| 1 | M | 43.5 | Very low | 45.9 | Very low | 244 Ų | 244 | 176 Ų | 176 | 100% | 1.202 | 85% | 0.846 | S | S | * | * | | | | 0 | 90.5 | 0 | -84.4 | 175.6 | 152.7 | 0 | 0 | 108.9 | | |
| 2 | T | 50.8 | Low | 46 | Very low | 125 Ų | 125 | 173.3 Ų | 173.3 | 77% | 0.767 | 84% | 0.84 | S | S | * | * | | | trans | -151.7 | 103.2 | 166.6 | 31 | 0 | 0 | 0 | 0 | 106.7 | W4 | T2-W4 PolarHBondContact O-N 3.44Š|
| 3 | H | 38 | Very low | 46.2 | Very low | 192 Ų | 192 | 172 Ų | 172 | 89% | 0.889 | 84% | 0.839 | S | S | * | * | | | trans | -69.8 | 117 | 172.3 | -103.6 | -105.2 | 0 | 0 | 0 | 108.6 | | |
| 4 | W | 51.3 | Low | 45.8 | Very low | 230 Ų | 230 | 175.3 Ų | 175.3 | 87% | 0.871 | 85% | 0.848 | S | S | * | * | | | trans | -113.7 | 109.7 | 159 | -74.7 | 88.4 | 0 | 0 | 0 | 108.5 | T2 V6 | T2-W4 PolarHBondContact O-N 3.44Å; W4-V6 PolarHBondContact O-N 3.23Å |
| 5 | M | 43.6 | Very low | 45.6 | Very low | 164 Ų | 164 | 171.2 Ų | 171.2 | 81% | 0.808 | 84% | 0.844 | S | S | * | * | | | trans | -78.2 | 110.3 | -174.3 | -168.7 | 175.8 | 166.5 | 0 | 0 | 108.5 | K7 | M5-K7 PolarHBondContact O-N 3.45Š|
| 6 | V | 46.5 | Very low | 45.4 | Very low | 120 Ų | 120 | 168.1 Ų | 168.1 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | | | trans | -72.3 | 107.7 | 171.1 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | W4 F8 | W4-V6 PolarHBondContact O-N 3.23Å; V6-F8 HydrophobicContact CG1-CD2 4.42Å; V6-F8 HydrophobicContact CG1-CE2 4.45Å; V6-F8 PolarHBondContact O-N 3.42Å |
| 7 | K | 50.5 | Low | 45.2 | Very low | 177 Ų | 177 | 167.4 Ų | 167.4 | 77% | 0.77 | 84% | 0.843 | S | S | * | * | | | trans | -76.1 | 106.6 | 164.8 | -87.3 | -178.6 | 175.4 | 173.1 | 0 | 108.1 | M5 V9 | M5-K7 PolarHBondContact O-N 3.45Å; K7-V9 PolarHBondContact O-N 3.15Å; K7-V9 VanDerWaalsContact O-N 3.15Å |
| 8 | F | 43.2 | Very low | 44.9 | Very low | 193 Ų | 193 | 165.7 Ų | 165.7 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | | | trans | -59.5 | 110.5 | 161 | -84.9 | -92.5 | 0 | 0 | 0 | 108.7 | V6 K10 | V6-F8 HydrophobicContact CG1-CD2 4.42Å; V6-F8 HydrophobicContact CG1-CE2 4.45Å; V6-F8 PolarHBondContact O-N 3.42Å; F8-K10 PolarHBondContact O-N 3.31Å |
| 9 | V | 46.4 | Very low | 44.5 | Very low | 138 Ų | 138 | 163.4 Ų | 163.4 | 84% | 0.836 | 84% | 0.843 | S | S | * | * | | | trans | -77.9 | 114.8 | 160.9 | 174.2 | 0 | 0 | 0 | 0 | 106.2 | K7 | K7-V9 PolarHBondContact O-N 3.15Å; K7-V9 VanDerWaalsContact O-N 3.15Å |
| 10 | K | 46.4 | Very low | 44.2 | Very low | 183 Ų | 183 | 160.2 Ų | 160.2 | 80% | 0.796 | 84% | 0.842 | S | S | * | * | | | trans | -49.4 | 136.2 | 178 | -161.8 | 169.5 | 178.4 | 177.1 | 0 | 111.3 | F8 | F8-K10 PolarHBondContact O-N 3.31Š|
| 11 | E | 44.8 | Very low | 44 | Very low | 170 Ų | 170 | 157.9 Ų | 157.9 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | | | trans | -40.7 | 139 | 164.7 | -62.4 | 159.7 | 150.2 | 0 | 0 | 111.4 | | |
| 12 | D | 47.6 | Very low | 43.9 | Very low | 144 Ų | 144 | 153.5 Ų | 153.5 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | trans | 157.3 | 96.3 | 153.4 | -79.5 | -24.3 | 0 | 0 | 0 | 106.3 | | |
| 13 | N | 47.6 | Very low | 43.9 | Very low | 156 Ų | 156 | 154.9 Ų | 154.9 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | 171.1 | -1.2 | 153.4 | -86 | -35.4 | 0 | 0 | 0 | 114.8 | S15 | N13-S15 PolarHBondContact O-N 3.42Š|
| 14 | F | 40.9 | Very low | 43.9 | Very low | 218 Ų | 218 | 149.5 Ų | 149.5 | 96% | 0.956 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 70 | 173 | -81.3 | -84 | 0 | 0 | 0 | 112 | | |
| 15 | S | 43.6 | Very low | 43.3 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150.6 | 6.6 | 165.6 | 66.4 | 0 | 0 | 0 | 0 | 115.4 | N13 L17 | N13-S15 PolarHBondContact O-N 3.42Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.15Å |
| 16 | S | 42.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | | | trans | -85.7 | 8.9 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 17 | L | 42.2 | Very low | 43.3 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -106.4 | 131.3 | 171.5 | -89.5 | 156.5 | 0 | 0 | 0 | 108.4 | S15 | S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 3.15Å |
| 18 | V | 39.5 | Very low | 43.1 | Very low | 137 Ų | 137 | 151.3 Ų | 151.3 | 83% | 0.83 | 83% | 0.83 | S | S | * | * | S | Bend | trans | 87.5 | 69.2 | 175.4 | -159.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 19 | S | 36.6 | Very low | 43.8 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | | | trans | 176.6 | 86.1 | 140.3 | -83.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 20 | A | 39.5 | Very low | 43.7 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | | | trans | -138.9 | 80.6 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 21 | V | 40.3 | Very low | 43.9 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 68% | 0.679 | 83% | 0.827 | S | S | * | * | | | trans | 53.5 | 101.4 | 132.6 | -177.9 | 0 | 0 | 0 | 0 | 116.6 | L23 | V21-L23 HydrophobicContact CG1-CB 4.29Å; V21-L23 HydrophobicContact CG1-CD1 3.48Å; V21-L23 VanDerWaalsContact CG1-CD1 3.48Å; V21-L23 HydrophobicContact CG1-CG 3.5Å; V21-L23 VanDerWaalsContact CG1-CG 3.5Å; V21-L23 PolarHBondContact O-N 2.91Å; V21-L23 VanDerWaalsContact O-N 3.15Å |
| 22 | V | 41 | Very low | 44.2 | Very low | 151 Ų | 151 | 152.4 Ų | 152.4 | 92% | 0.915 | 83% | 0.833 | S | S | * | * | | | trans | -56.4 | 102.7 | 151.3 | 175.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 23 | L | 49.8 | Very low | 44.6 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 81% | 0.806 | 83% | 0.834 | S | S | * | * | | | trans | -138.5 | 110.3 | 159.3 | -74.6 | 167.1 | 0 | 0 | 0 | 104.3 | V21 | V21-L23 HydrophobicContact CG1-CB 4.29Å; V21-L23 HydrophobicContact CG1-CD1 3.48Å; V21-L23 VanDerWaalsContact CG1-CD1 3.48Å; V21-L23 HydrophobicContact CG1-CG 3.5Å; V21-L23 VanDerWaalsContact CG1-CG 3.5Å; V21-L23 PolarHBondContact O-N 2.91Å; V21-L23 VanDerWaalsContact O-N 3.15Å |
| 24 | G | 38 | Very low | 45 | Very low | 80 Ų | 80 | 149.1 Ų | 149.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | | 97.6 | 110.9 | 65.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 25 | G | 38.8 | Very low | 45.3 | Very low | 78 Ų | 78 | 149.9 Ų | 149.9 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | | | trans | 141.8 | 79.3 | 168 | 0 | 0 | 0 | 0 | 0 | 115.8 | H27 | G25-H27 PolarHBondContact O-N 2.8Š|
| 26 | R | 44.5 | Very low | 45.9 | Very low | 258 Ų | 258 | 154.5 Ų | 154.5 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | | | trans | -68.6 | 122 | 157.3 | -75.6 | 176.2 | 171 | 177.8 | -1.6 | 108.3 | | |
| 27 | H | 46.9 | Very low | 45.8 | Very low | 161 Ų | 161 | 154.2 Ų | 154.2 | 75% | 0.745 | 83% | 0.826 | S | S | * | * | | | trans | -136.4 | 98.9 | 156.1 | -158.8 | 0.1 | 0 | 0 | 0 | 110 | G25 | G25-H27 PolarHBondContact O-N 2.8Š|
| 28 | R | 45.3 | Very low | 46.5 | Very low | 231 Ų | 231 | 154.8 Ų | 154.8 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | | | trans | -70.5 | 126.8 | 155.5 | -84.3 | 177 | 167.1 | 168.1 | -4.6 | 107 | | |
| 29 | Q | 58.1 | Low | 46.6 | Very low | 169 Ų | 169 | 155.5 Ų | 155.5 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | trans | -151.9 | 144.6 | 136 | -77.3 | -154.4 | -21.2 | 0 | 0 | 110.9 | | |
| 30 | H | 43.6 | Very low | 47.3 | Very low | 174 Ų | 174 | 155 Ų | 155 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | | | trans | -75.1 | 140 | -175.3 | -65.2 | -91.9 | 0 | 0 | 0 | 111.6 | | |
