHBondContact O-N 3.02Å; D184-V188 PolarHBondContact O-N 2.06Å; D184-V188 VanDerWaalsContact O-N 3.15Å |
| 185 | F | 74.4 | Confident | 67.1 | Low | 172 Ų | 172 | 91.7 Ų | 91.7 | 75% | 0.754 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55.4 | -31.3 | 175 | -70.1 | -77.8 | 0 | 0 | 0 | 112.1 | V188 S189 | F185-V188 WeakPolarHBondContact O-CG2 3.18Å; F185-S189 WeakPolarHBondContact O-CB 3.45Å; F185-S189 PolarHBondContact O-N 3.29Å; F185-S189 VanDerWaalsContact O-N 3.08Å; F185-S189 PolarHBondContact O-OG 3.05Å |
| 186 | Q | 74.7 | Confident | 68.6 | Low | 108 Ų | 108 | 93.5 Ų | 93.5 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -34.2 | 175.4 | -161.3 | -169.4 | 28.5 | 0 | 0 | 112.8 | D184 S189 K190 | D184-Q186 PolarHBondContact O-N 3.3Å; D184-Q186 PolarHBondContact OD1-N 3.35Å; Q186-S189 PolarHBondContact O-OG 2.77Å; Q186-K190 VanDerWaalsContact O-CG 3.29Å; Q186-K190 WeakPolarHBondContact O-CG 3.34Å; Q186-K190 PolarHBondContact O-N 2.07Å; Q186-K190 VanDerWaalsContact O-N 3.09Å |
| 187 | S | 77.8 | Confident | 70 | Confident | 41 Ų | 41 | 91.5 Ų | 91.5 | 29% | 0.287 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.3 | -40 | -178.3 | -59.7 | 0 | 0 | 0 | 0 | 111.2 | D181 D184 S189 K190 L191 | D181-S187 WeakPolarHBondContact O-CB 3.37Å; D184-S187 PolarHBondContact O-N 3.02Å; S187-S189 VanDerWaalsContact C-N 3.33Å; S187-S189 PolarHBondContact O-N 3.38Å; S187-K190 PolarHBondContact O-N 3.32Å; S187-L191 PolarHBondContact O-N 3.17Å; S187-L191 VanDerWaalsContact O-N 3.09Å |
| 188 | V | 73.2 | Confident | 71.6 | Confident | 47 Ų | 47 | 93.6 Ų | 93.6 | 29% | 0.285 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -32.1 | 172 | -65.5 | 0 | 0 | 0 | 0 | 112.5 | L182 D184 F185 N192 | L182-V188 HydrophobicContact CD2-CG1 4.02Å; D184-V188 PolarHBondContact O-N 2.06Å; D184-V188 VanDerWaalsContact O-N 3.15Å; F185-V188 WeakPolarHBondContact O-CG2 3.18Å; V188-N192 PolarHBondContact O-N 3.17Å; V188-N192 PolarHBondContact O-ND2 3.19Å |
| 189 | S | 73.7 | Confident | 72.9 | Confident | 57 Ų | 57 | 89.5 Ų | 89.5 | 40% | 0.399 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -47.1 | 175.4 | 75.2 | 0 | 0 | 0 | 0 | 110.9 | F185 Q186 S187 L191 N192 Q193 | F185-S189 WeakPolarHBondContact O-CB 3.45Å; F185-S189 PolarHBondContact O-N 3.29Å; F185-S189 VanDerWaalsContact O-N 3.08Å; F185-S189 PolarHBondContact O-OG 3.05Å; Q186-S189 PolarHBondContact O-OG 2.77Å; S187-S189 VanDerWaalsContact C-N 3.33Å; S187-S189 PolarHBondContact O-N 3.38Å; S189-L191 VanDerWaalsContact C-N 3.32Å; S189-L191 PolarHBondContact O-N 2.93Å; S189-N192 CarbonylContact O-C 3.47Å; S189-N192 PolarHBondContact O-N 3.3Å; S189-Q193 WeakPolarHBondContact O-CG 3.25Å; S189-Q193 PolarHBondContact O-N 3.42Å |
| 190 | K | 78.2 | Confident | 73.7 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.5 | -40.8 | 174.8 | -74.2 | 169.7 | -177.6 | 168.6 | 0 | 113.1 | Q186 S187 N192 Q193 | Q186-K190 VanDerWaalsContact O-CG 3.29Å; Q186-K190 WeakPolarHBondContact O-CG 3.34Å; Q186-K190 PolarHBondContact O-N 2.07Å; Q186-K190 VanDerWaalsContact O-N 3.09Å; S187-K190 PolarHBondContact O-N 3.32Å; K190-N192 PolarHBondContact O-N 3Å; K190-Q193 PolarHBondContact O-N 3.09Å |
| 191 | L | 77.6 | Confident | 74.4 | Confident | 72 Ų | 72 | 92.4 Ų | 92.4 | 38% | 0.377 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64 | -23.8 | 176.8 | -178.1 | 60.4 | 0 | 0 | 0 | 113.4 | L177 L182 S187 S189 K195 | L177-L191 HydrophobicContact CD1-CD2 4.03Å; L182-L191 HydrophobicContact CD2-CD2 4.38Å; S187-L191 PolarHBondContact O-N 3.17Å; S187-L191 VanDerWaalsContact O-N 3.09Å; S189-L191 VanDerWaalsContact C-N 3.32Å; S189-L191 PolarHBondContact O-N 2.93Å; L191-K195 WeakPolarHBondContact O-CE 3.21Å; L191-K195 PolarHBondContact O-NZ 3.32Å |
| 192 | N | 71.8 | Confident | 74.9 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 41% | 0.406 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -104.6 | 0.7 | 179.7 | -71.1 | -74.7 | 0 | 0 | 0 | 113.2 | V188 S189 K190 G194 K195 | V188-N192 PolarHBondContact O-N 3.17Å; V188-N192 PolarHBondContact O-ND2 3.19Å; S189-N192 CarbonylContact O-C 3.47Å; S189-N192 PolarHBondContact O-N 3.3Å; K190-N192 PolarHBondContact O-N 3Å; N192-G194 PolarHBondContact O-N 3.33Å; N192-K195 PolarHBondContact O-N 3.01Å |
| 193 | Q | 71.9 | Confident | 76 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 61% | 0.612 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | 123.3 | 171.1 | -71.8 | -178.3 | 39.5 | 0 | 0 | 109.2 | S189 K190 | S189-Q193 WeakPolarHBondContact O-CG 3.25Å; S189-Q193 PolarHBondContact O-N 3.42Å; K190-Q193 PolarHBondContact O-N 3.09Å |
| 194 | G | 70.5 | Confident | 76.6 | Confident | 81 Ų | 81 | 101 Ų | 101 | 84% | 0.835 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86.5 | -1.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | N192 | N192-G194 PolarHBondContact O-N 3.33Š|
| 195 | K | 79.6 | Confident | 76.7 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 45% | 0.448 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -81.1 | 127.8 | 171.3 | -65.3 | -174.5 | -179.1 | 177 | 0 | 109.8 | L191 N192 C197 | L191-K195 WeakPolarHBondContact O-CE 3.21Å; L191-K195 PolarHBondContact O-NZ 3.32Å; N192-K195 PolarHBondContact O-N 3.01Å; K195-C197 PolarHBondContact O-N 2.91Å |
| 196 | P | 77.1 | Confident | 77 | Confident | 118 Ų | 118 | 95 Ų | 95 | 77% | 0.766 | 53% | 0.533 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 135.4 | 175.3 | 26.9 | -32.9 | 0 | 0 | 0 | 109.2 | T198 | P196-T198 PolarHBondContact O-N 3.22Š|
