| 1 | M | 44.4 | Very low | 41 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 100% | 1.163 | 84% | 0.836 | S | S | * | * | | | | 0 | 92.4 | 0 | -69.3 | -162.9 | -135.4 | 0 | 0 | 108.4 | | |
| 2 | H | 46.2 | Very low | 41.2 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -154.3 | 131.2 | 169.3 | -86.6 | -65.5 | 0 | 0 | 0 | 107.8 | | |
| 3 | A | 35.5 | Very low | 40.8 | Very low | 91 Ų | 91 | 153.8 Ų | 153.8 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | | | trans | -78.3 | 140 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 4 | Y | 48.5 | Very low | 41 | Very low | 227 Ų | 227 | 154.4 Ų | 154.4 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -145.7 | 136.3 | 151.3 | -80 | -75.2 | 0 | 0 | 0 | 109.5 | | |
| 5 | A | 38.1 | Very low | 40.8 | Very low | 84 Ų | 84 | 151.8 Ų | 151.8 | 69% | 0.694 | 82% | 0.816 | S | S | * | * | | | trans | -85.9 | -177.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 6 | T | 40.5 | Very low | 40.7 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | | | trans | 95.3 | 114.7 | 156.3 | 57.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 7 | D | 38.8 | Very low | 40.3 | Very low | 162 Ų | 162 | 155.8 Ų | 155.8 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | | | trans | 65.3 | 120.1 | 131.7 | -59.7 | -15.4 | 0 | 0 | 0 | 120.4 | | |
| 8 | G | 40.4 | Very low | 40.1 | Very low | 79 Ų | 79 | 156.7 Ų | 156.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | -172.1 | 79.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 9 | N | 38.6 | Very low | 40 | Very low | 156 Ų | 156 | 158.7 Ų | 158.7 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | | | trans | -40.9 | 140.6 | 165.1 | -99.8 | -22.4 | 0 | 0 | 0 | 113 | | |
| 10 | N | 37.6 | Very low | 39.9 | Very low | 140 Ų | 140 | 159.2 Ų | 159.2 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | | | trans | 142.6 | 121 | 141 | -76.9 | -37.7 | 0 | 0 | 0 | 108.8 | | |
| 11 | F | 42.6 | Very low | 40.3 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | | | | -177.5 | 109.1 | 124.3 | -93.8 | -65.5 | 0 | 0 | 0 | 109.6 | | |
| 12 | H | 43.1 | Very low | 40.1 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 63% | 0.625 | 81% | 0.805 | S | S | * | * | | | trans | 63.6 | 93.2 | 149 | -74.3 | -51.4 | 0 | 0 | 0 | 120 | K14 | H12-K14 HydrophobicContact CB-CG 4.32Å; H12-K14 PolarHBondContact O-N 3.27Å |
| 13 | E | 36 | Very low | 39.6 | Very low | 193 Ų | 193 | 148.7 Ų | 148.7 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | | | | -42.4 | 118.7 | 126.5 | -76 | 177.4 | 140.6 | 0 | 0 | 110.2 | | |
| 14 | K | 44.1 | Very low | 39.9 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | | | trans | -133.5 | 106.8 | 154.6 | -71.9 | -173.7 | -176.7 | -177.6 | 0 | 108.2 | H12 V16 | H12-K14 HydrophobicContact CB-CG 4.32Å; H12-K14 PolarHBondContact O-N 3.27Å; K14-V16 PolarHBondContact O-N 3.22Å |
| 15 | S | 38 | Very low | 39.4 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -37.9 | 121.7 | 166.6 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 16 | V | 38.2 | Very low | 39.5 | Very low | 137 Ų | 137 | 149 Ų | 149 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -116 | 69.2 | 160.2 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | K14 | K14-V16 PolarHBondContact O-N 3.22Š|
| 17 | W | 34.1 | Very low | 39.3 | Very low | 234 Ų | 234 | 152.4 Ų | 152.4 | 89% | 0.886 | 82% | 0.817 | S | S | * | * | | | trans | -142.8 | 85.5 | 168.8 | -77.3 | 101.2 | 0 | 0 | 0 | 106.2 | | |
| 18 | Q | 37.9 | Very low | 39.4 | Very low | 173 Ų | 173 | 152.3 Ų | 152.3 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | trans | 168.6 | 102.4 | 161.4 | -99.9 | 164 | 14.2 | 0 | 0 | 108.7 | | |
| 19 | H | 36.9 | Very low | 39.7 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | | | trans | -152 | 81.1 | 142.4 | -82.8 | -59.5 | 0 | 0 | 0 | 107.5 | P21 | H19-P21 WeakPolarHBondContact O-CD 3.12Š|
| 20 | H | 38.4 | Very low | 39.9 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 78% | 0.778 | 82% | 0.82 | S | S | * | * | | | trans | -73.9 | 121.5 | 149.9 | -71.1 | -79.6 | 0 | 0 | 0 | 106.6 | T22 | H20-T22 PolarHBondContact O-N 3.11Å; H20-T22 VanDerWaalsContact O-N 3.14Å |
| 21 | P | 47.5 | Very low | 40.6 | Very low | 127 Ų | 127 | 159.7 Ų | 159.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | -75.5 | 102.1 | 167.5 | 28 | -27.5 | 0 | 0 | 0 | 108.2 | H19 | H19-P21 WeakPolarHBondContact O-CD 3.12Š|
| 22 | T | 41 | Very low | 40.9 | Very low | 132 Ų | 132 | 160 Ų | 160 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | | | trans | -63.6 | 130.4 | 163.2 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | H20 A24 | H20-T22 PolarHBondContact O-N 3.11Å; H20-T22 VanDerWaalsContact O-N 3.14Å; T22-A24 PolarHBondContact O-N 3.49Å |
| 23 | A | 34.9 | Very low | 41.4 | Very low | 100 Ų | 100 | 159.7 Ų | 159.7 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | | | trans | -45.5 | 126.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 24 | A | 43.1 | Very low | 42.1 | Very low | 95 Ų | 95 | 159.4 Ų | 159.4 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | | | trans | -123.6 | 117.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | T22 N26 | T22-A24 PolarHBondContact O-N 3.49Å; A24-N26 PolarHBondContact O-N 3.15Å |
| 25 | N | 37.4 | Very low | 42.7 | Very low | 154 Ų | 154 | 158.2 Ų | 158.2 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | | | trans | -30 | 125.7 | 165.7 | -80.1 | -36.4 | 0 | 0 | 0 | 112 | | |
| 26 | N | 41 | Very low | 43.3 | Very low | 161 Ų | 161 | 158.3 Ų | 158.3 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | | | | -170 | 130.5 | 126.2 | -85.7 | -29.4 | 0 | 0 | 0 | 109.7 | A24 L28 | A24-N26 PolarHBondContact O-N 3.15Å; N26-L28 PolarHBondContact O-N 2.73Å |
| 27 | Q | 35.6 | Very low | 43.6 | Very low | 192 Ų | 192 | 156.3 Ų | 156.3 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | -42.4 | 127.3 | 171.9 | -69.2 | 165.8 | -13.8 | 0 | 0 | 111.9 | | |
| 28 | L | 41.1 | Very low | 44.3 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -165.2 | 114.8 | 152.8 | -107.8 | 148.1 | 0 | 0 | 0 | 111 | N26 | N26-L28 PolarHBondContact O-N 2.73Š|
| 29 | D | 46.2 | Very low | 44.6 | Very low | 144 Ų | 144 | 145.9 Ų | 145.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | 28.7 | 122 | 159.1 | -59.7 | -23.5 | 0 | 0 | 0 | 121.6 | Q31 | D29-Q31 PolarHBondContact O-N 3.36Š|
| 30 | E | 44.2 | Very low | 44.8 | Very low | 206 Ų | 206 | 141.8 Ų | 141.8 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | | | trans | -55.1 | 95.1 | 166.8 | -61.5 | 177.9 | 158.8 | 0 | 0 | 110.9 | | |
| 31 | Q | 52.1 | Low | 45.6 | Very low | 180 Ų | 180 | 141.2 Ų | 141.2 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | trans | -102.2 | 119.1 | 158.4 | -107 | -179 | 3.6 | 0 | 0 | 109.1 | D29 V33 | D29-Q31 PolarHBondContact O-N 3.36Å; Q31-V33 PolarHBondContact O-N 3.48Å |
| 32 | E | 48.6 | Very low | 45.8 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | trans | -40.7 | 102.1 | 177.2 | -70.6 | 172.5 | 130.3 | 0 | 0 | 112.5 | E34 | E32-E34 PolarHBondContact O-N 3.48Š|
| 33 | V | 53 | Low | 46 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -81.9 | 94 | 163.5 | 180 | 0 | 0 | 0 | 0 | 106.8 | Q31 L35 | Q31-V33 PolarHBondContact O-N 3.48Å; V33-L35 PolarHBondContact O-N 3.04Å |