| 31 | S | 52.1 | Low | 47.8 | Very low | 117 Ų | 117 | 156 Ų | 156 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -140.4 | 101.6 | 148.8 | 59 | 0 | 0 | 0 | 0 | 108.9 | | |
| 32 | R | 50.6 | Low | 48.3 | Very low | 248 Ų | 248 | 161.1 Ų | 161.1 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | | | trans | -61.3 | 133.3 | 166 | -71.8 | 173.3 | 165.5 | 172.6 | -4.6 | 108.5 | | |
| 33 | S | 56 | Low | 48.8 | Very low | 111 Ų | 111 | 160.2 Ų | 160.2 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | trans | -128 | 148.5 | 159.2 | 57.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 34 | P | 56 | Low | 49 | Very low | 119 Ų | 119 | 164.5 Ų | 164.5 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | | | trans | -85.8 | 142.8 | -144 | -11.4 | 29.2 | 0 | 0 | 0 | 114 | K36 | P34-K36 PolarHBondContact O-N 3.37Å; P34-K36 VanDerWaalsContact O-N 3.13Å |
| 35 | R | 46.1 | Very low | 49.7 | Very low | 234 Ų | 234 | 171 Ų | 171 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -53.2 | 109.6 | 163.4 | -126.2 | 175.8 | 178.5 | 177.3 | -2.2 | 109 | T37 | R35-T37 PolarHBondContact O-N 2.81Š|
| 36 | K | 56 | Low | 50.2 | Low | 211 Ų | 211 | 173.6 Ų | 173.6 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | | | trans | -84.5 | 97 | 163.6 | -78.1 | -172.9 | 176.1 | -178 | 0 | 108.5 | P34 | P34-K36 PolarHBondContact O-N 3.37Å; P34-K36 VanDerWaalsContact O-N 3.13Å |
| 37 | T | 40.9 | Very low | 50.5 | Low | 116 Ų | 116 | 166.4 Ų | 166.4 | 71% | 0.712 | 81% | 0.811 | S | S | * | * | | | trans | -108.8 | 113.6 | 157.3 | 41.4 | 0 | 0 | 0 | 0 | 106.3 | R35 | R35-T37 PolarHBondContact O-N 2.81Š|
| 38 | L | 56.3 | Low | 50.9 | Low | 169 Ų | 169 | 163.8 Ų | 163.8 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | | | trans | -153 | 100 | 159.2 | -103.7 | 164.5 | 0 | 0 | 0 | 107.6 | S40 | L38-S40 PolarHBondContact O-N 3.26Š|
| 39 | D | 43 | Very low | 51.2 | Low | 152 Ų | 152 | 159.9 Ų | 159.9 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | -46.7 | 126.4 | 152.5 | -110.7 | -41.1 | 0 | 0 | 0 | 109.2 | | |
| 40 | S | 51.4 | Low | 50.9 | Low | 110 Ų | 110 | 162.7 Ų | 162.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -150.3 | 78 | 162.6 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | L38 R42 | L38-S40 PolarHBondContact O-N 3.26Å; S40-R42 PolarHBondContact O-N 3.44Å |
| 41 | T | 48.3 | Very low | 51.1 | Low | 121 Ų | 121 | 161.3 Ų | 161.3 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | | | trans | -60.8 | 111.3 | 151.4 | 35.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 42 | R | 52.4 | Low | 51.2 | Low | 219 Ų | 219 | 165.2 Ų | 165.2 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | | | trans | 171.8 | 126.4 | 140.7 | -100.2 | 167.2 | 173.7 | 155 | -1.4 | 111 | S40 | S40-R42 PolarHBondContact O-N 3.44Š|
| 43 | D | 51.6 | Low | 50.8 | Low | 133 Ų | 133 | 157.1 Ų | 157.1 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | 61.4 | 104.6 | 143.6 | -53.8 | -32.5 | 0 | 0 | 0 | 117.6 | | |
| 44 | R | 52.3 | Low | 50 | Low | 244 Ų | 244 | 157 Ų | 157 | 92% | 0.921 | 81% | 0.814 | S | S | * | * | | | | 176.3 | 92 | 117 | -89.9 | 155 | -171.4 | 179.6 | 3.6 | 111.6 | | |
| 45 | R | 52.9 | Low | 49.5 | Very low | 216 Ų | 216 | 156.2 Ų | 156.2 | 82% | 0.815 | 81% | 0.811 | S | S | * | * | | | | 42.2 | 110.1 | 129.9 | -154.4 | -179.8 | -152.8 | 160.7 | 4.5 | 118 | T47 | R45-T47 HydrophobicContact CG-CG2 4.05Š|
| 46 | P | 50.1 | Low | 49.9 | Very low | 132 Ų | 132 | 153.7 Ų | 153.7 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | trans | -95.3 | 110.4 | 156.7 | 32.1 | -21.1 | 0 | 0 | 0 | 109.2 | | |
| 47 | T | 50.7 | Low | 50 | Low | 108 Ų | 108 | 148.2 Ų | 148.2 | 66% | 0.663 | 80% | 0.798 | S | S | * | * | | | trans | -134.8 | 135.4 | 166.6 | 50.3 | 0 | 0 | 0 | 0 | 109.7 | R45 | R45-T47 HydrophobicContact CG-CG2 4.05Š|
| 48 | S | 55.5 | Low | 50.5 | Low | 106 Ų | 106 | 152.3 Ų | 152.3 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | | | trans | 104.4 | 85.6 | 156.9 | -161.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 49 | N | 52.2 | Low | 50.2 | Low | 148 Ų | 148 | 154.4 Ų | 154.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | | 42.7 | 112.7 | 119.6 | -65.5 | -10 | 0 | 0 | 0 | 120.9 | | |
| 50 | R | 50.4 | Low | 50.1 | Low | 228 Ų | 228 | 151 Ų | 151 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | | 35.5 | 128.1 | 118.8 | -84.5 | -179 | 177.7 | 160 | -0.9 | 119.3 | | |
| 51 | N | 48.2 | Very low | 50 | Low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | 101 | 80.8 | 148.2 | -59.9 | -10.3 | 0 | 0 | 0 | 117.6 | | |
| 52 | E | 53.8 | Low | 50.2 | Low | 200 Ų | 200 | 152.7 Ų | 152.7 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | | | trans | -143.5 | 116.3 | 143.6 | -63.9 | -174.5 | 169.1 | 0 | 0 | 105.4 | | |
| 53 | G | 43.5 | Very low | 50.1 | Low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | cis | 106.5 | 93.2 | 44.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 54 | A | 38.7 | Very low | 50.2 | Low | 110 Ų | 110 | 148.6 Ų | 148.6 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -55 | 130.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 55 | S | 45.2 | Very low | 50.3 | Low | 102 Ų | 102 | 145.6 Ų | 145.6 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | | | trans | -178.7 | 93.6 | 155.8 | 163.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 56 | L | 54.9 | Low | 50.2 | Low | 180 Ų | 180 | 143.3 Ų | 143.3 | 94% | 0.942 | 82% | 0.82 | S | S | * | * | | | trans | -126 | 109.4 | 158.2 | -166.6 | 69.3 | 0 | 0 | 0 | 108.5 | | |
| 57 | V | 57.2 | Low | 50.1 | Low | 97 Ų | 97 | 139.6 Ų | 139.6 | 59% | 0.588 | 81% | 0.806 | S | S | * | * | | | trans | -73.3 | 119.6 | -176.9 | 171.5 | 0 | 0 | 0 | 0 | 109.5 | Y59 | V57-Y59 HydrophobicContact CG1-CD2 3.36Å; V57-Y59 HydrophobicContact CG1-CE2 4.05Å; V57-Y59 HydrophobicContact CG1-CG 4.3Å |
| 58 | E | 52.1 | Low | 50.2 | Low | 202 Ų | 202 | 141.5 Ų | 141.5 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | | | trans | -91.1 | 99.8 | 160.7 | -84.1 | -172.7 | 157.7 | 0 | 0 | 108.1 | | |
| 59 | Y | 49.6 | Very low | 50.1 | Low | 213 Ų | 213 | 144.5 Ų | 144.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -95.6 | 126.4 | 168.6 | -113.8 | -108.8 | 0 | 0 | 0 | 109.5 | V57 | V57-Y59 HydrophobicContact CG1-CD2 3.36Å; V57-Y59 HydrophobicContact CG1-CE2 4.05Å; V57-Y59 HydrophobicContact CG1-CG 4.3Å |
| 60 | G | 41.6 | Very low | 49.8 | Very low | 79 Ų | 79 | 146.5 Ų | 146.5 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | -65.2 | 144 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 61 | S | 48.2 | Very low | 49.8 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -134.1 | 107 | 168.7 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 62 | N | 54.1 | Low | 49.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | | | trans | -142.4 | 80 | 162.6 | -81.3 | -32.4 | 0 | 0 | 0 | 105.9 | | |
| 63 | D | 50.3 | Low | 49.5 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | trans | -117.5 | 130.9 | 170.3 | -79.9 | -32.4 | 0 | 0 | 0 | 109.2 | | |
| 64 | S | 51.9 | Low | 49.5 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 80.1 | 94.1 | 160.4 | -50 | 0 | 0 | 0 | 0 | 118.5 | | |
| 65 | L | 55.6 | Low | 50.3 | Low | 181 Ų | 181 | 150.8 Ų | 150.8 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | | | trans | -140.4 | 89 | 135 | -93.2 | 174.9 | 0 | 0 | 0 | 107.9 | | |