| 197 | C | 82.8 | Confident | 77 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 35% | 0.351 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 133.7 | 173.7 | 66 | 0 | 0 | 0 | 0 | 110 | K195 C199 C206 | K195-C197 PolarHBondContact O-N 2.91Å; C197-C199 HydrophobicContact CB-CB 3.9Å; C197-C199 WeakPolarHBondContact CB-SG 3.23Å; C197-C199 PolarHBondContact O-N 3.43Å; C197-C199 PolarHBondContact O-SG 2.73Å; C197-C199 VanDerWaalsContact O-SG 3.38Å; C197-C199 WeakPolarHBondContact SG-CB 3.42Å; C197-C199 CovalentContact SG-SG 2.07Å; C197-C199 PolarHBondContact SG-SG 3.24Å; C197-C206 HydrophobicContact CB-CB 3.67Å; C197-C206 WeakPolarHBondContact CB-SG 3.4Å; C197-C206 WeakPolarHBondContact SG-CB 3.46Å; C197-C206 PolarHBondContact SG-SG 2.81Å |
| 198 | T | 83.8 | Confident | 76.9 | Confident | 143 Ų | 143 | 103.7 Ų | 103.7 | 88% | 0.877 | 56% | 0.56 | S | S | * | * | | | trans | -74.5 | 13.9 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | P196 I200 | P196-T198 PolarHBondContact O-N 3.22Å; T198-I200 PolarHBondContact O-N 2.77Å |
| 199 | C | 83.7 | Confident | 76.9 | Confident | 46 Ų | 46 | 109.4 Ų | 109.4 | 31% | 0.311 | 58% | 0.576 | S | S | . | * | | | trans | -69.5 | 111.9 | -175.1 | 61 | 0 | 0 | 0 | 0 | 110.3 | C197 G201 C204 | C197-C199 HydrophobicContact CB-CB 3.9Å; C197-C199 WeakPolarHBondContact CB-SG 3.23Å; C197-C199 PolarHBondContact O-N 3.43Å; C197-C199 PolarHBondContact O-SG 2.73Å; C197-C199 VanDerWaalsContact O-SG 3.38Å; C197-C199 WeakPolarHBondContact SG-CB 3.42Å; C197-C199 CovalentContact SG-SG 2.07Å; C197-C199 PolarHBondContact SG-SG 3.24Å; C199-G201 PolarHBondContact O-N 3.15Å; C199-C204 HydrophobicContact CB-CB 3.39Å; C199-C204 WeakPolarHBondContact CB-SG 3.38Å; C199-C204 VanDerWaalsContact SG-CB 3.52Å |
| 200 | I | 74.9 | Confident | 76.8 | Confident | 181 Ų | 181 | 111.6 Ų | 111.6 | 93% | 0.928 | 58% | 0.58 | S | S | * | * | | | trans | -92.4 | 88.8 | 177.5 | -58 | 164.9 | 0 | 0 | 0 | 107.9 | T198 | T198-I200 PolarHBondContact O-N 2.77Š|
| 201 | G | 72.6 | Confident | 76.5 | Confident | 53 Ų | 53 | 113 Ų | 113 | 55% | 0.546 | 59% | 0.593 | S | S | . | * | S | Bend | trans | 159.8 | 151.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | C199 E203 C204 | C199-G201 PolarHBondContact O-N 3.15Å; G201-E203 PolarHBondContact O-N 3.09Å; G201-C204 PolarHBondContact O-N 2.95Å |
| 202 | K | 71.5 | Confident | 76.5 | Confident | 224 Ų | 224 | 114.1 Ų | 114.1 | 97% | 0.974 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 1.5 | 175.2 | 56.3 | -176.1 | 179.4 | -75.4 | 0 | 114.7 | | |
| 203 | E | 79.8 | Confident | 76.7 | Confident | 176 Ų | 176 | 119.6 Ų | 119.6 | 82% | 0.822 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | 25.5 | -178.3 | -163.5 | 128.1 | -150.4 | 0 | 0 | 112.2 | G201 Q205 | G201-E203 PolarHBondContact O-N 3.09Å; E203-Q205 PolarHBondContact O-N 2.88Å |
| 204 | C | 81.6 | Confident | 76.9 | Confident | 51 Ų | 51 | 119.1 Ų | 119.1 | 35% | 0.345 | 63% | 0.626 | S | S | . | * | | | trans | -74.5 | 120 | 167.8 | -154.1 | 0 | 0 | 0 | 0 | 111.3 | C199 G201 C206 | C199-C204 HydrophobicContact CB-CB 3.39Å; C199-C204 WeakPolarHBondContact CB-SG 3.38Å; C199-C204 VanDerWaalsContact SG-CB 3.52Å; G201-C204 PolarHBondContact O-N 2.95Å; C204-C206 HydrophobicContact CB-CB 4.09Å; C204-C206 WeakPolarHBondContact CB-SG 3.46Å; C204-C206 PolarHBondContact O-N 3.1Å; C204-C206 WeakPolarHBondContact SG-CB 3.47Å; C204-C206 PolarHBondContact SG-N 3.48Å; C204-C206 CovalentContact SG-SG 2.06Å; C204-C206 PolarHBondContact SG-SG 3.21Å |
| 205 | Q | 79.1 | Confident | 77 | Confident | 93 Ų | 93 | 124.4 Ų | 124.4 | 44% | 0.435 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -1.9 | 167.9 | -60.7 | -166.3 | 47.8 | 0 | 0 | 112.9 | E203 K207 R208 W209 | E203-Q205 PolarHBondContact O-N 2.88Å; Q205-K207 PolarHBondContact O-N 3.4Å; Q205-R208 WeakPolarHBondContact O-CA 3.2Å; Q205-R208 VanDerWaalsContact O-CB 3.23Å; Q205-R208 WeakPolarHBondContact O-CB 3.43Å; Q205-R208 PolarHBondContact O-N 2.77Å; Q205-W209 VanDerWaalsContact C-CD1 3.49Å; Q205-W209 PolarHBondContact O-N 3.01Å |
| 206 | C | 81 | Confident | 76.5 | Confident | 31 Ų | 31 | 124 Ų | 124 | 21% | 0.209 | 63% | 0.633 | C | S | . | * | H | α-helix | trans | -44.4 | -43.8 | -177.9 | -56.1 | 0 | 0 | 0 | 0 | 113.1 | C197 C204 R208 W209 H210 | C197-C206 HydrophobicContact CB-CB 3.67Å; C197-C206 WeakPolarHBondContact CB-SG 3.4Å; C197-C206 WeakPolarHBondContact SG-CB 3.46Å; C197-C206 PolarHBondContact SG-SG 2.81Å; C204-C206 HydrophobicContact CB-CB 4.09Å; C204-C206 WeakPolarHBondContact CB-SG 3.46Å; C204-C206 PolarHBondContact O-N 3.1Å; C204-C206 WeakPolarHBondContact SG-CB 3.47Å; C204-C206 PolarHBondContact SG-N 3.48Å; C204-C206 CovalentContact SG-SG 2.06Å; C204-C206 PolarHBondContact SG-SG 3.21Å; C206-R208 PolarHBondContact O-N 3.05Å; C206-W209 PolarHBondContact O-N 2.79Å; C206-H210 PolarHBondContact O-CD2 3.09Å; C206-H210 PolarHBondContact O-N 2.98Å; C206-H210 VanDerWaalsContact O-N 3.09Å |
| 207 | K | 74.7 | Confident | 75.6 | Confident | 165 Ų | 165 | 125.4 Ų | 125.4 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.1 | -41.4 | 176.1 | -67 | -173.7 | 176.5 | -175.8 | 0 | 112.8 | Q205 W209 H210 | Q205-K207 PolarHBondContact O-N 3.4Å; K207-W209 VanDerWaalsContact C-N 3.27Å; K207-W209 PolarHBondContact O-N 3.48Å; K207-H210 PolarHBondContact O-N 3.4Å |
| 208 | R | 75.6 | Confident | 74.6 | Confident | 167 Ų | 167 | 128.5 Ų | 128.5 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.9 | -30.8 | 175.9 | -176.1 | -174.7 | -70.6 | 170.7 | -7.7 | 112.3 | Q205 C206 | Q205-R208 WeakPolarHBondContact O-CA 3.2Å; Q205-R208 VanDerWaalsContact O-CB 3.23Å; Q205-R208 WeakPolarHBondContact O-CB 3.43Å; Q205-R208 PolarHBondContact O-N 2.77Å; C206-R208 PolarHBondContact O-N 3.05Å |