| 34 | E | 51.7 | Low | 46.8 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 78% | 0.775 | S | S | * | * | | | trans | -54.5 | 106.4 | 169.2 | -98.2 | -172 | 143.4 | 0 | 0 | 109.9 | E32 | E32-E34 PolarHBondContact O-N 3.48Š|
| 35 | L | 55.7 | Low | 46.7 | Very low | 138 Ų | 138 | 151.4 Ų | 151.4 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | 137.3 | 169.1 | -69.5 | 170.4 | 0 | 0 | 0 | 109.5 | V33 V37 | V33-L35 PolarHBondContact O-N 3.04Å; L35-V37 PolarHBondContact O-N 2.71Å |
| 36 | P | 51.4 | Low | 46.9 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -63.5 | 110.3 | 178.8 | 24.9 | -32.5 | 0 | 0 | 0 | 110.5 | V38 | P36-V38 PolarHBondContact O-N 2.75Š|
| 37 | V | 44.5 | Very low | 47.4 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 57% | 0.57 | 76% | 0.756 | S | S | * | * | | | trans | -78.1 | 104.4 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | L35 T39 | L35-V37 PolarHBondContact O-N 2.71Å; V37-T39 HydrophobicContact CG1-CG2 3.99Å; V37-T39 PolarHBondContact O-N 3.08Å |
| 38 | V | 49.3 | Very low | 48.2 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 57% | 0.57 | 74% | 0.743 | S | S | * | * | | | trans | -82 | 103.6 | 168.6 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | P36 | P36-V38 PolarHBondContact O-N 2.75Š|
| 39 | T | 42.8 | Very low | 48.6 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 58% | 0.583 | 74% | 0.738 | S | S | * | * | B | Isolated β-bridge | trans | -82 | 121.3 | 172.6 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | V37 | V37-T39 HydrophobicContact CG1-CG2 3.99Å; V37-T39 PolarHBondContact O-N 3.08Å |
| 40 | N | 40.8 | Very low | 48.7 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | | | trans | -63.3 | 153.8 | 166.2 | -163.1 | -16.5 | 0 | 0 | 0 | 109.4 | R42 G43 | N40-R42 PolarHBondContact O-N 3.17Å; N40-G43 PolarHBondContact O-N 3.19Å |
| 41 | V | 55.6 | Low | 48.8 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -0.3 | -174.8 | -149 | 0 | 0 | 0 | 0 | 114 | | |
| 42 | R | 51.2 | Low | 48.5 | Very low | 217 Ų | 217 | 131.1 Ų | 131.1 | 82% | 0.819 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 11.1 | 179.4 | -145.1 | 172.1 | -154.2 | -159.9 | 3.6 | 114.6 | N40 K44 | N40-R42 PolarHBondContact O-N 3.17Å; R42-K44 PolarHBondContact O-N 3.1Å; R42-K44 VanDerWaalsContact O-N 3.15Å |
| 43 | G | 45.4 | Very low | 48.6 | Very low | 67 Ų | 67 | 131.5 Ų | 131.5 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | 66.2 | 16.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N40 | N40-G43 PolarHBondContact O-N 3.19Š|
| 44 | K | 51.7 | Low | 48.3 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | -95.8 | 124.8 | 172.9 | -68 | -165.9 | 176.5 | -171.3 | 0 | 109.5 | R42 A46 | R42-K44 PolarHBondContact O-N 3.1Å; R42-K44 VanDerWaalsContact O-N 3.15Å; K44-A46 PolarHBondContact O-N 3.39Å; K44-A46 VanDerWaalsContact O-N 3.13Å |
| 45 | R | 41 | Very low | 47.8 | Very low | 225 Ų | 225 | 126.9 Ų | 126.9 | 85% | 0.849 | 71% | 0.711 | S | S | * | * | B | Isolated β-bridge | trans | -56 | 112.1 | 170.2 | -76.9 | -179.7 | 160.9 | -161 | -6.4 | 108.5 | | |
| 46 | A | 43 | Very low | 47.5 | Very low | 59 Ų | 59 | 127.7 Ų | 127.7 | 49% | 0.488 | 72% | 0.715 | S | S | . | * | | | trans | -95.4 | 108.5 | 164 | 0 | 0 | 0 | 0 | 0 | 106.5 | K44 I48 | K44-A46 PolarHBondContact O-N 3.39Å; K44-A46 VanDerWaalsContact O-N 3.13Å; A46-I48 PolarHBondContact O-N 3.34Å |
| 47 | S | 51.7 | Low | 47.1 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | trans | -71 | 119.4 | 165.5 | 46.7 | 0 | 0 | 0 | 0 | 107.4 | D49 | S47-D49 PolarHBondContact O-N 3.33Š|
| 48 | I | 50.5 | Low | 46.9 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 63% | 0.626 | 72% | 0.724 | S | S | * | * | | | trans | -85.3 | 107.4 | 167.8 | -61.9 | 171 | 0 | 0 | 0 | 105.3 | A46 V50 | A46-I48 PolarHBondContact O-N 3.34Å; I48-V50 PolarHBondContact O-N 3.14Å; I48-V50 VanDerWaalsContact O-N 3.09Å |
| 49 | D | 49.9 | Very low | 46.8 | Very low | 137 Ų | 137 | 131 Ų | 131 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | | | trans | -68.1 | 105 | 165.8 | -71.7 | -24.2 | 0 | 0 | 0 | 107.1 | S47 V51 | S47-D49 PolarHBondContact O-N 3.33Å; D49-V51 VanDerWaalsContact C-N 3.34Å; D49-V51 PolarHBondContact O-N 3.17Å |
| 50 | V | 48.2 | Very low | 46.6 | Very low | 116 Ų | 116 | 130 Ų | 130 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | | | trans | -69.5 | 98 | 169.7 | 179.5 | 0 | 0 | 0 | 0 | 106.4 | I48 T52 | I48-V50 PolarHBondContact O-N 3.14Å; I48-V50 VanDerWaalsContact O-N 3.09Å; V50-T52 PolarHBondContact O-N 3.15Å |
| 51 | V | 46.8 | Very low | 46.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | -70.5 | 95.5 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | D49 | D49-V51 VanDerWaalsContact C-N 3.34Å; D49-V51 PolarHBondContact O-N 3.17Å |
| 52 | T | 45.9 | Very low | 46.2 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -61.5 | 136.5 | 168.1 | -19.1 | 0 | 0 | 0 | 0 | 108.7 | V50 G54 | V50-T52 PolarHBondContact O-N 3.15Å; T52-G54 PolarHBondContact O-N 2.91Å |
| 53 | E | 50.2 | Low | 45.5 | Very low | 204 Ų | 204 | 126.2 Ų | 126.2 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | 20.6 | -171.4 | -62.1 | -169.5 | 151.6 | 0 | 0 | 116.8 | | |
| 54 | G | 47.1 | Very low | 45.6 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -2.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | T52 | T52-G54 PolarHBondContact O-N 2.91Š|
| 55 | N | 42.2 | Very low | 45.1 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | trans | -135.1 | 40.7 | -168 | -93.1 | -22.1 | 0 | 0 | 0 | 114.8 | | |
| 56 | L | 47.8 | Very low | 44.9 | Very low | 156 Ų | 156 | 120.4 Ų | 120.4 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | | | trans | -90.6 | 127.3 | 166.4 | -70.9 | 174.2 | 0 | 0 | 0 | 110.3 | S58 | L56-S58 PolarHBondContact O-N 3.33Š|
| 57 | P | 43.9 | Very low | 44.8 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | trans | -61.5 | 125.3 | 173.8 | 25.1 | -31.3 | 0 | 0 | 0 | 109.1 | I59 | P57-I59 VanDerWaalsContact C-N 3.32Å; P57-I59 PolarHBondContact O-N 3.06Å |
| 58 | S | 40.5 | Very low | 44.2 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -59.6 | 89 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L56 A60 | L56-S58 PolarHBondContact O-N 3.33Å; S58-A60 PolarHBondContact O-N 3.32Å |
| 59 | I | 46.4 | Very low | 43.6 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | -74.5 | 105.2 | 169.5 | -65.6 | 165.4 | 0 | 0 | 0 | 106.8 | P57 | P57-I59 VanDerWaalsContact C-N 3.32Å; P57-I59 PolarHBondContact O-N 3.06Å |
| 60 | A | 39 | Very low | 43.1 | Very low | 75 Ų | 75 | 132.4 Ų | 132.4 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | trans | -61.8 | 131.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S58 S62 | S58-A60 PolarHBondContact O-N 3.32Å; A60-S62 PolarHBondContact O-N 3.37Å |
| 61 | P | 47.2 | Very low | 42.5 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -73.9 | 94.1 | 175.5 | 29.2 | -30.9 | 0 | 0 | 0 | 109.1 | | |
| 62 | S | 40.3 | Very low | 42.1 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | trans | -72.4 | 120.9 | 167.1 | 174.4 | 0 | 0 | 0 | 0 | 109.1 | A60 | A60-S62 PolarHBondContact O-N 3.37Š|