| 66 | D | 49.6 | Very low | 50.4 | Low | 169 Ų | 169 | 152 Ų | 152 | 90% | 0.904 | 82% | 0.817 | S | S | * | * | | | trans | -110.6 | 135.3 | 166.6 | -150.5 | 4.4 | 0 | 0 | 0 | 106.7 | | |
| 67 | G | 49.2 | Very low | 50.1 | Low | 54 Ų | 54 | 152.4 Ų | 152.4 | 56% | 0.557 | 81% | 0.814 | S | S | * | * | | | trans | 94.6 | 139.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 68 | L | 52 | Low | 49.5 | Very low | 148 Ų | 148 | 153.6 Ų | 153.6 | 78% | 0.775 | 83% | 0.826 | S | S | * | * | | | cis | -172.5 | 151.6 | 9.2 | -154.3 | 98.9 | 0 | 0 | 0 | 105.7 | | |
| 69 | E | 53.6 | Low | 49.5 | Very low | 168 Ų | 168 | 147.2 Ų | 147.2 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | 79.5 | 89.5 | 154.2 | -72.7 | 175.3 | -172 | 0 | 0 | 121 | K71 | E69-K71 PolarHBondContact O-N 3.39Š|
| 70 | E | 46.3 | Very low | 49.5 | Very low | 190 Ų | 190 | 147 Ų | 147 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | | | | -26 | 113.5 | 129.5 | -170.4 | -178.7 | -156.3 | 0 | 0 | 115.7 | | |
| 71 | K | 50.6 | Low | 49.5 | Very low | 202 Ų | 202 | 149 Ų | 149 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | | | trans | -155.1 | 114.2 | 146.7 | -150.6 | 108 | 172.7 | -169.7 | 0 | 111.5 | E69 | E69-K71 PolarHBondContact O-N 3.39Š|
| 72 | S | 45.7 | Very low | 49.6 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | | | trans | -62 | 143.8 | 175.3 | 25.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 73 | R | 49.4 | Very low | 49.6 | Very low | 226 Ų | 226 | 149.7 Ų | 149.7 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | | | | 161.3 | 113.2 | 125.9 | -87.3 | 167.4 | 178.5 | 171.1 | 0.4 | 112.6 | | |
| 74 | D | 44.2 | Very low | 49.6 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | | | trans | 40.1 | 103.8 | 135.6 | -51.1 | -35.4 | 0 | 0 | 0 | 120.2 | | |
| 75 | L | 56 | Low | 49.6 | Very low | 175 Ų | 175 | 150 Ų | 150 | 92% | 0.916 | 83% | 0.829 | S | S | * | * | | | trans | -143.3 | 116.5 | 142.5 | -85.5 | 172.9 | 0 | 0 | 0 | 108.4 | | |
| 76 | P | 46.3 | Very low | 49.3 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -93.4 | 114.4 | 169.4 | 33 | -24.2 | 0 | 0 | 0 | 109 | | |
| 77 | E | 49 | Very low | 49.7 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -136.9 | 117.5 | 162.5 | -141.3 | 173.6 | -167.7 | 0 | 0 | 110.9 | | |
| 78 | S | 45.4 | Very low | 49.8 | Very low | 122 Ų | 122 | 154.8 Ų | 154.8 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | | | trans | -51.4 | 129.2 | 176.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | | |
| 79 | G | 51.2 | Low | 50.2 | Low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -173.7 | 76.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 80 | K | 49.4 | Very low | 50.4 | Low | 209 Ų | 209 | 157.3 Ų | 157.3 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | 51.6 | 73.5 | 155.1 | -58.5 | 178.4 | -179.4 | 176.5 | 0 | 115.8 | G82 | K80-G82 PolarHBondContact O-N 2.94Å; K80-G82 VanDerWaalsContact O-N 3.09Å |
| 81 | S | 42.4 | Very low | 51.1 | Low | 121 Ų | 121 | 157 Ų | 157 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | | | trans | -73.9 | 91.8 | 162.6 | 57.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 82 | G | 48.9 | Very low | 51.7 | Low | 75 Ų | 75 | 158.7 Ų | 158.7 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | | | trans | -147.3 | 11.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K80 | K80-G82 PolarHBondContact O-N 2.94Å; K80-G82 VanDerWaalsContact O-N 3.09Å |
| 83 | K | 55.2 | Low | 52.7 | Low | 206 Ų | 206 | 157.3 Ų | 157.3 | 90% | 0.896 | 82% | 0.824 | S | S | * | * | | | trans | -128.7 | 60.8 | -178.8 | -79.4 | -173.7 | 174.4 | 178.5 | 0 | 110.1 | | |
| 84 | E | 51 | Low | 53.8 | Low | 190 Ų | 190 | 154.3 Ų | 154.3 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | | | trans | -124.3 | 130.2 | 165.6 | -85.6 | 178.5 | 143.6 | 0 | 0 | 108.5 | | |
| 85 | G | 50 | Low | 55.5 | Low | 81 Ų | 81 | 151 Ų | 151 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 107 | 30.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 86 | N | 49.4 | Very low | 56.5 | Low | 127 Ų | 127 | 149.4 Ų | 149.4 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | | | trans | -134.3 | 94.3 | 155.3 | -149.5 | -13.4 | 0 | 0 | 0 | 109.8 | H88 | N86-H88 PolarHBondContact O-N 2.9Š|
| 87 | R | 57.9 | Low | 58 | Low | 241 Ų | 241 | 149.3 Ų | 149.3 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | | | trans | -58.7 | 88.6 | 166 | -74.2 | 179.3 | 177.5 | 168.3 | -1 | 106.7 | T89 | R87-T89 PolarHBondContact O-N 3.16Š|
| 88 | H | 53 | Low | 59.2 | Low | 138 Ų | 138 | 146.6 Ų | 146.6 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | trans | -63.5 | 92.7 | 170 | -88.7 | -2.7 | 0 | 0 | 0 | 107.4 | N86 R90 | N86-H88 PolarHBondContact O-N 2.9Å; H88-R90 PolarHBondContact O-N 2.98Å |
| 89 | T | 59.4 | Low | 60.5 | Low | 126 Ų | 126 | 143 Ų | 143 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -41.3 | 129.7 | 160.4 | 42.8 | 0 | 0 | 0 | 0 | 108.1 | R87 K91 | R87-T89 PolarHBondContact O-N 3.16Å; T89-K91 PolarHBondContact O-N 3.16Å |
| 90 | R | 57.5 | Low | 61.4 | Low | 242 Ų | 242 | 145.6 Ų | 145.6 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | | | trans | -40.6 | 115.1 | -174 | -67.6 | 178.6 | 173.9 | -178.8 | -1.9 | 109.8 | H88 R92 | H88-R90 PolarHBondContact O-N 2.98Å; R90-R92 PolarHBondContact O-N 2.87Å |
| 91 | K | 60.8 | Low | 62.5 | Low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -51.9 | 104.6 | 175.6 | -69.6 | 179.6 | 176.9 | -179.6 | 0 | 108.1 | T89 G93 | T89-K91 PolarHBondContact O-N 3.16Å; K91-G93 PolarHBondContact O-N 3.23Å |
| 92 | R | 63 | Low | 63.6 | Low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | | | trans | -54.2 | 135.7 | 151.4 | -69.4 | -177.6 | -175.6 | 178.6 | 1.3 | 105.2 | R90 F94 | R90-R92 PolarHBondContact O-N 2.87Å; R92-F94 PolarHBondContact O-N 3.37Å |
| 93 | G | 66.8 | Low | 64.4 | Low | 70 Ų | 70 | 147.2 Ų | 147.2 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | | | trans | -45.8 | 136.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110 | K91 D95 | K91-G93 PolarHBondContact O-N 3.23Å; G93-D95 VanDerWaalsContact C-N 3.35Å; G93-D95 PolarHBondContact O-N 3.49Å |
| 94 | F | 73.3 | Confident | 64.9 | Low | 163 Ų | 163 | 140 Ų | 140 | 72% | 0.715 | 68% | 0.68 | S | S | * | * | | | trans | -62 | 101 | 176.3 | 175.6 | -96.3 | 0 | 0 | 0 | 107.9 | R92 K96 C99 | R92-F94 PolarHBondContact O-N 3.37Å; F94-K96 HydrophobicContact CE1-CB 4.15Å; F94-K96 PolarHBondContact O-N 3.09Å; F94-C99 HydrophobicContact CE2-CB 3.95Å; F94-C99 HydrophobicContact CZ-CB 3.87Å |
| 95 | D | 79.4 | Confident | 65.5 | Low | 79 Ų | 79 | 139.9 Ų | 139.9 | 42% | 0.422 | 68% | 0.676 | S | S | . | * | | | trans | -82.6 | 108.8 | 172.4 | -174.6 | -9.3 | 0 | 0 | 0 | 107.7 | G93 D97 E98 C99 | G93-D95 VanDerWaalsContact C-N 3.35Å; G93-D95 PolarHBondContact O-N 3.49Å; D95-D97 PolarHBondContact O-N 3.05Å; D95-D97 WeakPolarHBondContact OD1-CB 3.45Å; D95-D97 PolarHBondContact OD1-N 3.45Å; D95-E98 HydrophobicContact CB-CB 3.71Å; D95-E98 PolarHBondContact O-N 3.42Å; D95-E98 PolarHBondContact OD1-N 3.04Å; D95-C99 WeakPolarHBondContact O-CB 3.49Å; D95-C99 PolarHBondContact O-N 3.49Å |
| 96 | K | 77.8 | Confident | 66.5 | Low | 143 Ų | 143 | 143.8 Ų | 143.8 | 62% | 0.622 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59.6 | -36.5 | 178 | -176.5 | -179.3 | 176 | -176.1 | 0 | 110.7 | F94 C99 M100 | F94-K96 HydrophobicContact CE1-CB 4.15Å; F94-K96 PolarHBondContact O-N 3.09Å; K96-C99 PolarHBondContact O-N 3.31Å; K96-M100 WeakPolarHBondContact O-CB 3.19Å; K96-M100 VanDerWaalsContact O-CG 3.24Å; K96-M100 WeakPolarHBondContact O-CG 3.38Å; K96-M100 PolarHBondContact O-N 3.47Å |