| 209 | W | 73.7 | Confident | 73.4 | Confident | 166 Ų | 166 | 124.3 Ų | 124.3 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -81.1 | -28.7 | 177.9 | -63.2 | 96.5 | 0 | 0 | 0 | 113.2 | Q205 C206 K207 D211 M212 | Q205-W209 VanDerWaalsContact C-CD1 3.49Å; Q205-W209 PolarHBondContact O-N 3.01Å; C206-W209 PolarHBondContact O-N 2.79Å; K207-W209 VanDerWaalsContact C-N 3.27Å; K207-W209 PolarHBondContact O-N 3.48Å; W209-D211 VanDerWaalsContact C-N 3.3Å; W209-D211 PolarHBondContact O-N 2.79Å; W209-M212 HydrophobicContact CD2-CE 3.83Å; W209-M212 HydrophobicContact CE3-CE 3.45Å; W209-M212 VanDerWaalsContact CE3-CE 3.45Å; W209-M212 HydrophobicContact CE3-SD 4.2Å; W209-M212 HydrophobicContact CG-CE 4.41Å; W209-M212 HydrophobicContact CZ3-CE 3.85Å; W209-M212 HydrophobicContact CZ3-SD 4.32Å; W209-M212 PolarHBondContact O-N 3.35Å |
| 210 | H | 71.4 | Confident | 72.2 | Confident | 104 Ų | 104 | 129.2 Ų | 129.2 | 48% | 0.481 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63.9 | -36.5 | 175.5 | -81.9 | -70.9 | 0 | 0 | 0 | 112.5 | C206 K207 M212 | C206-H210 PolarHBondContact O-CD2 3.09Å; C206-H210 PolarHBondContact O-N 2.98Å; C206-H210 VanDerWaalsContact O-N 3.09Å; K207-H210 PolarHBondContact O-N 3.4Å; H210-M212 VanDerWaalsContact C-N 3.33Å |
| 211 | D | 71.7 | Confident | 71.4 | Confident | 139 Ų | 139 | 129.2 Ų | 129.2 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 6.2 | -177 | -57.6 | -30.3 | 0 | 0 | 0 | 113 | W209 E213 | W209-D211 VanDerWaalsContact C-N 3.3Å; W209-D211 PolarHBondContact O-N 2.79Å; D211-E213 PolarHBondContact O-N 3.36Å |
| 212 | M | 77.1 | Confident | 70.9 | Confident | 96 Ų | 96 | 132 Ų | 132 | 47% | 0.473 | 66% | 0.663 | S | S | . | * | | | trans | -82.4 | 114.2 | -178.4 | -161.3 | 176.6 | -47.6 | 0 | 0 | 110.5 | W209 H210 V214 | W209-M212 HydrophobicContact CD2-CE 3.83Å; W209-M212 HydrophobicContact CE3-CE 3.45Å; W209-M212 VanDerWaalsContact CE3-CE 3.45Å; W209-M212 HydrophobicContact CE3-SD 4.2Å; W209-M212 HydrophobicContact CG-CE 4.41Å; W209-M212 HydrophobicContact CZ3-CE 3.85Å; W209-M212 HydrophobicContact CZ3-SD 4.32Å; W209-M212 PolarHBondContact O-N 3.35Å; H210-M212 VanDerWaalsContact C-N 3.33Å; M212-V214 PolarHBondContact O-N 3.26Å; M212-V214 VanDerWaalsContact O-N 3.17Å |
| 213 | E | 75.8 | Confident | 70.3 | Confident | 192 Ų | 192 | 127.3 Ų | 127.3 | 90% | 0.897 | 65% | 0.653 | S | S | * | * | | | trans | -66.9 | 112.9 | 174.6 | -66.8 | -178.3 | 178.8 | 0 | 0 | 110 | D211 Y215 | D211-E213 PolarHBondContact O-N 3.36Å; E213-Y215 PolarHBondContact O-N 3.21Å |
| 214 | V | 77.6 | Confident | 69.1 | Low | 121 Ų | 121 | 123.4 Ų | 123.4 | 73% | 0.733 | 64% | 0.643 | S | S | * | * | | | trans | -74.6 | 115.3 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | M212 S216 | M212-V214 PolarHBondContact O-N 3.26Å; M212-V214 VanDerWaalsContact O-N 3.17Å; V214-S216 PolarHBondContact O-N 3.28Å |
| 215 | Y | 71.4 | Confident | 67.7 | Low | 191 Ų | 191 | 127.2 Ų | 127.2 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | | | trans | -56.8 | 112 | 175 | 178.8 | -104.5 | 0 | 0 | 0 | 110 | E213 F217 | E213-Y215 PolarHBondContact O-N 3.21Å; Y215-F217 HydrophobicContact CE1-CB 4.34Å; Y215-F217 AromaticContact CE1-CD2 3.95Å; Y215-F217 HydrophobicContact CE1-CD2 3.95Å |
| 216 | S | 70.3 | Confident | 66.1 | Low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 69% | 0.689 | S | S | * | * | | | trans | -92.1 | 116.1 | 175.9 | 56.7 | 0 | 0 | 0 | 0 | 109.2 | V214 S218 | V214-S216 PolarHBondContact O-N 3.28Å; S216-S218 PolarHBondContact O-N 2.94Å; S216-S218 VanDerWaalsContact O-N 3.11Å |
| 217 | F | 57.8 | Low | 64.4 | Low | 148 Ų | 148 | 133.6 Ų | 133.6 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | | | trans | -80.5 | 89.9 | 173.7 | -166.4 | -98.4 | 0 | 0 | 0 | 108.9 | Y215 G219 | Y215-F217 HydrophobicContact CE1-CB 4.34Å; Y215-F217 AromaticContact CE1-CD2 3.95Å; Y215-F217 HydrophobicContact CE1-CD2 3.95Å; F217-G219 PolarHBondContact O-N 3.4Å; F217-G219 VanDerWaalsContact O-N 3.15Å |
| 218 | S | 62.3 | Low | 63.2 | Low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | 16.6 | 178.6 | 51.5 | 0 | 0 | 0 | 0 | 114.1 | S216 | S216-S218 PolarHBondContact O-N 2.94Å; S216-S218 VanDerWaalsContact O-N 3.11Å |
| 219 | G | 57.5 | Low | 62.2 | Low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -3.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F217 | F217-G219 PolarHBondContact O-N 3.4Å; F217-G219 VanDerWaalsContact O-N 3.15Å |
| 220 | L | 59.9 | Low | 60.6 | Low | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -109 | 113 | 178.2 | -66.9 | 176 | 0 | 0 | 0 | 109.6 | S222 | L220-S222 PolarHBondContact O-N 3.04Š|
| 221 | Q | 57.7 | Low | 59.6 | Low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 129 | 169.8 | -68.9 | -178.7 | 20.7 | 0 | 0 | 108.6 | V223 | Q221-V223 PolarHBondContact O-N 3.29Š|
| 222 | S | 62.3 | Low | 58 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.6 | 168.7 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | L220 P224 | L220-S222 PolarHBondContact O-N 3.04Å; S222-P224 WeakPolarHBondContact O-CD 3.39Å; S222-P224 VanDerWaalsContact O-N 3.15Å |
| 223 | V | 58.7 | Low | 56.4 | Low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 120.1 | -179.2 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | Q221 | Q221-V223 PolarHBondContact O-N 3.29Š|
| 224 | P | 54.4 | Low | 54.9 | Low | 94 Ų | 94 | 136.8 Ų | 136.8 | 61% | 0.61 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 136 | 174.2 | -19.9 | 31.1 | 0 | 0 | 0 | 109.7 | S222 L226 | S222-P224 WeakPolarHBondContact O-CD 3.39Å; S222-P224 VanDerWaalsContact O-N 3.15Å; P224-L226 PolarHBondContact O-N 3.06Å; P224-L226 VanDerWaalsContact O-N 3.09Å |