| 63 | E | 36.9 | Very low | 41.7 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 52.7 | 75.1 | 151 | -59.6 | -179.1 | -169.3 | 0 | 0 | 117.2 | | |
| 64 | V | 47.1 | Very low | 41.3 | Very low | 122 Ų | 122 | 136 Ų | 136 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | | | trans | -113.4 | 129.2 | 159.3 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | S66 | V64-S66 PolarHBondContact O-N 2.9Š|
| 65 | P | 41.9 | Very low | 41.2 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 62% | 0.623 | 76% | 0.763 | S | S | * | * | | | trans | -65.2 | 126.8 | -176.7 | -5.4 | 17.9 | 0 | 0 | 0 | 110 | Y67 | P65-Y67 WeakPolarHBondContact O-CD2 3.47Å; P65-Y67 PolarHBondContact O-N 3.01Å |
| 66 | S | 35.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -60 | 95.6 | 173.8 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | V64 T68 | V64-S66 PolarHBondContact O-N 2.9Å; S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.29Å |
| 67 | Y | 40.6 | Very low | 41.2 | Very low | 215 Ų | 215 | 142.8 Ų | 142.8 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -74.4 | 89.3 | 162.1 | -76.4 | -87.5 | 0 | 0 | 0 | 108.3 | P65 W69 | P65-Y67 WeakPolarHBondContact O-CD2 3.47Å; P65-Y67 PolarHBondContact O-N 3.01Å; Y67-W69 PolarHBondContact O-N 3.07Å; Y67-W69 VanDerWaalsContact O-N 3.15Å |
| 68 | T | 39.8 | Very low | 40.9 | Very low | 122 Ų | 122 | 143.6 Ų | 143.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -67.4 | 105.3 | 165.5 | 37.7 | 0 | 0 | 0 | 0 | 108.3 | S66 S70 | S66-T68 VanDerWaalsContact C-N 3.29Å; S66-T68 PolarHBondContact O-N 3.29Å; T68-S70 PolarHBondContact O-N 3.05Å |
| 69 | W | 38.4 | Very low | 40.8 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 95% | 0.947 | 76% | 0.762 | S | S | * | * | | | trans | -66.8 | 90.5 | 165.4 | -167.3 | -62.2 | 0 | 0 | 0 | 107.5 | Y67 S71 | Y67-W69 PolarHBondContact O-N 3.07Å; Y67-W69 VanDerWaalsContact O-N 3.15Å; W69-S71 PolarHBondContact O-N 3.08Å |
| 70 | S | 38.6 | Very low | 40.5 | Very low | 87 Ų | 87 | 144.1 Ų | 144.1 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | -64.2 | 120.4 | 171.7 | 48.3 | 0 | 0 | 0 | 0 | 108.4 | T68 C72 | T68-S70 PolarHBondContact O-N 3.05Å; S70-C72 VanDerWaalsContact C-N 3.28Å; S70-C72 PolarHBondContact O-N 3.27Å |
| 71 | S | 36.6 | Very low | 40.5 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -49.7 | 89.3 | 164.8 | 152.5 | 0 | 0 | 0 | 0 | 109.7 | W69 Q73 | W69-S71 PolarHBondContact O-N 3.08Å; S71-Q73 PolarHBondContact O-N 3.3Å |
| 72 | C | 37 | Very low | 40.5 | Very low | 113 Ų | 113 | 153.3 Ų | 153.3 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -67.7 | 105.9 | 167.6 | -72.6 | 0 | 0 | 0 | 0 | 108.4 | S70 R74 | S70-C72 VanDerWaalsContact C-N 3.28Å; S70-C72 PolarHBondContact O-N 3.27Å; C72-R74 PolarHBondContact O-N 3.23Å; C72-R74 VanDerWaalsContact O-N 3.11Å |
| 73 | Q | 39.2 | Very low | 40.8 | Very low | 167 Ų | 167 | 156.8 Ų | 156.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -39.4 | 112.5 | 167 | -68.8 | -174.1 | -18.2 | 0 | 0 | 110.9 | S71 K75 | S71-Q73 PolarHBondContact O-N 3.3Å; Q73-K75 PolarHBondContact O-N 3.22Å |
| 74 | R | 41.1 | Very low | 41.5 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 99.7 | 160.1 | -85.6 | -176.4 | 174.6 | -178.6 | -0.9 | 107.1 | C72 D76 | C72-R74 PolarHBondContact O-N 3.23Å; C72-R74 VanDerWaalsContact O-N 3.11Å; R74-D76 PolarHBondContact O-N 3.35Å |
| 75 | K | 45.7 | Very low | 41.7 | Very low | 158 Ų | 158 | 153.2 Ų | 153.2 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | -65.5 | 115.6 | 161.8 | -94.1 | 170.5 | 174.9 | 171.4 | 0 | 108.2 | Q73 Y77 | Q73-K75 PolarHBondContact O-N 3.22Å; K75-Y77 HydrophobicContact CB-CD2 4.26Å; K75-Y77 HydrophobicContact CB-CE2 4.14Å; K75-Y77 PolarHBondContact O-N 3.16Å |
| 76 | D | 43.7 | Very low | 41.9 | Very low | 157 Ų | 157 | 153 Ų | 153 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -56.6 | 103.7 | 167.9 | -63.2 | -53.6 | 0 | 0 | 0 | 110.1 | R74 | R74-D76 PolarHBondContact O-N 3.35Š|
| 77 | Y | 44.6 | Very low | 42.5 | Very low | 204 Ų | 204 | 157.2 Ų | 157.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -106.8 | 87.6 | 160.1 | -81.8 | -82.2 | 0 | 0 | 0 | 108.1 | K75 | K75-Y77 HydrophobicContact CB-CD2 4.26Å; K75-Y77 HydrophobicContact CB-CE2 4.14Å; K75-Y77 PolarHBondContact O-N 3.16Å |
| 78 | S | 38.3 | Very low | 42.6 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -60.5 | 131.4 | 157.3 | 63.6 | 0 | 0 | 0 | 0 | 109 | | |
| 79 | G | 38.3 | Very low | 42.8 | Very low | 62 Ų | 62 | 157 Ų | 157 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | | | trans | 162.5 | -19.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 80 | Y | 41.1 | Very low | 42.9 | Very low | 218 Ų | 218 | 154.1 Ų | 154.1 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | -115.5 | 102.7 | -177.2 | -62.3 | -74.4 | 0 | 0 | 0 | 111.6 | I82 | Y80-I82 VanDerWaalsContact C-N 3.25Å; Y80-I82 PolarHBondContact O-N 3.13Å |
| 81 | R | 38.5 | Very low | 43.4 | Very low | 247 Ų | 247 | 156.8 Ų | 156.8 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | -64.9 | 80.4 | 171.5 | -154.8 | -173.3 | -155.6 | -151.6 | 6.7 | 108.6 | Q83 | R81-Q83 PolarHBondContact O-N 3.07Å; R81-Q83 VanDerWaalsContact O-N 3.15Å |
| 82 | I | 46.1 | Very low | 43.8 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 77% | 0.774 | 79% | 0.788 | S | S | * | * | | | trans | -78.7 | 99.4 | 174.6 | -57.9 | -179.7 | 0 | 0 | 0 | 107.5 | Y80 | Y80-I82 VanDerWaalsContact C-N 3.25Å; Y80-I82 PolarHBondContact O-N 3.13Å |
| 83 | Q | 46.3 | Very low | 44 | Very low | 162 Ų | 162 | 156 Ų | 156 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 134.8 | 165.1 | -90.2 | 172.8 | -19 | 0 | 0 | 109.8 | R81 | R81-Q83 PolarHBondContact O-N 3.07Å; R81-Q83 VanDerWaalsContact O-N 3.15Å |
| 84 | P | 52 | Low | 44.5 | Very low | 114 Ų | 114 | 152.3 Ų | 152.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.5 | 169.9 | 26.8 | -31.3 | 0 | 0 | 0 | 108 | A86 | P84-A86 PolarHBondContact O-N 2.94Š|
| 85 | P | 50.9 | Low | 44.7 | Very low | 116 Ų | 116 | 148.2 Ų | 148.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 131.3 | 176.7 | 24.1 | -31 | 0 | 0 | 0 | 108.9 | Q87 | P85-Q87 PolarHBondContact O-N 3.42Å; P85-Q87 VanDerWaalsContact O-N 3.14Å |
| 86 | A | 47.8 | Very low | 44.5 | Very low | 91 Ų | 91 | 148.8 Ų | 148.8 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -47 | 118.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P84 S88 | P84-A86 PolarHBondContact O-N 2.94Å; A86-S88 PolarHBondContact O-N 3.07Å |
| 87 | Q | 47.5 | Very low | 44.8 | Very low | 200 Ų | 200 | 143.3 Ų | 143.3 | 94% | 0.935 | 75% | 0.746 | S | S | * | * | | | trans | -65.7 | 82.9 | 175 | -71.4 | 179.2 | -20.7 | 0 | 0 | 109.7 | P85 | P85-Q87 PolarHBondContact O-N 3.42Å; P85-Q87 VanDerWaalsContact O-N 3.14Å |
| 88 | S | 42 | Very low | 45.1 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | | | trans | -111 | 55.4 | 163.6 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | A86 K90 | A86-S88 PolarHBondContact O-N 3.07Å; S88-K90 PolarHBondContact O-N 3.17Å |
| 89 | R | 44.7 | Very low | 45.6 | Very low | 227 Ų | 227 | 142 Ų | 142 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | | | trans | -73.5 | 89.3 | 162.4 | -71.2 | -173.6 | -177.5 | -176.2 | 0.9 | 107.1 | I91 | R89-I91 HydrophobicContact CB-CG1 4.35Å; R89-I91 PolarHBondContact O-N 3.02Å |