| 97 | D | 77.5 | Confident | 67.6 | Low | 124 Ų | 124 | 141.2 Ų | 141.2 | 66% | 0.663 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75.6 | -38.6 | -177.3 | -65.9 | -23.1 | 0 | 0 | 0 | 110.7 | D95 M100 K101 | D95-D97 PolarHBondContact O-N 3.05Å; D95-D97 WeakPolarHBondContact OD1-CB 3.45Å; D95-D97 PolarHBondContact OD1-N 3.45Å; D97-M100 PolarHBondContact O-N 2.85Å; D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 PolarHBondContact O-N 2.92Å |
| 98 | E | 75 | Confident | 68.2 | Low | 132 Ų | 132 | 134.3 Ų | 134.3 | 62% | 0.617 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -40.6 | 171.6 | -163.8 | 173.2 | -161.2 | 0 | 0 | 111.7 | D95 K101 Y102 | D95-E98 HydrophobicContact CB-CB 3.71Å; D95-E98 PolarHBondContact O-N 3.42Å; D95-E98 PolarHBondContact OD1-N 3.04Å; E98-K101 PolarHBondContact O-N 2.89Å; E98-Y102 WeakPolarHBondContact O-CB 3.17Å; E98-Y102 PolarHBondContact O-N 2.75Å |
| 99 | C | 72.2 | Confident | 69.3 | Low | 45 Ų | 45 | 135.4 Ų | 135.4 | 30% | 0.304 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60.7 | -49.9 | 174.4 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | F94 D95 K96 K101 Y102 M103 | F94-C99 HydrophobicContact CE2-CB 3.95Å; F94-C99 HydrophobicContact CZ-CB 3.87Å; D95-C99 WeakPolarHBondContact O-CB 3.49Å; D95-C99 PolarHBondContact O-N 3.49Å; K96-C99 PolarHBondContact O-N 3.31Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.19Å; C99-Y102 PolarHBondContact O-N 3.1Å; C99-M103 WeakPolarHBondContact O-CB 3.43Å; C99-M103 VanDerWaalsContact O-CG 3.32Å; C99-M103 WeakPolarHBondContact O-CG 3.44Å; C99-M103 PolarHBondContact O-N 3.41Å |
| 100 | M | 70.3 | Confident | 70.3 | Confident | 125 Ų | 125 | 134.8 Ų | 134.8 | 62% | 0.616 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66 | -30.2 | 178.2 | -67.4 | -55.6 | -61.9 | 0 | 0 | 112.4 | K96 D97 | K96-M100 WeakPolarHBondContact O-CB 3.19Å; K96-M100 VanDerWaalsContact O-CG 3.24Å; K96-M100 WeakPolarHBondContact O-CG 3.38Å; K96-M100 PolarHBondContact O-N 3.47Å; D97-M100 PolarHBondContact O-N 2.85Å |
| 101 | K | 71.9 | Confident | 71.2 | Confident | 168 Ų | 168 | 127 Ų | 127 | 73% | 0.73 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.5 | -38.7 | 174 | -170.2 | 179.1 | -178.8 | -176.9 | 0 | 112.2 | D97 E98 C99 S104 | D97-K101 VanDerWaalsContact O-CB 3.23Å; D97-K101 WeakPolarHBondContact O-CB 3.45Å; D97-K101 PolarHBondContact O-N 2.92Å; E98-K101 PolarHBondContact O-N 2.89Å; C99-K101 VanDerWaalsContact C-N 3.27Å; C99-K101 PolarHBondContact O-N 3.19Å; K101-S104 WeakPolarHBondContact O-CA 3.35Å; K101-S104 VanDerWaalsContact O-CB 3.27Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 3.17Å |
| 102 | Y | 64.9 | Low | 71.9 | Confident | 182 Ų | 182 | 126.1 Ų | 126.1 | 71% | 0.714 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -30.6 | 177.4 | -169.7 | -91.7 | 0 | 0 | 0 | 112.6 | E98 C99 S104 | E98-Y102 WeakPolarHBondContact O-CB 3.17Å; E98-Y102 PolarHBondContact O-N 2.75Å; C99-Y102 PolarHBondContact O-N 3.1Å; Y102-S104 PolarHBondContact O-N 3.42Å |
| 103 | M | 65.3 | Low | 72.6 | Confident | 89 Ų | 89 | 117.1 Ų | 117.1 | 44% | 0.438 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -67.3 | 39.1 | 161.2 | -65.9 | -62.1 | -62.5 | 0 | 0 | 111.6 | C99 Q107 | C99-M103 WeakPolarHBondContact O-CB 3.43Å; C99-M103 VanDerWaalsContact O-CG 3.32Å; C99-M103 WeakPolarHBondContact O-CG 3.44Å; C99-M103 PolarHBondContact O-N 3.41Å; M103-Q107 PolarHBondContact SD-OE1 3.49Å |
| 104 | S | 66 | Low | 73 | Confident | 55 Ų | 55 | 119.1 Ų | 119.1 | 39% | 0.385 | 56% | 0.559 | S | S | . | * | | | trans | -57.1 | 153.8 | -173.8 | 74.4 | 0 | 0 | 0 | 0 | 110.3 | K101 Y102 K106 Q107 | K101-S104 WeakPolarHBondContact O-CA 3.35Å; K101-S104 VanDerWaalsContact O-CB 3.27Å; K101-S104 WeakPolarHBondContact O-CB 3.33Å; K101-S104 PolarHBondContact O-N 3.17Å; Y102-S104 PolarHBondContact O-N 3.42Å; S104-K106 PolarHBondContact O-N 2.88Å; S104-Q107 PolarHBondContact O-N 3.19Å |
| 105 | K | 64 | Low | 72.7 | Confident | 187 Ų | 187 | 120.3 Ų | 120.3 | 81% | 0.813 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -39.2 | -24.9 | 175.5 | -64.1 | 175.4 | 179.8 | 177.5 | 0 | 114.5 | K109 | K105-K109 WeakPolarHBondContact O-CB 3.41Å; K105-K109 PolarHBondContact O-N 2.97Å |
| 106 | K | 71.3 | Confident | 72 | Confident | 162 Ų | 162 | 123.1 Ų | 123.1 | 70% | 0.704 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.1 | -49.8 | 175.2 | -165.6 | 178.1 | 179.5 | -175.1 | 0 | 112.9 | S104 K109 E110 | S104-K106 PolarHBondContact O-N 2.88Å; K106-K109 PolarHBondContact O-N 2.92Å; K106-E110 WeakPolarHBondContact O-CB 3.17Å; K106-E110 PolarHBondContact O-N 3.08Å |
| 107 | Q | 71.5 | Confident | 71.2 | Confident | 74 Ų | 74 | 121 Ų | 121 | 35% | 0.346 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.4 | -38.4 | 178.7 | -73 | -177.2 | -22 | 0 | 0 | 111.6 | M103 S104 K109 E110 L111 | M103-Q107 PolarHBondContact SD-OE1 3.49Å; S104-Q107 PolarHBondContact O-N 3.19Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 2.86Å; Q107-E110 PolarHBondContact O-N 3.46Å; Q107-L111 WeakPolarHBondContact O-CB 3.25Å; Q107-L111 WeakPolarHBondContact O-CG 3.14Å; Q107-L111 PolarHBondContact O-N 2.74Å |
| 108 | M | 70.8 | Confident | 70.3 | Confident | 95 Ų | 95 | 119.5 Ų | 119.5 | 47% | 0.468 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -34.4 | 174.2 | -71 | -62.9 | -68.7 | 0 | 0 | 112.5 | R112 | M108-R112 VanDerWaalsContact O-CB 3.25Å; M108-R112 WeakPolarHBondContact O-CB 3.44Å; M108-R112 WeakPolarHBondContact O-CG 3.36Å; M108-R112 PolarHBondContact O-N 3.34Å |
| 109 | K | 77.2 | Confident | 69 | Low | 161 Ų | 161 | 119.9 Ų | 119.9 | 70% | 0.7 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71 | -38.4 | 175.2 | -171.6 | 178.3 | -178.3 | -176.1 | 0 | 111.2 | K105 K106 Q107 A113 | K105-K109 WeakPolarHBondContact O-CB 3.41Å; K105-K109 PolarHBondContact O-N 2.97Å; K106-K109 PolarHBondContact O-N 2.92Å; Q107-K109 VanDerWaalsContact C-N 3.32Å; Q107-K109 PolarHBondContact O-N 2.86Å; K109-A113 WeakPolarHBondContact O-CB 3.32Å; K109-A113 PolarHBondContact O-N 3.47Å |
| 110 | E | 79.4 | Confident | 67.9 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68 | -45.7 | 176.1 | -173 | 171.3 | -175.1 | 0 | 0 | 112 | K106 Q107 R112 A113 Q114 | K106-E110 WeakPolarHBondContact O-CB 3.17Å; K106-E110 PolarHBondContact O-N 3.08Å; Q107-E110 PolarHBondContact O-N 3.46Å; E110-R112 PolarHBondContact O-N 2.91Å; E110-A113 WeakPolarHBondContact O-CB 3.49Å; E110-A113 PolarHBondContact O-N 2.93Å; E110-Q114 WeakPolarHBondContact O-CG 3.27Å; E110-Q114 PolarHBondContact O-N 3.45Å |
| 111 | L | 76.1 | Confident | 67.1 | Low | 78 Ų | 78 | 121.4 Ų | 121.4 | 41% | 0.408 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -61.7 | -44 | 173.1 | -72.7 | 171.2 | 0 | 0 | 0 | 111.4 | Q107 A113 Q114 Y115 | Q107-L111 WeakPolarHBondContact O-CB 3.25Å; Q107-L111 WeakPolarHBondContact O-CG 3.14Å; Q107-L111 PolarHBondContact O-N 2.74Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 2.79Å; L111-Q114 PolarHBondContact O-N 3.25Å; L111-Q114 VanDerWaalsContact O-N 3.17Å; L111-Y115 WeakPolarHBondContact O-CD2 3.4Å; L111-Y115 PolarHBondContact O-N 2.84Å |