| 225 | P | 52.5 | Low | 53.4 | Low | 131 Ų | 131 | 138.5 Ų | 138.5 | 85% | 0.851 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 116.5 | 175 | -22.5 | 32.8 | 0 | 0 | 0 | 110.5 | A227 | P225-A227 PolarHBondContact O-N 3.48Š|
| 226 | L | 44.1 | Very low | 52 | Low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 76% | 0.755 | S | S | * | * | | | trans | -69.9 | 115.2 | 177.3 | -71.7 | 167.1 | 0 | 0 | 0 | 109.6 | P224 | P224-L226 PolarHBondContact O-N 3.06Å; P224-L226 VanDerWaalsContact O-N 3.09Å |
| 227 | A | 46.3 | Very low | 50.3 | Low | 89 Ų | 89 | 141.6 Ų | 141.6 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | | | trans | -77.7 | 161 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P225 | P225-A227 PolarHBondContact O-N 3.48Š|
| 228 | P | 49.9 | Very low | 49.7 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 76% | 0.757 | S | S | * | * | | | trans | -80.6 | 130.4 | -163.1 | 0.8 | 14.7 | 0 | 0 | 0 | 114.6 | | |
| 229 | E | 52.8 | Low | 48.9 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 62% | 0.621 | 76% | 0.76 | S | S | * | * | | | trans | 2.8 | 124.3 | 150.8 | -161.5 | -179.3 | 179.8 | 0 | 0 | 118.5 | R231 | E229-R231 HydrophobicContact CG-CG 4.21Å; E229-R231 IonicContact OE1-CZ 2.79Å; E229-R231 IonicContact OE1-NE 2.73Å; E229-R231 PolarHBondContact OE1-NE 2.83Å; E229-R231 IonicContact OE1-NH2 3.84Å; E229-R231 PolarHBondContact OE1-NH2 3.45Å; E229-R231 IonicContact OE2-CZ 3.7Å; E229-R231 IonicContact OE2-NH2 3.14Å; E229-R231 PolarHBondContact OE2-NH2 3.49Å |
| 230 | R | 41.1 | Very low | 47.8 | Very low | 242 Ų | 242 | 144.5 Ų | 144.5 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | -127.9 | 123.8 | 150.2 | -81.8 | -165.8 | 164 | 81.4 | 0.4 | 110.7 | | |
| 231 | R | 50.7 | Low | 47.3 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | trans | -84 | 144.8 | -178.8 | -62.6 | 176.8 | 175.9 | 136.8 | 8.8 | 111.3 | E229 | E229-R231 HydrophobicContact CG-CG 4.21Å; E229-R231 IonicContact OE1-CZ 2.79Å; E229-R231 IonicContact OE1-NE 2.73Å; E229-R231 PolarHBondContact OE1-NE 2.83Å; E229-R231 IonicContact OE1-NH2 3.84Å; E229-R231 PolarHBondContact OE1-NH2 3.45Å; E229-R231 IonicContact OE2-CZ 3.7Å; E229-R231 IonicContact OE2-NH2 3.14Å; E229-R231 PolarHBondContact OE2-NH2 3.49Å |
| 232 | S | 37.8 | Very low | 46.6 | Very low | 104 Ų | 104 | 145 Ų | 145 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -161.7 | 95.9 | 154.2 | 55.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 233 | T | 44 | Very low | 45.5 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | | 54.1 | 134.3 | 90.4 | 59.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 234 | L | 44.5 | Very low | 44.8 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 83% | 0.827 | 79% | 0.785 | S | S | * | * | | | trans | 106.8 | 86.5 | 162.7 | -144.6 | 157.7 | 0 | 0 | 0 | 113.1 | | |
| 235 | E | 45.1 | Very low | 44.1 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | 64.8 | 138.3 | 84.1 | -62.8 | -80.2 | 160.4 | 0 | 0 | 110.4 | | |
| 236 | D | 41.5 | Very low | 43.8 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | cis | -175.1 | 125.2 | -8.7 | -155.4 | 6.6 | 0 | 0 | 0 | 103.4 | | |
| 237 | Y | 35.5 | Very low | 44.5 | Very low | 219 Ų | 219 | 151.5 Ų | 151.5 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | | | trans | -157.8 | 78 | 161.9 | -158 | -95.8 | 0 | 0 | 0 | 111.1 | | |
| 238 | S | 44.2 | Very low | 44.8 | Very low | 72 Ų | 72 | 150.3 Ų | 150.3 | 50% | 0.503 | 79% | 0.79 | S | S | . | * | | | trans | 42.9 | 105.1 | 132.5 | -43.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 239 | Q | 46.8 | Very low | 45.3 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | | 76.8 | 96.2 | 125.6 | -62.4 | 174.7 | 11.5 | 0 | 0 | 119.9 | | |
| 240 | S | 33.7 | Very low | 45.7 | Very low | 120 Ų | 120 | 149 Ų | 149 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -141.5 | 127.4 | 134.3 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | H242 | S240-H242 PolarHBondContact O-N 3.21Š|
| 241 | L | 49 | Very low | 46.8 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 110.5 | -169.2 | -65.5 | 169.9 | 0 | 0 | 0 | 111.7 | | |
| 242 | H | 43.1 | Very low | 47.9 | Very low | 186 Ų | 186 | 137.1 Ų | 137.1 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | trans | -150.5 | 123 | 144.6 | -79.8 | -43.3 | 0 | 0 | 0 | 110.4 | S240 | S240-H242 PolarHBondContact O-N 3.21Š|
| 243 | A | 40.3 | Very low | 49.4 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 47.2 | 104.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | T245 | A243-T245 PolarHBondContact O-N 2.85Š|
| 244 | R | 42.7 | Very low | 50.6 | Low | 252 Ų | 252 | 134.5 Ų | 134.5 | 95% | 0.951 | 75% | 0.747 | S | S | * | * | | | trans | -39.3 | 110 | 168 | -70.4 | 177.5 | -154.6 | 118.9 | 6.2 | 111.8 | L246 | R244-L246 PolarHBondContact O-N 3.35Š|
| 245 | T | 40 | Very low | 51.8 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -65 | 117.6 | 155.8 | -15.7 | 0 | 0 | 0 | 0 | 106.9 | A243 S247 | A243-T245 PolarHBondContact O-N 2.85Å; T245-S247 PolarHBondContact O-N 2.88Å; T245-S247 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 46.8 | Very low | 53.2 | Low | 166 Ų | 166 | 129.5 Ų | 129.5 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | | | trans | -66.8 | 105.1 | 155.8 | -83 | 160.9 | 0 | 0 | 0 | 106 | R244 G248 | R244-L246 PolarHBondContact O-N 3.35Å; L246-G248 PolarHBondContact O-N 3.47Å |