| 90 | K | 41.5 | Very low | 46.2 | Very low | 190 Ų | 190 | 147.3 Ų | 147.3 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -57.3 | 96.6 | 146.5 | -90.4 | -173.5 | 175.9 | -177.1 | 0 | 105.4 | S88 T92 | S88-K90 PolarHBondContact O-N 3.17Å; K90-T92 PolarHBondContact O-N 2.85Å |
| 91 | I | 47.6 | Very low | 46.7 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | | | trans | -70.1 | 80 | 160.1 | -56 | 172.1 | 0 | 0 | 0 | 103.9 | R89 D93 | R89-I91 HydrophobicContact CB-CG1 4.35Å; R89-I91 PolarHBondContact O-N 3.02Å; I91-D93 HydrophobicContact CG2-CB 4.22Å; I91-D93 PolarHBondContact O-N 3.32Å |
| 92 | T | 45 | Very low | 47.8 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 64% | 0.638 | 72% | 0.718 | S | S | * | * | | | trans | -70.2 | 92.7 | 154.9 | 41.2 | 0 | 0 | 0 | 0 | 104.5 | K90 S94 | K90-T92 PolarHBondContact O-N 2.85Å; T92-S94 PolarHBondContact O-N 3.23Å; T92-S94 PolarHBondContact O-OG 2.9Å |
| 93 | D | 42.9 | Very low | 48.1 | Very low | 101 Ų | 101 | 136.3 Ų | 136.3 | 54% | 0.54 | 72% | 0.721 | S | S | . | * | | | trans | -69.1 | 66.9 | 167.8 | -156.6 | -1.8 | 0 | 0 | 0 | 108 | I91 N95 Y96 | I91-D93 HydrophobicContact CG2-CB 4.22Å; I91-D93 PolarHBondContact O-N 3.32Å; D93-N95 VanDerWaalsContact C-N 3.28Å; D93-Y96 VanDerWaalsContact CG-CD2 3.46Å; D93-Y96 VanDerWaalsContact OD1-CD2 3.23Å; D93-Y96 WeakPolarHBondContact OD1-CD2 3.45Å; D93-Y96 VanDerWaalsContact OD2-CD2 3.3Å; D93-Y96 WeakPolarHBondContact OD2-CD2 3.14Å; D93-Y96 VanDerWaalsContact OD2-CE2 3.27Å; D93-Y96 WeakPolarHBondContact OD2-CE2 3.44Å |
| 94 | S | 48.4 | Very low | 48.6 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | | | trans | -94.8 | 13.9 | 177.7 | 55.7 | 0 | 0 | 0 | 0 | 111.5 | T92 | T92-S94 PolarHBondContact O-N 3.23Å; T92-S94 PolarHBondContact O-OG 2.9Å |
| 95 | N | 44.8 | Very low | 49.1 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | trans | -108.5 | 1.4 | 175.6 | -72.2 | -21.8 | 0 | 0 | 0 | 113.5 | D93 G97 | D93-N95 VanDerWaalsContact C-N 3.28Å; N95-G97 PolarHBondContact O-N 3.04Å |
| 96 | Y | 43.5 | Very low | 49.8 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 67% | 0.667 | 72% | 0.716 | S | S | * | * | | | trans | -77.5 | 69.4 | 149.8 | -74.2 | -84.1 | 0 | 0 | 0 | 108.8 | D93 F99 | D93-Y96 VanDerWaalsContact CG-CD2 3.46Å; D93-Y96 VanDerWaalsContact OD1-CD2 3.23Å; D93-Y96 WeakPolarHBondContact OD1-CD2 3.45Å; D93-Y96 VanDerWaalsContact OD2-CD2 3.3Å; D93-Y96 WeakPolarHBondContact OD2-CD2 3.14Å; D93-Y96 VanDerWaalsContact OD2-CE2 3.27Å; D93-Y96 WeakPolarHBondContact OD2-CE2 3.44Å; Y96-F99 HydrophobicContact CD1-CE2 4.49Å; Y96-F99 HydrophobicContact CE1-CE2 4.32Å |
| 97 | G | 48.9 | Very low | 51 | Low | 43 Ų | 43 | 139.4 Ų | 139.4 | 44% | 0.443 | 72% | 0.718 | S | S | . | * | | | trans | -59 | 157.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | N95 F99 | N95-G97 PolarHBondContact O-N 3.04Å; G97-F99 PolarHBondContact O-N 2.86Å; G97-F99 VanDerWaalsContact O-N 3.13Å |
| 98 | P | 51.9 | Low | 52.2 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | -54 | 129.2 | 179.3 | 26.2 | -32.4 | 0 | 0 | 0 | 107.7 | E100 | P98-E100 PolarHBondContact O-N 3.25Š|
| 99 | F | 47.9 | Very low | 53.6 | Low | 183 Ų | 183 | 132 Ų | 132 | 80% | 0.803 | 68% | 0.679 | S | S | * | * | | | trans | -54.7 | 87.3 | 174.4 | -118 | -98.2 | 0 | 0 | 0 | 109 | Y96 G97 S101 | Y96-F99 HydrophobicContact CD1-CE2 4.49Å; Y96-F99 HydrophobicContact CE1-CE2 4.32Å; G97-F99 PolarHBondContact O-N 2.86Å; G97-F99 VanDerWaalsContact O-N 3.13Å; F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.87Å; F99-S101 VanDerWaalsContact O-N 3.13Å |
| 100 | E | 51.7 | Low | 54.5 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | | | trans | -83.1 | 82.7 | 169.7 | -75.9 | -171.8 | 173 | 0 | 0 | 106.9 | P98 | P98-E100 PolarHBondContact O-N 3.25Š|
| 101 | S | 51.1 | Low | 55.7 | Low | 48 Ų | 48 | 122.6 Ų | 122.6 | 34% | 0.336 | 67% | 0.669 | S | S | . | * | | | trans | -57.7 | 127.1 | 166.1 | 59.1 | 0 | 0 | 0 | 0 | 108.8 | F99 Y103 R104 | F99-S101 VanDerWaalsContact C-N 3.29Å; F99-S101 PolarHBondContact O-N 2.87Å; F99-S101 VanDerWaalsContact O-N 3.13Å; S101-Y103 PolarHBondContact O-N 3.13Å; S101-R104 PolarHBondContact O-N 2.69Å |
| 102 | P | 60.5 | Low | 56.5 | Low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 6.7 | -177.1 | 25.5 | -32.4 | 0 | 0 | 0 | 114.6 | | |
| 103 | Y | 53.9 | Low | 57.1 | Low | 214 Ų | 214 | 126.5 Ų | 126.5 | 84% | 0.839 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 9.8 | 179.3 | -68.3 | -76.6 | 0 | 0 | 0 | 114.4 | S101 P105 | S101-Y103 PolarHBondContact O-N 3.13Å; Y103-P105 WeakPolarHBondContact O-CD 3.24Å |
| 104 | R | 56.3 | Low | 57.8 | Low | 201 Ų | 201 | 127.9 Ų | 127.9 | 76% | 0.758 | 68% | 0.68 | S | S | * | * | | | trans | -88.9 | 109.4 | 170 | -81.5 | -171.4 | -173.2 | -155.2 | 3.2 | 109.8 | S101 | S101-R104 PolarHBondContact O-N 2.69Š|
| 105 | P | 62.6 | Low | 58.2 | Low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | | | trans | -57.1 | 142.8 | 166.7 | 24.8 | -32.3 | 0 | 0 | 0 | 108.6 | Y103 V107 | Y103-P105 WeakPolarHBondContact O-CD 3.24Å; P105-V107 PolarHBondContact O-N 3.02Å |
| 106 | P | 65.1 | Low | 58.4 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | | | trans | -54.5 | 119 | -179.9 | 20.4 | -30.8 | 0 | 0 | 0 | 109.1 | I108 | P106-I108 VanDerWaalsContact C-N 3.3Å; P106-I108 PolarHBondContact O-N 3.13Å |
| 107 | V | 72.4 | Confident | 58.7 | Low | 132 Ų | 132 | 127 Ų | 127 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | | | trans | -69 | 94.9 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 106.6 | P105 P109 | P105-V107 PolarHBondContact O-N 3.02Å; V107-P109 VanDerWaalsContact O-CD 3.26Å; V107-P109 WeakPolarHBondContact O-CD 3.15Å |
| 108 | I | 73.1 | Confident | 58.7 | Low | 92 Ų | 92 | 128.7 Ų | 128.7 | 47% | 0.472 | 70% | 0.703 | S | S | . | * | | | trans | -64.2 | 115.7 | 175.1 | -59.3 | 171.7 | 0 | 0 | 0 | 106.6 | P106 K112 R113 | P106-I108 VanDerWaalsContact C-N 3.3Å; P106-I108 PolarHBondContact O-N 3.13Å; I108-K112 HydrophobicContact CG2-CB 3.96Å; I108-K112 WeakPolarHBondContact CG2-O 3.46Å; I108-R113 HydrophobicContact CG2-CG 4Å |
| 109 | P | 71.2 | Confident | 58.5 | Low | 58 Ų | 58 | 132.3 Ų | 132.3 | 38% | 0.377 | 71% | 0.707 | S | S | . | * | | | trans | -57.6 | 147.1 | 177.8 | 21.7 | -30.4 | 0 | 0 | 0 | 109.3 | V107 S111 K112 | V107-P109 VanDerWaalsContact O-CD 3.26Å; V107-P109 WeakPolarHBondContact O-CD 3.15Å; P109-S111 PolarHBondContact O-N 2.89Å; P109-K112 HydrophobicContact CG-CB 4.13Å; P109-K112 HydrophobicContact CG-CD 4.21Å; P109-K112 HydrophobicContact CG-CG 4.09Å; P109-K112 PolarHBondContact O-N 2.9Å |
| 110 | P | 63.7 | Low | 58.3 | Low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -50.9 | -31.7 | -175.6 | -25.4 | 31.8 | 0 | 0 | 0 | 113.3 | K112 | P110-K112 VanDerWaalsContact C-N 3.33Å; P110-K112 PolarHBondContact O-N 3.02Å |
| 111 | S | 68.4 | Low | 58 | Low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -73 | -12.2 | 178.8 | 53.2 | 0 | 0 | 0 | 0 | 115.7 | P109 | P109-S111 PolarHBondContact O-N 2.89Š|