| 112 | R | 76.2 | Confident | 66.3 | Low | 168 Ų | 168 | 122 Ų | 122 | 63% | 0.634 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.9 | -39.1 | 174.3 | -79.7 | 177 | -178.2 | -155.8 | 0.2 | 112.4 | M108 E110 Y115 L116 | M108-R112 VanDerWaalsContact O-CB 3.25Å; M108-R112 WeakPolarHBondContact O-CB 3.44Å; M108-R112 WeakPolarHBondContact O-CG 3.36Å; M108-R112 PolarHBondContact O-N 3.34Å; E110-R112 PolarHBondContact O-N 2.91Å; R112-Y115 PolarHBondContact O-N 2.84Å; R112-L116 WeakPolarHBondContact O-CB 3.46Å; R112-L116 WeakPolarHBondContact O-CG 3.32Å; R112-L116 PolarHBondContact O-N 3.02Å; R112-L116 VanDerWaalsContact O-N 3.1Å |
| 113 | A | 77.6 | Confident | 65.5 | Low | 46 Ų | 46 | 117.9 Ų | 117.9 | 38% | 0.38 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62.9 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K109 E110 L111 Y115 L116 S117 | K109-A113 WeakPolarHBondContact O-CB 3.32Å; K109-A113 PolarHBondContact O-N 3.47Å; E110-A113 WeakPolarHBondContact O-CB 3.49Å; E110-A113 PolarHBondContact O-N 2.93Å; L111-A113 VanDerWaalsContact C-N 3.3Å; L111-A113 PolarHBondContact O-N 2.79Å; A113-Y115 PolarHBondContact O-N 3.02Å; A113-L116 CarbonylContact O-C 3.58Å; A113-L116 PolarHBondContact O-N 3.27Å; A113-S117 WeakPolarHBondContact O-CB 3.24Å; A113-S117 PolarHBondContact O-N 2.84Å; A113-S117 PolarHBondContact O-OG 3.15Å |
| 114 | Q | 75.7 | Confident | 64.5 | Low | 112 Ų | 112 | 118 Ų | 118 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.8 | -43.6 | 177 | -72 | 177 | -2.6 | 0 | 0 | 113.3 | E110 L111 L116 S117 T118 | E110-Q114 WeakPolarHBondContact O-CG 3.27Å; E110-Q114 PolarHBondContact O-N 3.45Å; L111-Q114 PolarHBondContact O-N 3.25Å; L111-Q114 VanDerWaalsContact O-N 3.17Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.85Å; Q114-S117 PolarHBondContact O-N 2.76Å; Q114-T118 PolarHBondContact O-N 2.91Å |
| 115 | Y | 66.6 | Low | 64 | Low | 189 Ų | 189 | 123.1 Ų | 123.1 | 74% | 0.741 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.9 | -24.6 | 177.3 | -77.2 | -73.4 | 0 | 0 | 0 | 114.1 | L111 R112 A113 T118 | L111-Y115 WeakPolarHBondContact O-CD2 3.4Å; L111-Y115 PolarHBondContact O-N 2.84Å; R112-Y115 PolarHBondContact O-N 2.84Å; A113-Y115 PolarHBondContact O-N 3.02Å; Y115-T118 PolarHBondContact O-OG1 2.9Å |
| 116 | L | 64.9 | Low | 63.6 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 72% | 0.723 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -93.7 | -21.3 | 177.2 | -70 | 168.6 | 0 | 0 | 0 | 112.6 | R112 A113 Q114 T118 | R112-L116 WeakPolarHBondContact O-CB 3.46Å; R112-L116 WeakPolarHBondContact O-CG 3.32Å; R112-L116 PolarHBondContact O-N 3.02Å; R112-L116 VanDerWaalsContact O-N 3.1Å; A113-L116 CarbonylContact O-C 3.58Å; A113-L116 PolarHBondContact O-N 3.27Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 2.85Å; L116-T118 VanDerWaalsContact C-N 3.34Å |
| 117 | S | 61.9 | Low | 62.9 | Low | 97 Ų | 97 | 113.8 Ų | 113.8 | 68% | 0.678 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -83.5 | -10.5 | 175.3 | -64.2 | 0 | 0 | 0 | 0 | 112.8 | A113 Q114 D119 | A113-S117 WeakPolarHBondContact O-CB 3.24Å; A113-S117 PolarHBondContact O-N 2.84Å; A113-S117 PolarHBondContact O-OG 3.15Å; Q114-S117 PolarHBondContact O-N 2.76Å; S117-D119 PolarHBondContact O-N 3.23Å |
| 118 | T | 58.2 | Low | 62.1 | Low | 93 Ų | 93 | 116.9 Ų | 116.9 | 57% | 0.571 | 63% | 0.625 | S | S | * | * | | | trans | -76.6 | 67.3 | 158.7 | 48.8 | 0 | 0 | 0 | 0 | 109 | Q114 Y115 L116 T120 | Q114-T118 PolarHBondContact O-N 2.91Å; Y115-T118 PolarHBondContact O-OG1 2.9Å; L116-T118 VanDerWaalsContact C-N 3.34Å; T118-T120 PolarHBondContact O-N 3.34Å |
| 119 | D | 46.4 | Very low | 61.5 | Low | 140 Ų | 140 | 117.8 Ų | 117.8 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | | | trans | -58.9 | 96.8 | 155.1 | -105.4 | -27.6 | 0 | 0 | 0 | 106 | S117 S121 | S117-D119 PolarHBondContact O-N 3.23Å; D119-S121 PolarHBondContact O-N 3.36Å |
| 120 | T | 49.8 | Very low | 60.7 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 64% | 0.644 | 64% | 0.636 | S | S | * | * | | | trans | -71.6 | 69 | 158.2 | 50.8 | 0 | 0 | 0 | 0 | 106.9 | T118 E122 V123 | T118-T120 PolarHBondContact O-N 3.34Å; T120-E122 PolarHBondContact O-N 2.73Å; T120-E122 VanDerWaalsContact O-N 3.16Å; T120-V123 HydrophobicContact CG2-CG2 4.1Å |
| 121 | S | 53.4 | Low | 59.7 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 0.5 | 179.4 | 72 | 0 | 0 | 0 | 0 | 113 | D119 | D119-S121 PolarHBondContact O-N 3.36Š|
| 122 | E | 54.9 | Low | 58.7 | Low | 179 Ų | 179 | 121.7 Ų | 121.7 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.8 | 24.8 | -178 | -61.7 | -169.1 | 179.3 | 0 | 0 | 114.4 | T120 S124 | T120-E122 PolarHBondContact O-N 2.73Å; T120-E122 VanDerWaalsContact O-N 3.16Å; E122-S124 PolarHBondContact O-N 3.28Å |
| 123 | V | 48.4 | Very low | 57.8 | Low | 96 Ų | 96 | 119.2 Ų | 119.2 | 58% | 0.582 | 66% | 0.663 | S | S | * | * | | | trans | -95 | 94.1 | 166.4 | -170.8 | 0 | 0 | 0 | 0 | 107.7 | T120 D125 | T120-V123 HydrophobicContact CG2-CG2 4.1Å; V123-D125 PolarHBondContact O-N 2.72Å |
| 124 | S | 45.3 | Very low | 56.7 | Low | 91 Ų | 91 | 124.8 Ų | 124.8 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | | | trans | -49.4 | 123.6 | 172 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | E122 G126 D127 | E122-S124 PolarHBondContact O-N 3.28Å; S124-G126 PolarHBondContact O-N 3.42Å; S124-D127 PolarHBondContact O-N 3.44Å |
| 125 | D | 53.9 | Low | 55.5 | Low | 163 Ų | 163 | 124.3 Ų | 124.3 | 87% | 0.872 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -0.5 | 176.4 | -85.1 | -33.3 | 0 | 0 | 0 | 114.2 | V123 | V123-D125 PolarHBondContact O-N 2.72Š|
| 126 | G | 56 | Low | 54.7 | Low | 45 Ų | 45 | 126.2 Ų | 126.2 | 46% | 0.464 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -18.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | S124 | S124-G126 PolarHBondContact O-N 3.42Š|
| 127 | D | 56.2 | Low | 53.7 | Low | 109 Ų | 109 | 124.6 Ų | 124.6 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -104.7 | -6.5 | -168.9 | -101.3 | -7.1 | 0 | 0 | 0 | 115.3 | S124 N131 | S124-D127 PolarHBondContact O-N 3.44Å; D127-N131 PolarHBondContact O-ND2 2.93Å |
| 128 | L | 56.1 | Low | 53.2 | Low | 138 Ų | 138 | 125.8 Ų | 125.8 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -84.9 | -19.7 | -177 | -152 | 76.6 | 0 | 0 | 0 | 113.6 | | |
| 129 | V | 58.3 | Low | 52.9 | Low | 114 Ų | 114 | 130 Ų | 130 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -85.6 | -18.6 | -178.6 | -175 | 0 | 0 | 0 | 0 | 112.2 | | |
| 130 | Q | 59.7 | Low | 52.8 | Low | 152 Ų | 152 | 127.1 Ų | 127.1 | 71% | 0.71 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.2 | -174.5 | -63 | -170.9 | 19.5 | 0 | 0 | 114.6 | | |
| 131 | N | 57.9 | Low | 52.7 | Low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | 10.5 | -178.8 | -71.9 | -51.8 | 0 | 0 | 0 | 114.4 | D127 P133 | D127-N131 PolarHBondContact O-ND2 2.93Å; N131-P133 WeakPolarHBondContact O-CD 3.49Å |
| 132 | F | 55 | Low | 52.5 | Low | 147 Ų | 147 | 128 Ų | 128 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -84.2 | 121.2 | 166 | -73.5 | -80.4 | 0 | 0 | 0 | 109.2 | L134 | F132-L134 PolarHBondContact O-N 3.17Š|
| 133 | P | 57.2 | Low | 52.4 | Low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | trans | -69 | 88.2 | 168.9 | 27.8 | -30.2 | 0 | 0 | 0 | 108.3 | N131 S135 | N131-P133 WeakPolarHBondContact O-CD 3.49Å; P133-S135 PolarHBondContact O-N 3.28Å |