| 247 | S | 59.1 | Low | 54.3 | Low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 71% | 0.709 | S | S | * | * | | | trans | -56 | 122.7 | 169.5 | 168.6 | 0 | 0 | 0 | 0 | 110.2 | T245 | T245-S247 PolarHBondContact O-N 2.88Å; T245-S247 VanDerWaalsContact O-N 3.09Å |
| 248 | G | 52.8 | Low | 55.8 | Low | 63 Ų | 63 | 125.1 Ų | 125.1 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 154.9 | 100.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L246 | L246-G248 PolarHBondContact O-N 3.47Š|
| 249 | S | 59.8 | Low | 56.9 | Low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 72.9 | 134.7 | 172.9 | -158.9 | 0 | 0 | 0 | 0 | 116.2 | R251 | S249-R251 PolarHBondContact O-N 3Š|
| 250 | P | 60.3 | Low | 57.5 | Low | 123 Ų | 123 | 123.7 Ų | 123.7 | 80% | 0.799 | 69% | 0.693 | S | S | * | * | | | trans | -62.8 | 102.8 | 167.3 | 27.3 | -31.2 | 0 | 0 | 0 | 107.3 | S252 | P250-S252 PolarHBondContact O-N 3.26Å; P250-S252 VanDerWaalsContact O-N 3.1Å |
| 251 | R | 65.8 | Low | 58.8 | Low | 128 Ų | 128 | 122.6 Ų | 122.6 | 48% | 0.483 | 68% | 0.681 | S | S | . | * | | | trans | -45.6 | 123.1 | 174.4 | -76.3 | -164.3 | 160.8 | 139.2 | 2.1 | 108.7 | S249 E255 Q256 | S249-R251 PolarHBondContact O-N 3Å; R251-E255 HydrophobicContact CB-CB 4.13Å; R251-E255 HydrophobicContact CB-CG 4.36Å; R251-E255 WeakPolarHBondContact CD-OE1 3.4Å; R251-E255 HydrophobicContact CG-CB 4.5Å; R251-E255 HydrophobicContact CG-CG 4.19Å; R251-E255 WeakPolarHBondContact CG-OE2 3.31Å; R251-E255 IonicContact CZ-OE1 3.24Å; R251-E255 IonicContact NE-OE1 2.81Å; R251-E255 PolarHBondContact NE-OE1 3.38Å; R251-E255 IonicContact NH2-OE1 3.96Å; R251-Q256 HydrophobicContact CB-CG 4.07Å |
| 252 | S | 73.1 | Confident | 59.5 | Low | 66 Ų | 66 | 121.8 Ų | 121.8 | 46% | 0.462 | 68% | 0.678 | S | S | . | * | | | trans | -52.3 | 149.1 | 173.9 | 170.5 | 0 | 0 | 0 | 0 | 109.3 | P250 S254 E255 Q256 | P250-S252 PolarHBondContact O-N 3.26Å; P250-S252 VanDerWaalsContact O-N 3.1Å; S252-S254 WeakPolarHBondContact CB-OG 3.44Å; S252-S254 PolarHBondContact O-N 2.66Å; S252-S254 PolarHBondContact OG-N 3.14Å; S252-S254 PolarHBondContact OG-OG 3.12Å; S252-E255 WeakPolarHBondContact O-CA 3.41Å; S252-E255 WeakPolarHBondContact O-CB 3.07Å; S252-E255 PolarHBondContact O-N 2.88Å; S252-Q256 PolarHBondContact O-N 2.87Å |
| 253 | C | 70.1 | Confident | 61 | Low | 106 Ų | 106 | 117.9 Ų | 117.9 | 72% | 0.716 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -47.9 | -35.1 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 111.7 | E255 Q256 A257 | C253-E255 VanDerWaalsContact C-N 3.33Å; C253-E255 PolarHBondContact O-N 2.97Å; C253-Q256 PolarHBondContact O-N 2.98Å; C253-A257 WeakPolarHBondContact O-CB 3.43Å; C253-A257 PolarHBondContact O-N 3.05Å |
| 254 | S | 68.9 | Low | 63 | Low | 77 Ų | 77 | 117.1 Ų | 117.1 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -65.2 | -27 | 175 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | S252 | S252-S254 WeakPolarHBondContact CB-OG 3.44Å; S252-S254 PolarHBondContact O-N 2.66Å; S252-S254 PolarHBondContact OG-N 3.14Å; S252-S254 PolarHBondContact OG-OG 3.12Å |
| 255 | E | 69.9 | Low | 65.2 | Low | 87 Ų | 87 | 108.5 Ų | 108.5 | 41% | 0.407 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -86 | -37.1 | 178.7 | -166.1 | -179.1 | 165.4 | 0 | 0 | 111.1 | R251 S252 C253 A257 R258 V259 | R251-E255 HydrophobicContact CB-CB 4.13Å; R251-E255 HydrophobicContact CB-CG 4.36Å; R251-E255 WeakPolarHBondContact CD-OE1 3.4Å; R251-E255 HydrophobicContact CG-CB 4.5Å; R251-E255 HydrophobicContact CG-CG 4.19Å; R251-E255 WeakPolarHBondContact CG-OE2 3.31Å; R251-E255 IonicContact CZ-OE1 3.24Å; R251-E255 IonicContact NE-OE1 2.81Å; R251-E255 PolarHBondContact NE-OE1 3.38Å; R251-E255 IonicContact NH2-OE1 3.96Å; S252-E255 WeakPolarHBondContact O-CA 3.41Å; S252-E255 WeakPolarHBondContact O-CB 3.07Å; S252-E255 PolarHBondContact O-N 2.88Å; C253-E255 VanDerWaalsContact C-N 3.33Å; C253-E255 PolarHBondContact O-N 2.97Å; E255-A257 VanDerWaalsContact C-N 3.34Å; E255-R258 PolarHBondContact O-N 3.21Å; E255-V259 WeakPolarHBondContact O-CG2 3.37Å; E255-V259 PolarHBondContact O-N 3.5Å |
| 256 | Q | 73.6 | Confident | 67.3 | Low | 122 Ų | 122 | 109.4 Ų | 109.4 | 57% | 0.57 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -38.6 | 172.2 | -66.4 | -178.9 | -6.4 | 0 | 0 | 112 | R251 S252 C253 R258 V259 | R251-Q256 HydrophobicContact CB-CG 4.07Å; S252-Q256 PolarHBondContact O-N 2.87Å; C253-Q256 PolarHBondContact O-N 2.98Å; Q256-R258 PolarHBondContact O-N 2.94Å; Q256-V259 PolarHBondContact O-N 3.32Å |
| 257 | A | 66.1 | Low | 69.2 | Low | 59 Ų | 59 | 108.4 Ų | 108.4 | 49% | 0.488 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -59.8 | -33.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C253 E255 V261 | C253-A257 WeakPolarHBondContact O-CB 3.43Å; C253-A257 PolarHBondContact O-N 3.05Å; E255-A257 VanDerWaalsContact C-N 3.34Å; A257-V261 WeakPolarHBondContact O-CG2 3.42Å |
| 258 | R | 66.3 | Low | 70.7 | Confident | 200 Ų | 200 | 107.1 Ų | 107.1 | 76% | 0.755 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -80 | -22.7 | 179.5 | -72.9 | 179.4 | 161.6 | -178.5 | -5 | 113.9 | E255 Q256 F260 | E255-R258 PolarHBondContact O-N 3.21Å; Q256-R258 PolarHBondContact O-N 2.94Å; R258-F260 VanDerWaalsContact C-N 3.31Å |
| 259 | V | 65.9 | Low | 72.5 | Confident | 86 Ų | 86 | 108.6 Ų | 108.6 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.2 | -26.1 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | E255 Q256 | E255-V259 WeakPolarHBondContact O-CG2 3.37Å; E255-V259 PolarHBondContact O-N 3.5Å; Q256-V259 PolarHBondContact O-N 3.32Å |