| 112 | K | 64.4 | Low | 57.9 | Low | 152 Ų | 152 | 140.4 Ų | 140.4 | 66% | 0.661 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -116.8 | 10.3 | 179.8 | -66.1 | -166.7 | 178.7 | -176 | 0 | 113.9 | I108 P109 P110 V114 | I108-K112 HydrophobicContact CG2-CB 3.96Å; I108-K112 WeakPolarHBondContact CG2-O 3.46Å; P109-K112 HydrophobicContact CG-CB 4.13Å; P109-K112 HydrophobicContact CG-CD 4.21Å; P109-K112 HydrophobicContact CG-CG 4.09Å; P109-K112 PolarHBondContact O-N 2.9Å; P110-K112 VanDerWaalsContact C-N 3.33Å; P110-K112 PolarHBondContact O-N 3.02Å; K112-V114 VanDerWaalsContact C-N 3.32Å; K112-V114 PolarHBondContact O-N 3.42Å |
| 113 | R | 57.3 | Low | 57.6 | Low | 176 Ų | 176 | 141.7 Ų | 141.7 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | trans | -68.9 | 93.9 | 169.8 | -67.7 | -176.9 | -172 | 174.9 | 1.7 | 108.2 | I108 L115 | I108-R113 HydrophobicContact CG2-CG 4Å; R113-L115 PolarHBondContact O-N 3.02Å; R113-L115 VanDerWaalsContact O-N 3.07Å |
| 114 | V | 57.5 | Low | 57.2 | Low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | trans | -63 | 110.1 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 108 | K112 S116 | K112-V114 VanDerWaalsContact C-N 3.32Å; K112-V114 PolarHBondContact O-N 3.42Å; V114-S116 PolarHBondContact O-N 2.87Å |
| 115 | L | 55.2 | Low | 56.7 | Low | 170 Ų | 170 | 142.4 Ų | 142.4 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | | | trans | -70.9 | 97.9 | 168.8 | -69 | 161.2 | 0 | 0 | 0 | 108.8 | R113 | R113-L115 PolarHBondContact O-N 3.02Å; R113-L115 VanDerWaalsContact O-N 3.07Å |
| 116 | S | 50.3 | Low | 55.6 | Low | 85 Ų | 85 | 140.7 Ų | 140.7 | 59% | 0.594 | 75% | 0.748 | S | S | * | * | | | trans | -171.6 | 121.4 | 146.9 | 59.7 | 0 | 0 | 0 | 0 | 112.5 | V114 | V114-S116 PolarHBondContact O-N 2.87Š|
| 117 | P | 49.2 | Very low | 54.4 | Low | 138 Ų | 138 | 139.6 Ų | 139.6 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | | | trans | -85.9 | 111 | 161.7 | 32.4 | -23.8 | 0 | 0 | 0 | 108.2 | | |
| 118 | A | 50 | Low | 53.2 | Low | 79 Ų | 79 | 141.6 Ų | 141.6 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | | | trans | -129.6 | 103 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 119 | K | 45.9 | Very low | 51.6 | Low | 187 Ų | 187 | 142.4 Ų | 142.4 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | 70.1 | 78.1 | 147.4 | -53.1 | -179.2 | -176.2 | -178.6 | 0 | 118.3 | | |
| 120 | Y | 43.8 | Very low | 50.3 | Low | 227 Ų | 227 | 145.9 Ų | 145.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -81.6 | 104.2 | 144.1 | -82.4 | -91.6 | 0 | 0 | 0 | 108.3 | | |
| 121 | Q | 46.2 | Very low | 49.4 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -131.1 | 26.5 | 178.2 | -107.8 | -171.7 | -3.2 | 0 | 0 | 113.8 | | |
| 122 | H | 49.7 | Very low | 48.3 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -125 | 12.2 | 177.9 | -84.5 | -76.4 | 0 | 0 | 0 | 115.7 | | |
| 123 | L | 54.3 | Low | 47.6 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -128.6 | 113.5 | 177.3 | -68.4 | 166.8 | 0 | 0 | 0 | 110 | | |
| 124 | R | 44.5 | Very low | 47.3 | Very low | 242 Ų | 242 | 148 Ų | 148 | 91% | 0.913 | 81% | 0.808 | S | S | * | * | | | trans | 92.4 | 85.2 | 170.3 | -57.5 | -174.2 | 171.4 | 167.6 | -1.1 | 117.7 | | |
| 125 | L | 46.6 | Very low | 47 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 98% | 0.979 | 80% | 0.803 | S | S | * | * | | | trans | -141.6 | 122.5 | 134 | -87.7 | 171.1 | 0 | 0 | 0 | 107.8 | | |
| 126 | G | 38 | Very low | 46.7 | Very low | 66 Ų | 66 | 144.8 Ų | 144.8 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | 113.8 | 67 | -167 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 127 | A | 41.2 | Very low | 47 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | | 43.2 | 88 | 53 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 128 | L | 47.5 | Very low | 47.4 | Very low | 175 Ų | 175 | 147.5 Ų | 147.5 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | | | | 173.3 | 131.6 | 122.8 | -84.3 | 164 | 0 | 0 | 0 | 109.7 | | |
| 129 | S | 38.4 | Very low | 47.9 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 77.4 | 113.6 | 158.1 | -144.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 130 | P | 43.3 | Very low | 48.6 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -95.5 | 95.1 | 167 | 34.6 | -22.8 | 0 | 0 | 0 | 109.5 | | |
| 131 | A | 44.7 | Very low | 49.3 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -164.5 | 118.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 132 | T | 45.5 | Very low | 49.8 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | | | trans | 50.9 | 72.5 | 153.1 | 43.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 133 | E | 50.1 | Low | 49.7 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | trans | -135.6 | 119.7 | 151.9 | -133.5 | 169.3 | -163.4 | 0 | 0 | 107.6 | S135 | E133-S135 PolarHBondContact O-N 2.81Š|
| 134 | K | 52 | Low | 49.9 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -58.7 | 100.8 | 177.6 | -61.8 | 170 | -179.2 | 179.5 | 0 | 105.9 | D136 | K134-D136 PolarHBondContact O-N 2.97Š|
| 135 | S | 49.9 | Very low | 50.5 | Low | 100 Ų | 100 | 129.3 Ų | 129.3 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | trans | -66.8 | 97.7 | 161 | 58.3 | 0 | 0 | 0 | 0 | 104.6 | E133 I137 | E133-S135 PolarHBondContact O-N 2.81Å; S135-I137 PolarHBondContact O-N 3.45Å |
| 136 | D | 49.5 | Very low | 51 | Low | 132 Ų | 132 | 131 Ų | 131 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -55.8 | 85.4 | 160.9 | -68.3 | -30.5 | 0 | 0 | 0 | 105.7 | K134 D138 | K134-D136 PolarHBondContact O-N 2.97Å; D136-D138 PolarHBondContact O-N 2.8Å |
| 137 | I | 55.9 | Low | 52 | Low | 134 Ų | 134 | 137.7 Ų | 137.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | -62.7 | 97.3 | 152.2 | -61.4 | 169.3 | 0 | 0 | 0 | 100.7 | S135 V139 | S135-I137 PolarHBondContact O-N 3.45Å; I137-V139 HydrophobicContact CG2-CG2 4.37Å; I137-V139 WeakPolarHBondContact O-CG2 3.33Å; I137-V139 PolarHBondContact O-N 3.14Å |
| 138 | D | 58 | Low | 53.2 | Low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | trans | -52.5 | 91.4 | 158.4 | -77.7 | -28.8 | 0 | 0 | 0 | 104.1 | D136 D140 | D136-D138 PolarHBondContact O-N 2.8Å; D138-D140 PolarHBondContact O-N 2.99Å |
| 139 | V | 60.9 | Low | 54.1 | Low | 95 Ų | 95 | 134.6 Ų | 134.6 | 58% | 0.576 | 74% | 0.738 | S | S | * | * | | | trans | -63.8 | 103.2 | 164.9 | -164 | 0 | 0 | 0 | 0 | 99.9 | I137 L141 | I137-V139 HydrophobicContact CG2-CG2 4.37Å; I137-V139 WeakPolarHBondContact O-CG2 3.33Å; I137-V139 PolarHBondContact O-N 3.14Å; V139-L141 HydrophobicContact CB-CD1 3.75Å; V139-L141 HydrophobicContact CB-CD2 4.28Å; V139-L141 HydrophobicContact CB-CG 3.59Å; V139-L141 HydrophobicContact CG1-CD1 3.82Å; V139-L141 HydrophobicContact CG1-CD2 3.47Å; V139-L141 VanDerWaalsContact CG1-CD2 3.47Å; V139-L141 HydrophobicContact CG1-CG 3.36Å; V139-L141 WeakPolarHBondContact O-CB 3.35Å; V139-L141 WeakPolarHBondContact O-CG 3.41Å; V139-L141 PolarHBondContact O-N 3Å |
| 140 | D | 61.2 | Low | 55.5 | Low | 126 Ų | 126 | 137.5 Ų | 137.5 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | | | trans | -62.6 | 69.8 | 175.2 | -156 | 10.3 | 0 | 0 | 0 | 106.1 | D138 | D138-D140 PolarHBondContact O-N 2.99Š|