| 134 | L | 55.6 | Low | 52.8 | Low | 163 Ų | 163 | 128.7 Ų | 128.7 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | | | trans | -74.6 | 72.5 | 166.7 | -68.4 | 174.6 | 0 | 0 | 0 | 108 | F132 | F132-L134 PolarHBondContact O-N 3.17Š|
| 135 | S | 49.2 | Very low | 53.3 | Low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -128.5 | 71.1 | 173.1 | -52.8 | 0 | 0 | 0 | 0 | 108.3 | P133 | P133-S135 PolarHBondContact O-N 3.28Š|
| 136 | Y | 49.9 | Very low | 53.1 | Low | 229 Ų | 229 | 131.7 Ų | 131.7 | 90% | 0.898 | 74% | 0.738 | S | S | * | * | | | trans | -102.1 | 94.8 | 155.4 | -121.7 | -92 | 0 | 0 | 0 | 107.1 | S138 | Y136-S138 PolarHBondContact O-N 2.96Å; Y136-S138 VanDerWaalsContact O-N 3.15Å |
| 137 | S | 45.2 | Very low | 52.9 | Low | 105 Ų | 105 | 138.4 Ų | 138.4 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -59.4 | 110.3 | 165.7 | -71.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 138 | S | 49.8 | Very low | 52.7 | Low | 121 Ų | 121 | 138.2 Ų | 138.2 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | -100.5 | 75.3 | 168 | 174.7 | 0 | 0 | 0 | 0 | 108.4 | Y136 | Y136-S138 PolarHBondContact O-N 2.96Å; Y136-S138 VanDerWaalsContact O-N 3.15Å |
| 139 | E | 51.7 | Low | 52.2 | Low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | trans | -88.6 | 124 | 166.9 | -82.6 | 175.1 | 139.7 | 0 | 0 | 109.8 | | |
| 140 | G | 45.8 | Very low | 51.7 | Low | 78 Ų | 78 | 142.5 Ų | 142.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 93.5 | 90.2 | 154 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 141 | S | 46.2 | Very low | 51.3 | Low | 123 Ų | 123 | 143.7 Ų | 143.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | -168.5 | 106.1 | 133.1 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 142 | S | 49 | Very low | 50.7 | Low | 98 Ų | 98 | 143.3 Ų | 143.3 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -70.2 | 159.2 | 171.2 | 48.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 143 | E | 54.3 | Low | 50.2 | Low | 166 Ų | 166 | 141.4 Ų | 141.4 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 95.5 | 125.8 | 160.7 | -54.8 | -174.5 | 164.6 | 0 | 0 | 118.2 | | |
| 144 | N | 55.4 | Low | 49.6 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | trans | 90.9 | 91.9 | 162.2 | -51.9 | -47.4 | 0 | 0 | 0 | 115.2 | | |
| 145 | K | 57.6 | Low | 49.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | | 75.9 | 104.9 | 86.2 | -77.3 | -177.8 | -170.4 | -175.4 | 0 | 110.2 | | |
| 146 | D | 49.2 | Very low | 49.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | 137.6 | 79.6 | 144.1 | -67.2 | -12.2 | 0 | 0 | 0 | 110.1 | V148 | D146-V148 HydrophobicContact CB-CG2 3.91Å; D146-V148 PolarHBondContact O-N 2.88Å |
| 147 | L | 51.6 | Low | 49.8 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 98% | 0.979 | 77% | 0.768 | S | S | * | * | | | trans | -65.8 | 76.7 | 153.9 | -74.2 | 164.6 | 0 | 0 | 0 | 107.1 | | |
| 148 | V | 51.2 | Low | 50.2 | Low | 105 Ų | 105 | 139.2 Ų | 139.2 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | | | trans | -103.6 | 102.4 | 171.7 | 171.2 | 0 | 0 | 0 | 0 | 107 | D146 Q150 | D146-V148 HydrophobicContact CB-CG2 3.91Å; D146-V148 PolarHBondContact O-N 2.88Å; V148-Q150 PolarHBondContact O-N 3.47Å; V148-Q150 VanDerWaalsContact O-N 3.16Å |
| 149 | D | 47.1 | Very low | 50.1 | Low | 144 Ų | 144 | 139.4 Ų | 139.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | | | trans | 27.4 | 78.1 | 145.1 | -63.3 | -24.3 | 0 | 0 | 0 | 115.9 | K151 | D149-K151 PolarHBondContact O-N 2.85Š|
| 150 | Q | 47 | Very low | 50.5 | Low | 197 Ų | 197 | 139 Ų | 139 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -71.8 | 71.2 | 152.8 | -101.2 | -173.7 | 8.8 | 0 | 0 | 108.6 | V148 T152 | V148-Q150 PolarHBondContact O-N 3.47Å; V148-Q150 VanDerWaalsContact O-N 3.16Å; Q150-T152 PolarHBondContact O-N 3.33Å |
| 151 | K | 51.4 | Low | 51 | Low | 178 Ų | 178 | 143.3 Ų | 143.3 | 77% | 0.774 | 76% | 0.755 | S | S | * | * | | | trans | -67 | 112.1 | 159.1 | -112.7 | 178.2 | 179.1 | 176.7 | 0 | 106.7 | D149 V153 | D149-K151 PolarHBondContact O-N 2.85Å; K151-V153 PolarHBondContact O-N 3.37Å |
| 152 | T | 45 | Very low | 51.9 | Low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -56.5 | 94.5 | 166.3 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | Q150 T154 | Q150-T152 PolarHBondContact O-N 3.33Å; T152-T154 PolarHBondContact O-N 3.39Å |
| 153 | V | 45.5 | Very low | 52.5 | Low | 107 Ų | 107 | 142.9 Ų | 142.9 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | -90.3 | 90.7 | 165.9 | -179.7 | 0 | 0 | 0 | 0 | 106.7 | K151 D155 | K151-V153 PolarHBondContact O-N 3.37Å; V153-D155 HydrophobicContact CG1-CB 4.26Å; V153-D155 PolarHBondContact O-N 2.88Å; V153-D155 VanDerWaalsContact O-N 3.08Å |
| 154 | T | 44.9 | Very low | 53.1 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | | | trans | -75.3 | 76 | 166.3 | 47.2 | 0 | 0 | 0 | 0 | 108.8 | T152 T156 | T152-T154 PolarHBondContact O-N 3.39Å; T154-T156 PolarHBondContact O-N 3.38Å |
| 155 | D | 45 | Very low | 53.4 | Low | 119 Ų | 119 | 143.4 Ų | 143.4 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | trans | -90.6 | 93 | 163.2 | -80.7 | -15.4 | 0 | 0 | 0 | 107.7 | V153 E157 | V153-D155 HydrophobicContact CG1-CB 4.26Å; V153-D155 PolarHBondContact O-N 2.88Å; V153-D155 VanDerWaalsContact O-N 3.08Å; D155-E157 PolarHBondContact O-N 2.94Å |
| 156 | T | 53.9 | Low | 53.7 | Low | 118 Ų | 118 | 138.8 Ų | 138.8 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 6.3 | -177.7 | 40.8 | 0 | 0 | 0 | 0 | 114.5 | T154 | T154-T156 PolarHBondContact O-N 3.38Š|
| 157 | E | 59 | Low | 54.1 | Low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -8.5 | -168.9 | -60.6 | -168.8 | 173.7 | 0 | 0 | 114.8 | D155 | D155-E157 PolarHBondContact O-N 2.94Š|
| 158 | N | 53.1 | Low | 54.5 | Low | 141 Ų | 141 | 135.1 Ų | 135.1 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | | | trans | -132.8 | 41.2 | -177.6 | -68.4 | -44 | 0 | 0 | 0 | 114 | E160 | N158-E160 PolarHBondContact O-N 3.48Š|
| 159 | L | 49.3 | Very low | 55.2 | Low | 125 Ų | 125 | 138.5 Ų | 138.5 | 65% | 0.654 | 70% | 0.7 | S | S | * | * | | | trans | -72.4 | 76.9 | 167.6 | -90.9 | 133.9 | 0 | 0 | 0 | 110 | F161 | L159-F161 VanDerWaalsContact C-N 3.32Å; L159-F161 HydrophobicContact CB-CD2 4.5Å; L159-F161 HydrophobicContact CB-CE2 4.34Å; L159-F161 PolarHBondContact O-N 2.83Å |
| 160 | E | 58.5 | Low | 55.6 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.813 | 69% | 0.69 | S | S | * | * | | | trans | -64.1 | 98.1 | 159.2 | -73.8 | -168.1 | 171.1 | 0 | 0 | 107.7 | N158 V162 | N158-E160 PolarHBondContact O-N 3.48Å; E160-V162 VanDerWaalsContact C-N 3.32Å; E160-V162 PolarHBondContact O-N 3.3Å |
| 161 | F | 58 | Low | 56.1 | Low | 169 Ų | 169 | 132.4 Ų | 132.4 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | | | trans | -61.9 | 95 | 170.9 | -85.5 | -92.5 | 0 | 0 | 0 | 109 | L159 L163 | L159-F161 VanDerWaalsContact C-N 3.32Å; L159-F161 HydrophobicContact CB-CD2 4.5Å; L159-F161 HydrophobicContact CB-CE2 4.34Å; L159-F161 PolarHBondContact O-N 2.83Å; F161-L163 VanDerWaalsContact C-N 3.29Å; F161-L163 PolarHBondContact O-N 2.91Å |
| 162 | V | 64.5 | Low | 56.3 | Low | 134 Ų | 134 | 126.6 Ų | 126.6 | 81% | 0.812 | 65% | 0.652 | S | S | * | * | | | trans | -69.5 | 92.9 | 167.6 | -178 | 0 | 0 | 0 | 0 | 107.3 | E160 | E160-V162 VanDerWaalsContact C-N 3.32Å; E160-V162 PolarHBondContact O-N 3.3Å |