| 260 | F | 59.8 | Low | 73.7 | Confident | 146 Ų | 146 | 105.8 Ų | 105.8 | 64% | 0.64 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -101.5 | 1.2 | -178.9 | -144.9 | -95.9 | 0 | 0 | 0 | 113.7 | R258 D262 D263 | R258-F260 VanDerWaalsContact C-N 3.31Å; F260-D262 VanDerWaalsContact C-N 3.35Å; F260-D263 HydrophobicContact CD1-CB 4.46Å; F260-D263 WeakPolarHBondContact CD2-OD2 3.37Å; F260-D263 HydrophobicContact CE1-CB 4.44Å; F260-D263 WeakPolarHBondContact CE2-OD2 3.26Å |
| 261 | V | 60.8 | Low | 75.1 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 58% | 0.582 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -75.7 | -26.4 | 178.8 | 163.1 | 0 | 0 | 0 | 0 | 111.6 | A257 D263 | A257-V261 WeakPolarHBondContact O-CG2 3.42Å; V261-D263 VanDerWaalsContact C-N 3.32Å |
| 262 | D | 64.9 | Low | 76.1 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 74% | 0.743 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -11.9 | 178.5 | -66.3 | -25.7 | 0 | 0 | 0 | 113.3 | F260 V264 | F260-D262 VanDerWaalsContact C-N 3.35Å; D262-V264 VanDerWaalsContact C-N 3.32Å |
| 263 | D | 74.5 | Confident | 76.7 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -11.2 | 178.1 | -69.8 | -27.2 | 0 | 0 | 0 | 112.7 | F260 V261 | F260-D263 HydrophobicContact CD1-CB 4.46Å; F260-D263 WeakPolarHBondContact CD2-OD2 3.37Å; F260-D263 HydrophobicContact CE1-CB 4.44Å; F260-D263 WeakPolarHBondContact CE2-OD2 3.26Å; V261-D263 VanDerWaalsContact C-N 3.32Å |
| 264 | V | 82.1 | Confident | 77.3 | Confident | 80 Ų | 80 | 105.1 Ų | 105.1 | 49% | 0.485 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -100.5 | 101.4 | 174.5 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | D262 D268 L269 | D262-V264 VanDerWaalsContact C-N 3.32Å; V264-D268 HydrophobicContact CG1-CB 4.42Å; V264-L269 HydrophobicContact CG1-CB 4.3Å |
| 265 | T | 87.9 | Confident | 77.8 | Confident | 71 Ų | 71 | 110.3 Ų | 110.3 | 44% | 0.436 | 56% | 0.558 | S | S | . | * | | | trans | -70.1 | 155.5 | 175.6 | 72.2 | 0 | 0 | 0 | 0 | 110.2 | E267 D268 L269 | T265-E267 PolarHBondContact O-N 3.03Å; T265-E267 VanDerWaalsContact O-N 3.14Å; T265-D268 WeakPolarHBondContact CB-OD2 3.34Å; T265-D268 PolarHBondContact N-OD2 3.2Å; T265-D268 PolarHBondContact O-N 3.48Å; T265-D268 PolarHBondContact OG1-N 3.11Å; T265-D268 PolarHBondContact OG1-OD2 3.17Å; T265-L269 PolarHBondContact O-N 2.95Å; T265-L269 VanDerWaalsContact O-N 3.12Å |
| 266 | I | 84.1 | Confident | 78.3 | Confident | 149 Ų | 149 | 112.8 Ų | 112.8 | 76% | 0.764 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -56.8 | -29.6 | 175.1 | -65.7 | 169.1 | 0 | 0 | 0 | 110.8 | S270 | I266-S270 VanDerWaalsContact O-CB 3.29Å; I266-S270 WeakPolarHBondContact O-CB 3.44Å; I266-S270 PolarHBondContact O-N 2.8Å; I266-S270 PolarHBondContact O-OG 3.11Å |
| 267 | E | 88.4 | Confident | 78.7 | Confident | 145 Ų | 145 | 111.5 Ų | 111.5 | 68% | 0.678 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71.1 | -38.1 | 177.3 | -154.6 | 69.4 | -159.9 | 0 | 0 | 112.5 | T265 S270 G271 | T265-E267 PolarHBondContact O-N 3.03Å; T265-E267 VanDerWaalsContact O-N 3.14Å; E267-S270 WeakPolarHBondContact CA-OG 3.49Å; E267-S270 PolarHBondContact O-N 3.1Å; E267-S270 PolarHBondContact O-OG 3.23Å; E267-G271 PolarHBondContact O-N 3.38Å |
| 268 | D | 90.3 | Very high | 79.2 | Confident | 97 Ų | 97 | 118.3 Ų | 118.3 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.4 | -39.1 | 176 | -61.3 | -49.8 | 0 | 0 | 0 | 110.9 | V264 T265 Y272 | V264-D268 HydrophobicContact CG1-CB 4.42Å; T265-D268 WeakPolarHBondContact CB-OD2 3.34Å; T265-D268 PolarHBondContact N-OD2 3.2Å; T265-D268 PolarHBondContact O-N 3.48Å; T265-D268 PolarHBondContact OG1-N 3.11Å; T265-D268 PolarHBondContact OG1-OD2 3.17Å; D268-Y272 WeakPolarHBondContact O-CB 3.34Å; D268-Y272 PolarHBondContact O-N 3.37Å |
| 269 | L | 89.8 | Confident | 79.7 | Confident | 93 Ų | 93 | 115.1 Ų | 115.1 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.6 | -41.8 | 175.9 | -174.1 | 63.3 | 0 | 0 | 0 | 111.7 | V264 T265 Y272 M273 | V264-L269 HydrophobicContact CG1-CB 4.3Å; T265-L269 PolarHBondContact O-N 2.95Å; T265-L269 VanDerWaalsContact O-N 3.12Å; L269-Y272 PolarHBondContact O-N 3.25Å; L269-M273 HydrophobicContact CD1-CE 4.2Å; L269-M273 VanDerWaalsContact O-CG 3.26Å; L269-M273 WeakPolarHBondContact O-CG 3.09Å; L269-M273 PolarHBondContact O-N 3.46Å |
| 270 | S | 84.9 | Confident | 80.2 | Confident | 49 Ų | 49 | 115.3 Ų | 115.3 | 34% | 0.343 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.5 | -41.2 | 177.3 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | I266 E267 M273 E274 | I266-S270 VanDerWaalsContact O-CB 3.29Å; I266-S270 WeakPolarHBondContact O-CB 3.44Å; I266-S270 PolarHBondContact O-N 2.8Å; I266-S270 PolarHBondContact O-OG 3.11Å; E267-S270 WeakPolarHBondContact CA-OG 3.49Å; E267-S270 PolarHBondContact O-N 3.1Å; E267-S270 PolarHBondContact O-OG 3.23Å; S270-M273 PolarHBondContact O-N 3.07Å; S270-E274 PolarHBondContact O-N 3.42Å |
| 271 | G | 89.9 | Confident | 81.2 | Confident | 35 Ų | 35 | 117.5 Ų | 117.5 | 36% | 0.361 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.8 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E267 E274 Y275 | E267-G271 PolarHBondContact O-N 3.38Å; G271-E274 PolarHBondContact O-N 2.97Å; G271-Y275 WeakPolarHBondContact O-CB 3.29Å; G271-Y275 PolarHBondContact O-N 2.99Å |