| 141 | L | 58.6 | Low | 56.3 | Low | 145 Ų | 145 | 133.6 Ų | 133.6 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | | | trans | -88.4 | 3.9 | -176.9 | -73.2 | 174.2 | 0 | 0 | 0 | 110.2 | V139 G143 | V139-L141 HydrophobicContact CB-CD1 3.75Å; V139-L141 HydrophobicContact CB-CD2 4.28Å; V139-L141 HydrophobicContact CB-CG 3.59Å; V139-L141 HydrophobicContact CG1-CD1 3.82Å; V139-L141 HydrophobicContact CG1-CD2 3.47Å; V139-L141 VanDerWaalsContact CG1-CD2 3.47Å; V139-L141 HydrophobicContact CG1-CG 3.36Å; V139-L141 WeakPolarHBondContact O-CB 3.35Å; V139-L141 WeakPolarHBondContact O-CG 3.41Å; V139-L141 PolarHBondContact O-N 3Å; L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.22Å |
| 142 | V | 55.8 | Low | 57.3 | Low | 102 Ų | 102 | 141.8 Ų | 141.8 | 62% | 0.618 | 73% | 0.731 | S | S | * | * | | | trans | -99.6 | 62.2 | 168.3 | -150.9 | 0 | 0 | 0 | 0 | 106.8 | E144 | V142-E144 HydrophobicContact CG1-CB 3.97Å; V142-E144 HydrophobicContact CG1-CG 3.65Å; V142-E144 PolarHBondContact O-N 3.01Å |
| 143 | G | 48.7 | Very low | 57.9 | Low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | | | trans | -66.8 | 46.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L141 | L141-G143 VanDerWaalsContact C-N 3.26Å; L141-G143 PolarHBondContact O-N 3.22Å |
| 144 | E | 57.3 | Low | 58.2 | Low | 159 Ų | 159 | 137.9 Ų | 137.9 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | trans | -80.7 | -25.4 | -177.2 | -85.8 | -154.2 | 163.9 | 0 | 0 | 113.1 | V142 | V142-E144 HydrophobicContact CG1-CB 3.97Å; V142-E144 HydrophobicContact CG1-CG 3.65Å; V142-E144 PolarHBondContact O-N 3.01Å |
| 145 | D | 58.1 | Low | 58.5 | Low | 147 Ų | 147 | 133.4 Ų | 133.4 | 79% | 0.786 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -154.9 | 41.3 | -161.9 | -116 | -11.7 | 0 | 0 | 0 | 115.9 | | |
| 146 | R | 55.7 | Low | 59 | Low | 223 Ų | 223 | 138.3 Ų | 138.3 | 84% | 0.842 | 71% | 0.71 | S | S | * | * | | | trans | -111.6 | 34.1 | 162.6 | -59.3 | -162.9 | -167.6 | -168.5 | 8.7 | 112.9 | D148 | R146-D148 PolarHBondContact O-N 3.04Š|
| 147 | Y | 59.9 | Low | 59.6 | Low | 206 Ų | 206 | 136.2 Ų | 136.2 | 81% | 0.808 | 70% | 0.702 | S | S | * | * | | | trans | -69.3 | 79.7 | 156.4 | -126.7 | -81.2 | 0 | 0 | 0 | 107.5 | P149 | Y147-P149 WeakPolarHBondContact O-CD 3.4Š|
| 148 | D | 67.3 | Low | 60 | Low | 75 Ų | 75 | 133.1 Ų | 133.1 | 40% | 0.401 | 69% | 0.69 | S | S | . | * | | | trans | -72.9 | 109.4 | 168.5 | 174.8 | 9.7 | 0 | 0 | 0 | 107.3 | R146 Q150 S151 | R146-D148 PolarHBondContact O-N 3.04Å; D148-Q150 PolarHBondContact O-N 2.96Å; D148-Q150 VanDerWaalsContact O-N 3.12Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.26Å; D148-Q150 VanDerWaalsContact OD1-CB 3.25Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.33Å; D148-S151 VanDerWaalsContact CG-N 3.31Å; D148-S151 WeakPolarHBondContact O-CB 3.2Å; D148-S151 PolarHBondContact O-N 2.71Å; D148-S151 PolarHBondContact O-OG 3.38Å; D148-S151 PolarHBondContact OD1-N 3.15Å; D148-S151 PolarHBondContact OD2-N 3.38Å |
| 149 | P | 65.8 | Low | 60.1 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -16.7 | 179.3 | -14.4 | 30.8 | 0 | 0 | 0 | 111.9 | Y147 | Y147-P149 WeakPolarHBondContact O-CD 3.4Š|
| 150 | Q | 66.6 | Low | 59.9 | Low | 169 Ų | 169 | 132.9 Ų | 132.9 | 79% | 0.79 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | -14.3 | 175.6 | -52.2 | -169.7 | -33 | 0 | 0 | 112.4 | D148 R152 | D148-Q150 PolarHBondContact O-N 2.96Å; D148-Q150 VanDerWaalsContact O-N 3.12Å; D148-Q150 WeakPolarHBondContact OD1-CA 3.26Å; D148-Q150 VanDerWaalsContact OD1-CB 3.25Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; D148-Q150 PolarHBondContact OD1-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.27Å; Q150-R152 VanDerWaalsContact O-N 3.08Å |
| 151 | S | 61.8 | Low | 59.8 | Low | 50 Ų | 50 | 129.5 Ų | 129.5 | 35% | 0.35 | 68% | 0.677 | S | S | . | * | | | trans | -71.6 | 108.7 | 174.1 | 81 | 0 | 0 | 0 | 0 | 109.2 | D148 A153 | D148-S151 VanDerWaalsContact CG-N 3.31Å; D148-S151 WeakPolarHBondContact O-CB 3.2Å; D148-S151 PolarHBondContact O-N 2.71Å; D148-S151 PolarHBondContact O-OG 3.38Å; D148-S151 PolarHBondContact OD1-N 3.15Å; D148-S151 PolarHBondContact OD2-N 3.38Å; S151-A153 PolarHBondContact O-N 3.47Å |
| 152 | R | 63.7 | Low | 59.7 | Low | 245 Ų | 245 | 127.9 Ų | 127.9 | 93% | 0.925 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 12.7 | 172.7 | -68.3 | -179.1 | 174.2 | 175.3 | -2 | 113.1 | Q150 F154 | Q150-R152 PolarHBondContact O-N 3.27Å; Q150-R152 VanDerWaalsContact O-N 3.08Å; R152-F154 VanDerWaalsContact C-N 3.26Å; R152-F154 PolarHBondContact O-N 3.46Å |
| 153 | A | 59 | Low | 59.9 | Low | 75 Ų | 75 | 126.1 Ų | 126.1 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -15.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S151 | S151-A153 PolarHBondContact O-N 3.47Š|
| 154 | F | 57.1 | Low | 60.3 | Low | 174 Ų | 174 | 129.1 Ų | 129.1 | 76% | 0.763 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -128 | 78.3 | 172.7 | -58.4 | -78.3 | 0 | 0 | 0 | 108.9 | R152 Y156 | R152-F154 VanDerWaalsContact C-N 3.26Å; R152-F154 PolarHBondContact O-N 3.46Å; F154-Y156 PolarHBondContact O-N 3.32Å |
| 155 | S | 57.7 | Low | 60.3 | Low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 64% | 0.644 | S | S | * | * | | | trans | -57.2 | 111.2 | 161.7 | 55.5 | 0 | 0 | 0 | 0 | 107.2 | V157 | S155-V157 PolarHBondContact O-N 3.47Š|
| 156 | Y | 59.9 | Low | 60.4 | Low | 203 Ų | 203 | 129 Ų | 129 | 80% | 0.796 | 64% | 0.642 | S | S | * | * | | | trans | -57.7 | 93.4 | 168 | -170.9 | -96.5 | 0 | 0 | 0 | 107 | F154 P158 | F154-Y156 PolarHBondContact O-N 3.32Å; Y156-P158 WeakPolarHBondContact O-CD 3.27Å |
| 157 | V | 62.4 | Low | 60.8 | Low | 87 Ų | 87 | 127.8 Ų | 127.8 | 53% | 0.527 | 64% | 0.638 | S | S | . | * | | | trans | -69.5 | 110 | 168.2 | 177.8 | 0 | 0 | 0 | 0 | 104 | S155 A159 | S155-V157 PolarHBondContact O-N 3.47Å; V157-A159 PolarHBondContact O-N 3.27Å; V157-A159 VanDerWaalsContact O-N 3.17Å |
| 158 | P | 65.5 | Low | 60.9 | Low | 69 Ų | 69 | 122.3 Ų | 122.3 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | | | trans | -56.6 | 129.8 | 179.1 | -20.7 | 33.6 | 0 | 0 | 0 | 107.6 | Y156 Q160 S161 | Y156-P158 WeakPolarHBondContact O-CD 3.27Å; P158-Q160 PolarHBondContact O-N 3.42Å; P158-S161 PolarHBondContact O-N 3.48Å |
| 159 | A | 59.8 | Low | 60.5 | Low | 70 Ų | 70 | 124.2 Ų | 124.2 | 58% | 0.579 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -20.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V157 S161 L162 | V157-A159 PolarHBondContact O-N 3.27Å; V157-A159 VanDerWaalsContact O-N 3.17Å; A159-S161 PolarHBondContact O-N 3.38Å; A159-L162 PolarHBondContact O-N 3.15Å |
| 160 | Q | 56.3 | Low | 60.7 | Low | 167 Ų | 167 | 127.2 Ų | 127.2 | 78% | 0.78 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -58.7 | -28.9 | 171.6 | -67.9 | -169.7 | -20.8 | 0 | 0 | 113.9 | P158 V163 | P158-Q160 PolarHBondContact O-N 3.42Å; Q160-V163 PolarHBondContact O-N 3.13Å |
| 161 | S | 58 | Low | 60.7 | Low | 55 Ų | 55 | 128.1 Ų | 128.1 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.6 | -24.2 | 177.7 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | P158 A159 H165 | P158-S161 PolarHBondContact O-N 3.48Å; A159-S161 PolarHBondContact O-N 3.38Å; S161-H165 PolarHBondContact O-CD2 3.47Å |
| 162 | L | 56.5 | Low | 60.9 | Low | 110 Ų | 110 | 131.4 Ų | 131.4 | 58% | 0.576 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -80.8 | -29.7 | 175.6 | -78.8 | 167.9 | 0 | 0 | 0 | 111.8 | A159 H165 F166 | A159-L162 PolarHBondContact O-N 3.15Å; L162-H165 PolarHBondContact O-N 3.14Å; L162-F166 WeakPolarHBondContact O-CD2 3.23Å |