| 163 | L | 61.5 | Low | 56.8 | Low | 79 Ų | 79 | 128.7 Ų | 128.7 | 41% | 0.414 | 65% | 0.651 | S | S | . | * | | | trans | -60.3 | 136.2 | 173.3 | -76.9 | 170 | 0 | 0 | 0 | 109.3 | F161 R165 | F161-L163 VanDerWaalsContact C-N 3.29Å; F161-L163 PolarHBondContact O-N 2.91Å; L163-R165 PolarHBondContact O-N 3.49Å |
| 164 | P | 66.5 | Low | 57.4 | Low | 79 Ų | 79 | 128.4 Ų | 128.4 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | | | trans | -49.7 | 141.6 | 173.1 | -26.2 | 33.3 | 0 | 0 | 0 | 110.8 | S166 Y167 | P164-S166 PolarHBondContact O-N 3.37Å; P164-Y167 HydrophobicContact CB-CD2 4.4Å; P164-Y167 WeakPolarHBondContact O-CB 3.23Å; P164-Y167 PolarHBondContact O-N 3.47Å |
| 165 | R | 62.3 | Low | 57.9 | Low | 222 Ų | 222 | 129.1 Ų | 129.1 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.3 | -28 | -176.4 | -103.4 | 179.8 | 172.6 | 179.7 | -0.4 | 114.6 | L163 Y167 Q168 | L163-R165 PolarHBondContact O-N 3.49Å; R165-Y167 VanDerWaalsContact C-N 3.29Å; R165-Y167 PolarHBondContact O-N 3.43Å; R165-Q168 WeakPolarHBondContact O-CB 3.45Å; R165-Q168 PolarHBondContact O-N 3.44Å |
| 166 | S | 63.2 | Low | 58.4 | Low | 80 Ų | 80 | 131.2 Ų | 131.2 | 56% | 0.559 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -30.6 | 174.4 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | P164 | P164-S166 PolarHBondContact O-N 3.37Š|
| 167 | Y | 58.4 | Low | 58.2 | Low | 133 Ų | 133 | 128.1 Ų | 128.1 | 52% | 0.522 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.6 | -16.6 | 179.7 | -80.4 | -93.7 | 0 | 0 | 0 | 113.9 | P164 R165 K169 H170 Q171 | P164-Y167 HydrophobicContact CB-CD2 4.4Å; P164-Y167 WeakPolarHBondContact O-CB 3.23Å; P164-Y167 PolarHBondContact O-N 3.47Å; R165-Y167 VanDerWaalsContact C-N 3.29Å; R165-Y167 PolarHBondContact O-N 3.43Å; Y167-K169 PolarHBondContact O-N 3.16Å; Y167-H170 PolarHBondContact O-N 3.32Å; Y167-Q171 PolarHBondContact O-N 3.03Å |
| 168 | Q | 60.1 | Low | 57.8 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 54% | 0.542 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.3 | -28.3 | 178.1 | -143.3 | 172 | 14.8 | 0 | 0 | 112.2 | R165 H170 Q171 | R165-Q168 WeakPolarHBondContact O-CB 3.45Å; R165-Q168 PolarHBondContact O-N 3.44Å; Q168-H170 VanDerWaalsContact C-N 3.3Å; Q168-H170 PolarHBondContact O-N 3.25Å; Q168-Q171 WeakPolarHBondContact O-CB 3.45Å; Q168-Q171 PolarHBondContact O-N 3.15Å |
| 169 | K | 65.7 | Low | 57.6 | Low | 176 Ų | 176 | 126.7 Ų | 126.7 | 77% | 0.765 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.8 | -24.1 | 174 | -70.9 | -175.6 | 179.8 | 177.6 | 0 | 113.8 | Y167 | Y167-K169 PolarHBondContact O-N 3.16Å |
| 170 | H | 55.8 | Low | 57.7 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 56% | 0.556 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -94.1 | -14.9 | 179 | -64.6 | -69.3 | 0 | 0 | 0 | 112.8 | Y167 Q168 A172 F173 V174 | Y167-H170 PolarHBondContact O-N 3.32Å; Q168-H170 VanDerWaalsContact C-N 3.3Å; Q168-H170 PolarHBondContact O-N 3.25Å; H170-A172 VanDerWaalsContact C-N 3.28Å; H170-A172 PolarHBondContact O-N 3.34Å; H170-F173 WeakPolarHBondContact O-CB 3.39Å; H170-F173 PolarHBondContact O-N 2.87Å; H170-V174 PolarHBondContact O-N 3.32Å |
| 171 | Q | 56.1 | Low | 57.3 | Low | 94 Ų | 94 | 126 Ų | 126 | 44% | 0.439 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60.2 | -37.8 | 179.8 | -154 | 168.7 | 11.2 | 0 | 0 | 112.3 | Y167 Q168 F173 V174 E175 | Y167-Q171 PolarHBondContact O-N 3.03Å; Q168-Q171 WeakPolarHBondContact O-CB 3.45Å; Q168-Q171 PolarHBondContact O-N 3.15Å; Q171-F173 PolarHBondContact O-N 3.34Å; Q171-V174 PolarHBondContact O-N 3.49Å; Q171-V174 VanDerWaalsContact O-N 3.16Å; Q171-E175 PolarHBondContact O-N 3.37Å; Q171-E175 VanDerWaalsContact O-N 3.15Å |
| 172 | A | 57 | Low | 56.9 | Low | 55 Ų | 55 | 126.4 Ų | 126.4 | 46% | 0.455 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.3 | -20.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | H170 K176 | H170-A172 VanDerWaalsContact C-N 3.28Å; H170-A172 PolarHBondContact O-N 3.34Å; A172-K176 WeakPolarHBondContact O-CG 3.48Å |
| 173 | F | 55.5 | Low | 56.3 | Low | 171 Ų | 171 | 128.7 Ų | 128.7 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -83.3 | -32 | 174 | -99 | -88.1 | 0 | 0 | 0 | 111.9 | H170 Q171 | H170-F173 WeakPolarHBondContact O-CB 3.39Å; H170-F173 PolarHBondContact O-N 2.87Å; Q171-F173 PolarHBondContact O-N 3.34Å |
| 174 | V | 57 | Low | 55.7 | Low | 101 Ų | 101 | 134.5 Ų | 134.5 | 61% | 0.612 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.1 | -42.4 | 179.9 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | H170 Q171 K176 G177 | H170-V174 PolarHBondContact O-N 3.32Å; Q171-V174 PolarHBondContact O-N 3.49Å; Q171-V174 VanDerWaalsContact O-N 3.16Å; V174-K176 VanDerWaalsContact C-N 3.32Å; V174-K176 PolarHBondContact O-N 3.13Å; V174-G177 PolarHBondContact O-N 3.38Å |
| 175 | E | 56.8 | Low | 54.6 | Low | 133 Ų | 133 | 139.9 Ų | 139.9 | 62% | 0.621 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.6 | -26 | 178.9 | -94 | -169.3 | 132.3 | 0 | 0 | 114.3 | Q171 | Q171-E175 PolarHBondContact O-N 3.37Å; Q171-E175 VanDerWaalsContact O-N 3.15Å |
| 176 | K | 55.5 | Low | 53.7 | Low | 163 Ų | 163 | 140.6 Ų | 140.6 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -81.2 | -20 | 178.1 | -71.8 | -178.9 | -178.2 | -179.9 | 0 | 113.3 | A172 V174 | A172-K176 WeakPolarHBondContact O-CG 3.48Å; V174-K176 VanDerWaalsContact C-N 3.32Å; V174-K176 PolarHBondContact O-N 3.13Å |
| 177 | G | 48.2 | Very low | 52.8 | Low | 53 Ų | 53 | 143.7 Ų | 143.7 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -79.5 | -32.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | V174 K179 | V174-G177 PolarHBondContact O-N 3.38Å; G177-K179 PolarHBondContact O-N 3.48Å |
| 178 | L | 50.9 | Low | 51.9 | Low | 115 Ų | 115 | 147.3 Ų | 147.3 | 60% | 0.602 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -9.9 | -173.2 | -136.1 | 132.9 | 0 | 0 | 0 | 114 | | |
| 179 | K | 49.6 | Very low | 51.2 | Low | 168 Ų | 168 | 147.1 Ų | 147.1 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -1.3 | 176.5 | -84.1 | 177 | 176.6 | 170.1 | 0 | 114.7 | G177 | G177-K179 PolarHBondContact O-N 3.48Š|
| 180 | V | 51.2 | Low | 49.9 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 70% | 0.703 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -94.8 | -13.3 | 178.1 | -178.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 181 | E | 49.3 | Very low | 48.8 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -94.9 | -8.9 | -172.4 | -143.3 | -179.4 | 178.2 | 0 | 0 | 114.6 | | |
| 182 | K | 50.5 | Low | 48.1 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 77% | 0.774 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -97.1 | 1.2 | -175.7 | -73.2 | -173.2 | 176.7 | 178 | 0 | 115.8 | | |
| 183 | E | 51.2 | Low | 47.2 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -112.1 | 6.6 | -176.7 | -95.2 | -172.4 | 162.5 | 0 | 0 | 116.3 | | |
| 184 | K | 48.3 | Very low | 46.4 | Very low | 202 Ų | 202 | 148.6 Ų | 148.6 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | -113.5 | 52.1 | 174.3 | -73.7 | -174.5 | 176.9 | 176.9 | 0 | 113.2 | | |
| 185 | K | 45.2 | Very low | 45.5 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -86.7 | 107.8 | 158.7 | -77.8 | -176.2 | 178.6 | 179.7 | 0 | 108.3 | | |
| 186 | R | 42 | Very low | 44.4 | Very low | 236 Ų | 236 | 146.6 Ų | 146.6 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | | | trans | 126 | 91.5 | 164.4 | -72.8 | 167 | 176.9 | -175.1 | 0.4 | 110.9 | | |