| 272 | Y | 86.8 | Confident | 82.4 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 50% | 0.498 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.2 | -47.1 | 170.9 | -169.9 | -85.3 | 0 | 0 | 0 | 110.6 | D268 L269 E274 Y275 Y276 | D268-Y272 WeakPolarHBondContact O-CB 3.34Å; D268-Y272 PolarHBondContact O-N 3.37Å; L269-Y272 PolarHBondContact O-N 3.25Å; Y272-E274 PolarHBondContact O-N 3.2Å; Y272-Y275 PolarHBondContact O-N 3.43Å; Y272-Y276 AromaticContact CD1-CD2 3.56Å; Y272-Y276 HydrophobicContact CD1-CD2 3.56Å; Y272-Y276 HydrophobicContact CD1-CE2 4.05Å; Y272-Y276 AromaticContact CD2-CD2 3.86Å; Y272-Y276 HydrophobicContact CD2-CD2 3.86Å; Y272-Y276 AromaticContact CD2-CE2 3.5Å; Y272-Y276 HydrophobicContact CD2-CE2 3.5Å; Y272-Y276 AromaticContact CE1-CD2 3.36Å; Y272-Y276 HydrophobicContact CE1-CD2 3.36Å; Y272-Y276 AromaticContact CE1-CE2 3.72Å; Y272-Y276 HydrophobicContact CE1-CE2 3.72Å; Y272-Y276 HydrophobicContact CE1-CG 4.12Å; Y272-Y276 AromaticContact CE2-CD2 3.7Å; Y272-Y276 HydrophobicContact CE2-CD2 3.7Å; Y272-Y276 AromaticContact CE2-CE2 3.12Å; Y272-Y276 HydrophobicContact CE2-CE2 3.12Å; Y272-Y276 AromaticContact CE2-CZ 3.94Å; Y272-Y276 AromaticContact CG-CD2 3.79Å; Y272-Y276 HydrophobicContact CG-CD2 3.79Å; Y272-Y276 AromaticContact CG-CE2 3.95Å; Y272-Y276 HydrophobicContact CG-CE2 3.95Å; Y272-Y276 AromaticContact CZ-CD2 3.42Å; Y272-Y276 VanDerWaalsContact CZ-CD2 3.42Å; Y272-Y276 AromaticContact CZ-CE2 3.23Å; Y272-Y276 AromaticContact CZ-CZ 3.93Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.2Å; Y272-Y276 PolarHBondContact O-N 3.39Å |
| 273 | M | 86 | Confident | 83.2 | Confident | 84 Ų | 84 | 119.8 Ų | 119.8 | 41% | 0.414 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -39.5 | 178.6 | -69 | -66.6 | 145.1 | 0 | 0 | 112.4 | L269 S270 Y275 L277 | L269-M273 HydrophobicContact CD1-CE 4.2Å; L269-M273 VanDerWaalsContact O-CG 3.26Å; L269-M273 WeakPolarHBondContact O-CG 3.09Å; L269-M273 PolarHBondContact O-N 3.46Å; S270-M273 PolarHBondContact O-N 3.07Å; M273-Y275 VanDerWaalsContact C-N 3.34Å; M273-Y275 PolarHBondContact O-N 3.45Å; M273-L277 HydrophobicContact CB-CD1 4.18Å; M273-L277 WeakPolarHBondContact O-CA 3.36Å; M273-L277 WeakPolarHBondContact O-CB 3.38Å; M273-L277 WeakPolarHBondContact O-CG 3.33Å; M273-L277 PolarHBondContact O-N 2.95Å; M273-L277 HydrophobicContact SD-CD1 3.89Å; M273-L277 HydrophobicContact SD-CG 4.4Å |
| 274 | E | 81.6 | Confident | 83.9 | Confident | 163 Ų | 163 | 118.2 Ų | 118.2 | 76% | 0.762 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.8 | -33.9 | 176.7 | -173 | 172.3 | -158.8 | 0 | 0 | 112.6 | S270 G271 Y272 | S270-E274 PolarHBondContact O-N 3.42Å; G271-E274 PolarHBondContact O-N 2.97Å; Y272-E274 PolarHBondContact O-N 3.2Å |
| 275 | Y | 79.8 | Confident | 84.3 | Confident | 185 Ų | 185 | 121 Ų | 121 | 73% | 0.725 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -74 | -38.1 | 177.6 | -176.6 | -100.6 | 0 | 0 | 0 | 113.1 | G271 Y272 M273 | G271-Y275 WeakPolarHBondContact O-CB 3.29Å; G271-Y275 PolarHBondContact O-N 2.99Å; Y272-Y275 PolarHBondContact O-N 3.43Å; M273-Y275 VanDerWaalsContact C-N 3.34Å; M273-Y275 PolarHBondContact O-N 3.45Å |
| 276 | Y | 80.5 | Confident | 84.4 | Confident | 140 Ų | 140 | 124.7 Ų | 124.7 | 55% | 0.549 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -94 | -27.1 | -176.4 | -72.5 | -76.6 | 0 | 0 | 0 | 113.8 | Y272 Y278 | Y272-Y276 AromaticContact CD1-CD2 3.56Å; Y272-Y276 HydrophobicContact CD1-CD2 3.56Å; Y272-Y276 HydrophobicContact CD1-CE2 4.05Å; Y272-Y276 AromaticContact CD2-CD2 3.86Å; Y272-Y276 HydrophobicContact CD2-CD2 3.86Å; Y272-Y276 AromaticContact CD2-CE2 3.5Å; Y272-Y276 HydrophobicContact CD2-CE2 3.5Å; Y272-Y276 AromaticContact CE1-CD2 3.36Å; Y272-Y276 HydrophobicContact CE1-CD2 3.36Å; Y272-Y276 AromaticContact CE1-CE2 3.72Å; Y272-Y276 HydrophobicContact CE1-CE2 3.72Å; Y272-Y276 HydrophobicContact CE1-CG 4.12Å; Y272-Y276 AromaticContact CE2-CD2 3.7Å; Y272-Y276 HydrophobicContact CE2-CD2 3.7Å; Y272-Y276 AromaticContact CE2-CE2 3.12Å; Y272-Y276 HydrophobicContact CE2-CE2 3.12Å; Y272-Y276 AromaticContact CE2-CZ 3.94Å; Y272-Y276 AromaticContact CG-CD2 3.79Å; Y272-Y276 HydrophobicContact CG-CD2 3.79Å; Y272-Y276 AromaticContact CG-CE2 3.95Å; Y272-Y276 HydrophobicContact CG-CE2 3.95Å; Y272-Y276 AromaticContact CZ-CD2 3.42Å; Y272-Y276 VanDerWaalsContact CZ-CD2 3.42Å; Y272-Y276 AromaticContact CZ-CE2 3.23Å; Y272-Y276 AromaticContact CZ-CZ 3.93Å; Y272-Y276 WeakPolarHBondContact O-CD2 3.2Å; Y272-Y276 PolarHBondContact O-N 3.39Å; Y276-Y278 PolarHBondContact O-N 2.93Å |
| 277 | L | 82.6 | Confident | 84.5 | Confident | 95 Ų | 95 | 119 Ų | 119 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | | | trans | -94.9 | 95.7 | 173.6 | -55.4 | 175.4 | 0 | 0 | 0 | 108.5 | M273 I279 | M273-L277 HydrophobicContact CB-CD1 4.18Å; M273-L277 WeakPolarHBondContact O-CA 3.36Å; M273-L277 WeakPolarHBondContact O-CB 3.38Å; M273-L277 WeakPolarHBondContact O-CG 3.33Å; M273-L277 PolarHBondContact O-N 2.95Å; M273-L277 HydrophobicContact SD-CD1 3.89Å; M273-L277 HydrophobicContact SD-CG 4.4Å; L277-I279 HydrophobicContact CB-CG1 4.21Å; L277-I279 PolarHBondContact O-N 3.18Å |
| 278 | Y | 76.8 | Confident | 84.4 | Confident | 202 Ų | 202 | 116.4 Ų | 116.4 | 79% | 0.792 | 56% | 0.564 | S | S | * | * | | | trans | -67.4 | 90.6 | 163.7 | -178.7 | -105.5 | 0 | 0 | 0 | 108.5 | Y276 P280 | Y276-Y278 PolarHBondContact O-N 2.93Å; Y278-P280 HydrophobicContact CD1-CG 4.08Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.79Å; Y278-P280 VanDerWaalsContact O-CD 3.31Å; Y278-P280 WeakPolarHBondContact O-CD 3.38Å |
| 279 | I | 77.2 | Confident | 84.4 | Confident | 133 Ų | 133 | 117 Ų | 117 | 68% | 0.682 | 57% | 0.565 | S | S | * | * | | | trans | -85.8 | 108.7 | 168.4 | -59.3 | 175.7 | 0 | 0 | 0 | 105.7 | L277 K281 | L277-I279 HydrophobicContact CB-CG1 4.21Å; L277-I279 PolarHBondContact O-N 3.18Å; I279-K281 PolarHBondContact O-N 3.32Å |