| 163 | V | 59.9 | Low | 61.2 | Low | 66 Ų | 66 | 126.2 Ų | 126.2 | 40% | 0.4 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -71.2 | -30.6 | -179.7 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | Q160 H165 F166 R167 | Q160-V163 PolarHBondContact O-N 3.13Å; V163-H165 VanDerWaalsContact C-N 3.32Å; V163-H165 PolarHBondContact O-N 3.19Å; V163-F166 PolarHBondContact O-N 3.15Å; V163-R167 PolarHBondContact O-N 3.48Å |
| 164 | E | 58.3 | Low | 61.3 | Low | 142 Ų | 142 | 131.9 Ų | 131.9 | 66% | 0.664 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.1 | -25.9 | 179.4 | -135.9 | 176 | -159.3 | 0 | 0 | 112.9 | F166 T168 | E164-F166 VanDerWaalsContact C-N 3.27Å; E164-F166 PolarHBondContact O-N 2.9Å; E164-T168 PolarHBondContact O-OG1 3.43Å |
| 165 | H | 56.7 | Low | 61.4 | Low | 131 Ų | 131 | 129.6 Ų | 129.6 | 61% | 0.606 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -70 | -20.4 | 175.7 | -79.2 | -66.8 | 0 | 0 | 0 | 113.9 | S161 L162 V163 | S161-H165 PolarHBondContact O-CD2 3.47Å; L162-H165 PolarHBondContact O-N 3.14Å; V163-H165 VanDerWaalsContact C-N 3.32Å; V163-H165 PolarHBondContact O-N 3.19Å |
| 166 | F | 60.7 | Low | 61.4 | Low | 171 Ų | 171 | 131.7 Ų | 131.7 | 75% | 0.75 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -99.3 | -20.8 | 179.3 | -65.9 | -75.1 | 0 | 0 | 0 | 114.1 | L162 V163 E164 | L162-F166 WeakPolarHBondContact O-CD2 3.23Å; V163-F166 PolarHBondContact O-N 3.15Å; E164-F166 VanDerWaalsContact C-N 3.27Å; E164-F166 PolarHBondContact O-N 2.9Å |
| 167 | R | 63.4 | Low | 61 | Low | 198 Ų | 198 | 126 Ų | 126 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -86.2 | -18.7 | -178.8 | -71.6 | -173 | 175.6 | 147.5 | 1 | 114.2 | V163 | V163-R167 PolarHBondContact O-N 3.48Å |
| 168 | T | 62.9 | Low | 60.6 | Low | 91 Ų | 91 | 128 Ų | 128 | 56% | 0.558 | 67% | 0.673 | S | S | * | * | | | trans | -135.7 | 90.2 | 176.7 | 33.3 | 0 | 0 | 0 | 0 | 109.5 | E164 K170 | E164-T168 PolarHBondContact O-OG1 3.43Å; T168-K170 PolarHBondContact O-N 3Å |
| 169 | P | 59.1 | Low | 59.7 | Low | 115 Ų | 115 | 133.6 Ų | 133.6 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | | | trans | -59.9 | 104.8 | 165.6 | 24.3 | -30.7 | 0 | 0 | 0 | 107.4 | K171 | P169-K171 PolarHBondContact O-N 3.09Š|
| 170 | K | 68.9 | Low | 59.2 | Low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | | | trans | -57.6 | 114.7 | 170 | -75.7 | -179.8 | 178.4 | 172.9 | 0 | 106.2 | T168 | T168-K170 PolarHBondContact O-N 3Š|
| 171 | K | 67.7 | Low | 58.7 | Low | 188 Ų | 188 | 139.1 Ų | 139.1 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -46.6 | 126.3 | 176.2 | -69 | 178.6 | 178.9 | 179.3 | 0 | 108.1 | P169 T173 | P169-K171 PolarHBondContact O-N 3.09Å; K171-T173 PolarHBondContact O-N 2.9Å |
| 172 | P | 66.5 | Low | 58.1 | Low | 119 Ų | 119 | 140.6 Ų | 140.6 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 120.1 | 177.6 | 20.6 | -30.1 | 0 | 0 | 0 | 107.9 | K174 | P172-K174 PolarHBondContact O-N 2.88Å; P172-K174 VanDerWaalsContact O-N 3.17Å |
| 173 | T | 68.4 | Low | 57.5 | Low | 136 Ų | 136 | 143.4 Ų | 143.4 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -59 | 121.4 | 172.4 | -64.1 | 0 | 0 | 0 | 0 | 106 | K171 V175 | K171-T173 PolarHBondContact O-N 2.9Å; T173-V175 PolarHBondContact O-N 2.73Å |
| 174 | K | 62.6 | Low | 56.8 | Low | 194 Ų | 194 | 147.8 Ų | 147.8 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | | | trans | -30.2 | 110.5 | -174 | -62 | 176.2 | -179.4 | -179 | 0 | 111.5 | P172 I176 | P172-K174 PolarHBondContact O-N 2.88Å; P172-K174 VanDerWaalsContact O-N 3.17Å; K174-I176 PolarHBondContact O-N 2.99Å; K174-I176 VanDerWaalsContact O-N 3.13Å |
| 175 | V | 58.4 | Low | 56.3 | Low | 126 Ų | 126 | 148.3 Ų | 148.3 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | trans | -59 | 116.9 | 168.6 | -170.3 | 0 | 0 | 0 | 0 | 106 | T173 P177 | T173-V175 PolarHBondContact O-N 2.73Å; V175-P177 WeakPolarHBondContact O-CD 3.3Å |
| 176 | I | 57.5 | Low | 55.4 | Low | 138 Ų | 138 | 145.8 Ų | 145.8 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -83.3 | 107.6 | 171.6 | -61.8 | 170.7 | 0 | 0 | 0 | 105.7 | K174 T178 | K174-I176 PolarHBondContact O-N 2.99Å; K174-I176 VanDerWaalsContact O-N 3.13Å; I176-T178 PolarHBondContact O-N 2.93Å |
| 177 | P | 51.7 | Low | 54.6 | Low | 85 Ų | 85 | 143.7 Ų | 143.7 | 55% | 0.552 | 76% | 0.76 | S | S | * | * | | | trans | -69.5 | 108.4 | 172.3 | 29.1 | -33.4 | 0 | 0 | 0 | 108.2 | V175 Y179 | V175-P177 WeakPolarHBondContact O-CD 3.3Å; P177-Y179 HydrophobicContact CB-CD1 3.83Å; P177-Y179 HydrophobicContact CB-CE1 3.71Å; P177-Y179 HydrophobicContact CG-CD1 4.37Å; P177-Y179 HydrophobicContact CG-CE1 3.75Å; P177-Y179 PolarHBondContact O-N 2.67Å |
| 178 | T | 53.5 | Low | 53.6 | Low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -89.3 | 91.2 | 173.9 | -49.4 | 0 | 0 | 0 | 0 | 107.4 | I176 | I176-T178 PolarHBondContact O-N 2.93Š|
| 179 | Y | 46.2 | Very low | 52.7 | Low | 187 Ų | 187 | 140.1 Ų | 140.1 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | -108.5 | 94.4 | 169.8 | 41.4 | -96 | 0 | 0 | 0 | 109.6 | P177 | P177-Y179 HydrophobicContact CB-CD1 3.83Å; P177-Y179 HydrophobicContact CB-CE1 3.71Å; P177-Y179 HydrophobicContact CG-CD1 4.37Å; P177-Y179 HydrophobicContact CG-CE1 3.75Å; P177-Y179 PolarHBondContact O-N 2.67Å |
| 180 | K | 49 | Very low | 51.9 | Low | 163 Ų | 163 | 144 Ų | 144 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | | | trans | -164.8 | 126.8 | 169.2 | -74 | -152 | 178.1 | -160.6 | 0 | 106.1 | | |
| 181 | Y | 46.2 | Very low | 50.8 | Low | 190 Ų | 190 | 142.3 Ų | 142.3 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | cis | -149.8 | 146.4 | 12.8 | -95 | -87.5 | 0 | 0 | 0 | 108 | H183 | Y181-H183 PolarHBondContact O-N 2.86Š|
| 182 | A | 45.4 | Very low | 49.6 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 70% | 0.702 | 78% | 0.78 | S | S | * | * | | | trans | -62.5 | 129.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D184 | A182-D184 PolarHBondContact O-N 2.94Š|
| 183 | H | 45.2 | Very low | 48.3 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -90.1 | 86.9 | 164.6 | -108.3 | -81.3 | 0 | 0 | 0 | 107.4 | Y181 L185 | Y181-H183 PolarHBondContact O-N 2.86Å; H183-L185 PolarHBondContact O-N 3.36Å; H183-L185 VanDerWaalsContact O-N 3.15Å |
| 184 | D | 45.1 | Very low | 47 | Very low | 158 Ų | 158 | 140.8 Ų | 140.8 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -77.7 | 92.6 | 163.8 | -76.6 | -29.2 | 0 | 0 | 0 | 108.3 | A182 G186 | A182-D184 PolarHBondContact O-N 2.94Å; D184-G186 PolarHBondContact O-N 2.77Å |
| 185 | L | 48.1 | Very low | 46.1 | Very low | 153 Ų | 153 | 138.7 Ų | 138.7 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | | | trans | -88.5 | 97.9 | 165.2 | -91.6 | 156 | 0 | 0 | 0 | 108.5 | H183 | H183-L185 PolarHBondContact O-N 3.36Å; H183-L185 VanDerWaalsContact O-N 3.15Å |
| 186 | G | 36.6 | Very low | 45.4 | Very low | 78 Ų | 78 | 140.2 Ų | 140.2 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | 43.7 | 98.6 | 143 | 0 | 0 | 0 | 0 | 0 | 117.9 | D184 | D184-G186 PolarHBondContact O-N 2.77Š|