| 187 | T | 44.7 | Very low | 43.7 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | | -176.8 | 144.3 | 108.2 | 33.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 188 | K | 40.3 | Very low | 43.4 | Very low | 209 Ų | 209 | 153.4 Ų | 153.4 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | | | trans | -64.9 | 129.6 | -173.9 | -59.7 | 157.8 | 177.3 | -179.5 | 0 | 111.6 | | |
| 189 | S | 44.5 | Very low | 42.9 | Very low | 112 Ų | 112 | 158.5 Ų | 158.5 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | | | trans | -169.9 | 143.3 | 133.9 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 190 | P | 38.8 | Very low | 42.7 | Very low | 113 Ų | 113 | 157 Ų | 157 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | | | trans | -99.3 | 158.7 | -174.9 | 40.8 | -33.4 | 0 | 0 | 0 | 111.5 | | |
| 191 | V | 32.2 | Very low | 42.2 | Very low | 132 Ų | 132 | 159.9 Ų | 159.9 | 80% | 0.8 | 83% | 0.825 | S | S | * | * | | | trans | 69.2 | 98.7 | 161.3 | -164.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 192 | V | 40.7 | Very low | 41.9 | Very low | 128 Ų | 128 | 157.2 Ų | 157.2 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | | | | -159.9 | 108.1 | 127.3 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 193 | E | 39.1 | Very low | 41.8 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | | | trans | 38.7 | 106.3 | 138.5 | -57.3 | -176.4 | 157.4 | 0 | 0 | 120.7 | S195 | E193-S195 PolarHBondContact O-N 3.35Š|
| 194 | A | 37.4 | Very low | 41.4 | Very low | 101 Ų | 101 | 154.2 Ų | 154.2 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | | | trans | -1.2 | 102 | 136.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 195 | S | 38.2 | Very low | 41.1 | Very low | 123 Ų | 123 | 155 Ų | 155 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | 168.4 | 105.3 | 139.3 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | E193 | E193-S195 PolarHBondContact O-N 3.35Š|
| 196 | G | 34.9 | Very low | 40.9 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -179 | -16.8 | 178 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 197 | F | 39.5 | Very low | 40.9 | Very low | 210 Ų | 210 | 150.1 Ų | 150.1 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -120 | 64.5 | -179 | -82.3 | -89.2 | 0 | 0 | 0 | 111.6 | | |
| 198 | I | 43.5 | Very low | 40.9 | Very low | 150 Ų | 150 | 152.8 Ų | 152.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -137.7 | 64.2 | 168.7 | -47.1 | 177.2 | 0 | 0 | 0 | 109 | | |
| 199 | Y | 40.6 | Very low | 40.7 | Very low | 222 Ų | 222 | 153 Ų | 153 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -145.1 | 123.6 | 162.2 | -71.6 | -76.4 | 0 | 0 | 0 | 108.3 | | |
| 200 | N | 44.1 | Very low | 40.3 | Very low | 137 Ų | 137 | 157.3 Ų | 157.3 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | S | Bend | trans | 105.2 | 17.8 | 175.1 | -59.8 | -41.3 | 0 | 0 | 0 | 120.1 | | |
| 201 | L | 41.8 | Very low | 40.4 | Very low | 176 Ų | 176 | 158 Ų | 158 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | | | trans | -105.1 | 32 | 164 | -112.3 | 89.5 | 0 | 0 | 0 | 113.5 | | |
| 202 | S | 43.4 | Very low | 40.5 | Very low | 112 Ų | 112 | 156.2 Ų | 156.2 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -109.3 | 7.1 | -179.1 | -36.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 203 | I | 47.1 | Very low | 40.5 | Very low | 148 Ų | 148 | 158.4 Ų | 158.4 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -109.3 | 1.4 | -177.9 | -58.4 | 174.8 | 0 | 0 | 0 | 111.7 | | |
| 204 | L | 42.3 | Very low | 40.2 | Very low | 149 Ų | 149 | 160.2 Ų | 160.2 | 78% | 0.78 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -128.8 | 84 | 171.1 | -84.8 | 94.2 | 0 | 0 | 0 | 109.4 | | |
| 205 | W | 42.1 | Very low | 40.1 | Very low | 219 Ų | 219 | 160 Ų | 160 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | | | trans | -173.5 | 123.6 | 157.1 | -104 | 29.2 | 0 | 0 | 0 | 105.8 | | |
| 206 | P | 40.9 | Very low | 40.3 | Very low | 117 Ų | 117 | 160.6 Ų | 160.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | S | Bend | cis | -119.3 | 109.1 | 34.6 | 35 | -19 | 0 | 0 | 0 | 112.5 | | |
| 207 | F | 43.2 | Very low | 40.5 | Very low | 207 Ų | 207 | 163.4 Ų | 163.4 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | | | trans | -141.1 | 54 | 163 | -91.2 | -75.6 | 0 | 0 | 0 | 108.9 | | |
| 208 | R | 43.4 | Very low | 40.7 | Very low | 202 Ų | 202 | 158.7 Ų | 158.7 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | trans | -140.6 | 56.5 | 177.2 | -89.7 | -119.7 | 163.5 | 137.7 | -3.8 | 110 | | |
| 209 | F | 37.9 | Very low | 40.4 | Very low | 212 Ų | 212 | 160.4 Ų | 160.4 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -158.7 | 65.9 | 163.1 | -91.9 | -72 | 0 | 0 | 0 | 109.2 | | |
| 210 | F | 35.4 | Very low | 40.4 | Very low | 204 Ų | 204 | 154.9 Ų | 154.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -170 | 143 | 158.6 | -141.7 | -112.2 | 0 | 0 | 0 | 106.9 | | |
| 211 | V | 40.2 | Very low | 40.2 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 97.3 | 89.4 | -177.4 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 212 | S | 34.4 | Very low | 39.9 | Very low | 96 Ų | 96 | 151.5 Ų | 151.5 | 67% | 0.671 | 80% | 0.799 | S | S | * | * | | | trans | 68 | 109 | 130.5 | -55.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 213 | D | 40.2 | Very low | 39.9 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | | | | -138.7 | 75.5 | 128.4 | -88.3 | -34.5 | 0 | 0 | 0 | 109.2 | | |
| 214 | F | 34.8 | Very low | 39.6 | Very low | 213 Ų | 213 | 156 Ų | 156 | 93% | 0.934 | 83% | 0.831 | S | S | * | * | | | trans | -83.1 | 98.5 | 156.1 | -125.7 | -88.5 | 0 | 0 | 0 | 105.6 | | |
| 215 | S | 34.5 | Very low | 39.4 | Very low | 96 Ų | 96 | 156.3 Ų | 156.3 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | | | trans | 162.8 | 95.3 | 160.4 | 162.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 216 | T | 43.1 | Very low | 39.3 | Very low | 136 Ų | 136 | 152.8 Ų | 152.8 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | | | trans | -164.4 | 86.6 | 130.3 | 11.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 217 | T | 38.7 | Very low | 39.2 | Very low | 127 Ų | 127 | 154.9 Ų | 154.9 | 78% | 0.779 | 84% | 0.838 | S | S | * | * | | | trans | -45.3 | 130.4 | 145.4 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 218 | C | 43.3 | Very low | 38.9 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 74% | 0.743 | 83% | 0.834 | S | S | * | * | | | trans | 155.1 | 117.7 | 159.7 | -87.3 | 0 | 0 | 0 | 0 | 105.8 | | |
| 219 | F | 37.6 | Very low | 38.6 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 82% | 0.816 | 84% | 0.839 | S | S | * | * | | | cis | -165.2 | 151.8 | 4.1 | -113.3 | -94.3 | 0 | 0 | 0 | 104.4 | | |
| 220 | P | 40.2 | Very low | 38.7 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 70% | 0.695 | 83% | 0.832 | S | S | * | * | | | trans | -83.6 | 174.6 | 170.9 | 32.7 | -26.8 | 0 | 0 | 0 | 111.2 | | |
| 221 | V | 40.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 78% | 0.776 | 83% | 0.827 | S | S | * | * | | | trans | 114.5 | 107.8 | 155.4 | -177 | 0 | 0 | 0 | 0 | 116.7 | | |
| 222 | C | 35.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 77% | 0.77 | 83% | 0.833 | S | S | * | * | | | trans | 52 | 113.7 | 137.4 | -56.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 223 | S | 43.9 | Very low | 39.2 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 100% | 1.378 | 85% | 0.847 | S | S | * | * | | | | -157.1 | 0 | 89.5 | -74.4 | 0 | 0 | 0 | 0 | 110.3 | | |