| 280 | P | 75.6 | Confident | 84.3 | Confident | 90 Ų | 90 | 119.5 Ų | 119.5 | 58% | 0.584 | 58% | 0.577 | S | S | * | * | | | trans | -60.6 | 108.3 | 179.9 | -17.1 | 29.4 | 0 | 0 | 0 | 108.6 | Y278 K282 | Y278-P280 HydrophobicContact CD1-CG 4.08Å; Y278-P280 HydrophobicContact CE1-CB 4.08Å; Y278-P280 HydrophobicContact CE1-CG 3.79Å; Y278-P280 VanDerWaalsContact O-CD 3.31Å; Y278-P280 WeakPolarHBondContact O-CD 3.38Å; P280-K282 PolarHBondContact O-N 2.99Å |
| 281 | K | 81.8 | Confident | 84 | Confident | 191 Ų | 191 | 126.3 Ų | 126.3 | 83% | 0.83 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 128.6 | 174.2 | -166 | 165.9 | -175.2 | 158.6 | 0 | 107 | I279 M283 | I279-K281 PolarHBondContact O-N 3.32Å; K281-M283 PolarHBondContact O-N 3.35Å |
| 282 | K | 84.8 | Confident | 83 | Confident | 186 Ų | 186 | 132.2 Ų | 132.2 | 81% | 0.809 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 118.9 | 166.8 | -78.4 | -74.7 | -172.8 | 170.6 | 0 | 107.1 | P280 | P280-K282 PolarHBondContact O-N 2.99Š|
| 283 | M | 82.8 | Confident | 82.9 | Confident | 97 Ų | 97 | 132.5 Ų | 132.5 | 48% | 0.478 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -59 | 142.4 | 176.5 | -73.8 | -84.9 | -84.1 | 0 | 0 | 107.4 | K281 A287 E288 Y291 | K281-M283 PolarHBondContact O-N 3.35Å; M283-A287 HydrophobicContact CB-CB 4.26Å; M283-A287 HydrophobicContact CE-CB 3.7Å; M283-A287 HydrophobicContact SD-CB 4.22Å; M283-E288 HydrophobicContact CB-CG 3.68Å; M283-Y291 HydrophobicContact CE-CD2 3.69Å; M283-Y291 HydrophobicContact CE-CE2 3.66Å |
| 284 | S | 88.3 | Confident | 82.7 | Confident | 70 Ų | 70 | 135.1 Ų | 135.1 | 49% | 0.49 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 146.7 | 171.4 | 139.3 | 0 | 0 | 0 | 0 | 108.7 | M286 A287 E288 | S284-M286 PolarHBondContact O-N 3.21Å; S284-M286 VanDerWaalsContact O-N 3.11Å; S284-M286 PolarHBondContact OG-N 3.07Å; S284-M286 VanDerWaalsContact OG-N 3.1Å; S284-A287 WeakPolarHBondContact O-CA 3.32Å; S284-A287 WeakPolarHBondContact O-CB 3.48Å; S284-A287 PolarHBondContact O-N 3.34Å; S284-E288 PolarHBondContact O-N 3.3Å |
| 285 | H | 90.4 | Very high | 82.7 | Confident | 139 Ų | 139 | 133.5 Ų | 133.5 | 64% | 0.644 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.3 | -37.5 | 174.1 | 176.7 | -83.2 | 0 | 0 | 0 | 112.3 | A287 E288 M289 | H285-A287 VanDerWaalsContact C-N 3.32Å; H285-A287 PolarHBondContact O-N 3.39Å; H285-E288 PolarHBondContact O-N 3.38Å; H285-M289 WeakPolarHBondContact O-CG 3.11Å; H285-M289 PolarHBondContact O-N 3.06Å |
| 286 | M | 90.4 | Very high | 82.9 | Confident | 149 Ų | 149 | 130.5 Ų | 130.5 | 73% | 0.734 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.2 | -37.5 | 174.8 | -69.4 | -174.3 | 69.3 | 0 | 0 | 112.6 | S284 M290 | S284-M286 PolarHBondContact O-N 3.21Å; S284-M286 VanDerWaalsContact O-N 3.11Å; S284-M286 PolarHBondContact OG-N 3.07Å; S284-M286 VanDerWaalsContact OG-N 3.1Å; M286-M290 WeakPolarHBondContact O-CG 3.49Å |
| 287 | A | 85.5 | Confident | 83.1 | Confident | 28 Ų | 28 | 129.9 Ų | 129.9 | 23% | 0.231 | 64% | 0.637 | C | S | . | * | H | α-helix | trans | -72.7 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | M283 S284 H285 M289 M290 Y291 | M283-A287 HydrophobicContact CB-CB 4.26Å; M283-A287 HydrophobicContact CE-CB 3.7Å; M283-A287 HydrophobicContact SD-CB 4.22Å; S284-A287 WeakPolarHBondContact O-CA 3.32Å; S284-A287 WeakPolarHBondContact O-CB 3.48Å; S284-A287 PolarHBondContact O-N 3.34Å; H285-A287 VanDerWaalsContact C-N 3.32Å; H285-A287 PolarHBondContact O-N 3.39Å; A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 2.82Å; A287-M290 PolarHBondContact O-N 3.46Å; A287-M290 VanDerWaalsContact O-N 3.11Å; A287-Y291 WeakPolarHBondContact O-CD2 3.44Å |
| 288 | E | 85.8 | Confident | 83.1 | Confident | 91 Ų | 91 | 132.2 Ų | 132.2 | 43% | 0.425 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -56.5 | -45 | 175.4 | -66.5 | -179 | 167.5 | 0 | 0 | 111.4 | M283 S284 H285 M290 Y291 T292 | M283-E288 HydrophobicContact CB-CG 3.68Å; S284-E288 PolarHBondContact O-N 3.3Å; H285-E288 PolarHBondContact O-N 3.38Å; E288-M290 PolarHBondContact O-N 3.43Å; E288-M290 VanDerWaalsContact O-N 3.17Å; E288-Y291 PolarHBondContact O-N 3.31Å; E288-T292 PolarHBondContact O-N 3.12Å |
| 289 | M | 92.1 | Very high | 83.6 | Confident | 109 Ų | 109 | 127.2 Ų | 127.2 | 54% | 0.537 | 64% | 0.636 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.8 | -12.7 | 178.4 | -68.9 | -63.7 | -55.4 | 0 | 0 | 115.4 | H285 A287 | H285-M289 WeakPolarHBondContact O-CG 3.11Å; H285-M289 PolarHBondContact O-N 3.06Å; A287-M289 VanDerWaalsContact C-N 3.3Å; A287-M289 PolarHBondContact O-N 2.82Å |
| 290 | M | 87.1 | Confident | 84.1 | Confident | 147 Ų | 147 | 126.8 Ų | 126.8 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -16.7 | 176.8 | -67.2 | -70.7 | 91.1 | 0 | 0 | 113.1 | M286 A287 E288 | M286-M290 WeakPolarHBondContact O-CG 3.49Å; A287-M290 PolarHBondContact O-N 3.46Å; A287-M290 VanDerWaalsContact O-N 3.11Å; E288-M290 PolarHBondContact O-N 3.43Å; E288-M290 VanDerWaalsContact O-N 3.17Å |
| 291 | Y | 78.7 | Confident | 84.8 | Confident | 191 Ų | 191 | 129.8 Ų | 129.8 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | | | trans | -111.9 | 3.8 | -175.4 | -68.8 | -74.1 | 0 | 0 | 0 | 113.7 | M283 A287 E288 | M283-Y291 HydrophobicContact CE-CD2 3.69Å; M283-Y291 HydrophobicContact CE-CE2 3.66Å; A287-Y291 WeakPolarHBondContact O-CD2 3.44Å; E288-Y291 PolarHBondContact O-N 3.31Å |
| 292 | T | 69.3 | Low | 85 | Confident | 160 Ų | 160 | 124.3 Ų | 124.3 | 98% | 0.982 | 62% | 0.618 | S | S | * | * | | | trans | -95.6 | 0 | 170.2 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | E288 | E288-T292 PolarHBondContact O-N 3.12Š|