| 187 | S | 44.9 | Very low | 44.6 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | | | trans | -131.4 | 124.7 | 144.9 | -158.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 188 | S | 42.7 | Very low | 44.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 129.2 | -174.9 | 128.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 189 | A | 43.4 | Very low | 44 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | | | trans | -143.3 | 108 | 156.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 190 | K | 41.5 | Very low | 43.7 | Very low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 81% | 0.812 | S | S | * | * | | | trans | -64.3 | 133.9 | 163.6 | -90.9 | 174.8 | 166.2 | 178.3 | 0 | 110.2 | | |
| 191 | L | 47.5 | Very low | 43.5 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | | | trans | -170.8 | 99.9 | 144.3 | -112.8 | 128.6 | 0 | 0 | 0 | 106.6 | | |
| 192 | Q | 40.5 | Very low | 43.3 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | | | | 105.6 | 123.1 | 81.1 | -155.5 | 166.2 | 28.4 | 0 | 0 | 109.1 | | |
| 193 | V | 39.2 | Very low | 43 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | | | trans | -84.6 | 130.8 | -177.2 | 172.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 194 | A | 41.6 | Very low | 42.9 | Very low | 91 Ų | 91 | 140 Ų | 140 | 75% | 0.752 | 82% | 0.823 | S | S | * | * | | | trans | -166.9 | 102.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 195 | D | 44.5 | Very low | 42.9 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | | 79.5 | 141.3 | 82.4 | -151.2 | 15.2 | 0 | 0 | 0 | 113.3 | | |
| 196 | D | 43.9 | Very low | 42.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | | | trans | -51.9 | 146.7 | -162.3 | -76.8 | -40.7 | 0 | 0 | 0 | 116.9 | | |
| 197 | G | 39.9 | Very low | 42.9 | Very low | 75 Ų | 75 | 138.7 Ų | 138.7 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | | | trans | 177.8 | 79.7 | 170 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q199 | G197-Q199 PolarHBondContact O-N 2.98Š|
| 198 | V | 44.9 | Very low | 42.6 | Very low | 149 Ų | 149 | 140.2 Ų | 140.2 | 90% | 0.903 | 81% | 0.814 | S | S | * | * | | | trans | -63.6 | 111.4 | 165.6 | -120.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 199 | Q | 47.2 | Very low | 42.7 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | | | trans | -144.7 | 118.6 | 153.5 | -70.9 | -166.7 | 7.8 | 0 | 0 | 110.1 | G197 | G197-Q199 PolarHBondContact O-N 2.98Š|
| 200 | S | 39.7 | Very low | 42.7 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -58.8 | 130.2 | 164.7 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 201 | L | 45.8 | Very low | 42.6 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | | | trans | -158.5 | 114.7 | 152.4 | -139.4 | 80.3 | 0 | 0 | 0 | 110.8 | | |
| 202 | E | 41.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | trans | 39.4 | 129.5 | 142.2 | -65.8 | 177.3 | 145.3 | 0 | 0 | 121.9 | | |
| 203 | M | 39.6 | Very low | 43.2 | Very low | 167 Ų | 167 | 138 Ų | 138 | 82% | 0.823 | 81% | 0.814 | S | S | * | * | | | trans | -71.3 | 150.3 | 168.6 | -78.6 | -141.7 | 59.3 | 0 | 0 | 113.9 | | |
| 204 | P | 42.3 | Very low | 43.8 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | | | | -136.1 | 127.9 | 123.4 | 31.6 | -16.3 | 0 | 0 | 0 | 111.1 | | |
| 205 | V | 45.6 | Very low | 44.7 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 65% | 0.648 | 82% | 0.818 | S | S | * | * | | | | 57.7 | 122.6 | 92.4 | -176.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 206 | D | 39.9 | Very low | 45.5 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | 78.9 | 92.8 | 167.8 | -57.3 | -25.7 | 0 | 0 | 0 | 119.5 | | |
| 207 | A | 43.8 | Very low | 46.8 | Very low | 100 Ų | 100 | 138.7 Ų | 138.7 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -162.9 | 86.8 | 138.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q209 | A207-Q209 PolarHBondContact O-N 3.17Å; A207-Q209 VanDerWaalsContact O-N 3.11Å |
| 208 | D | 38.5 | Very low | 48.6 | Very low | 159 Ų | 159 | 142.4 Ų | 142.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | | | trans | -61.1 | 104.3 | 158.7 | -87.5 | -29.2 | 0 | 0 | 0 | 108.9 | | |
| 209 | Q | 45.7 | Very low | 50.1 | Low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 78% | 0.777 | S | S | * | * | | | trans | -168 | 65.8 | 153.4 | -109.2 | 173.3 | 81.3 | 0 | 0 | 108.5 | A207 T211 | A207-Q209 PolarHBondContact O-N 3.17Å; A207-Q209 VanDerWaalsContact O-N 3.11Å; Q209-T211 PolarHBondContact O-N 2.86Å |
| 210 | S | 42.3 | Very low | 51.5 | Low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -74.3 | 105.2 | 161.6 | 33.9 | 0 | 0 | 0 | 0 | 107.8 | A212 | S210-A212 PolarHBondContact O-N 3.3Š|
| 211 | T | 41.2 | Very low | 53.3 | Low | 143 Ų | 143 | 134.2 Ų | 134.2 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | -58.6 | 73.7 | 168.9 | -29.8 | 0 | 0 | 0 | 0 | 109.6 | Q209 L213 | Q209-T211 PolarHBondContact O-N 2.86Å; T211-L213 PolarHBondContact O-N 2.83Å |
| 212 | A | 47.6 | Very low | 55 | Low | 81 Ų | 81 | 132.2 Ų | 132.2 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | -73.9 | 116.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.8 | S210 Q214 | S210-A212 PolarHBondContact O-N 3.3Å; A212-Q214 VanDerWaalsContact C-N 3.31Å; A212-Q214 PolarHBondContact O-N 2.99Å |
| 213 | L | 51.6 | Low | 56.7 | Low | 177 Ų | 177 | 127.1 Ų | 127.1 | 93% | 0.927 | 71% | 0.713 | S | S | * | * | | | trans | -43 | 96.8 | 168 | -71 | 163.8 | 0 | 0 | 0 | 109.1 | T211 Q215 | T211-L213 PolarHBondContact O-N 2.83Å; L213-Q215 PolarHBondContact O-N 3.08Å; L213-Q215 VanDerWaalsContact O-N 3.08Å |
| 214 | Q | 52.4 | Low | 58.5 | Low | 190 Ų | 190 | 124.3 Ų | 124.3 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | | | trans | -64 | 114.8 | -178.9 | -119.7 | 175.1 | -5.7 | 0 | 0 | 106.5 | A212 | A212-Q214 VanDerWaalsContact C-N 3.31Å; A212-Q214 PolarHBondContact O-N 2.99Å |
| 215 | Q | 60 | Low | 60.3 | Low | 173 Ų | 173 | 122.9 Ų | 122.9 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | | | trans | -50.5 | 137.2 | 164.7 | -75.5 | -178.1 | -40.6 | 0 | 0 | 107.8 | L213 N217 | L213-Q215 PolarHBondContact O-N 3.08Å; L213-Q215 VanDerWaalsContact O-N 3.08Å; Q215-N217 PolarHBondContact O-N 2.71Å |
| 216 | P | 62.7 | Low | 61.7 | Low | 102 Ų | 102 | 120 Ų | 120 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | | | trans | -58.1 | 111.5 | 177.9 | 23.3 | -31.4 | 0 | 0 | 0 | 108.1 | F218 | P216-F218 WeakPolarHBondContact O-CD2 3.47Å; P216-F218 PolarHBondContact O-N 2.94Å; P216-F218 VanDerWaalsContact O-N 3.16Å |
| 217 | N | 70.7 | Confident | 63.2 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 48% | 0.481 | 66% | 0.664 | S | S | . | * | | | trans | -72.3 | 107.5 | 177.5 | -170 | 6.2 | 0 | 0 | 0 | 107.5 | Q215 D219 D220 | Q215-N217 PolarHBondContact O-N 2.71Å; N217-D219 PolarHBondContact O-N 2.61Å; N217-D219 VanDerWaalsContact O-N 3.15Å; N217-D219 WeakPolarHBondContact OD1-CB 3.14Å; N217-D219 PolarHBondContact OD1-N 2.88Å; N217-D220 PolarHBondContact O-N 3.41Å; N217-D220 VanDerWaalsContact O-N 3.14Å |
| 218 | F | 76.9 | Confident | 64.6 | Low | 153 Ų | 153 | 121.6 Ų | 121.6 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -65.1 | -14 | 179.7 | -70.8 | -85.7 | 0 | 0 | 0 | 112.4 | P216 D220 L221 | P216-F218 WeakPolarHBondContact O-CD2 3.47Å; P216-F218 PolarHBondContact O-N 2.94Å; P216-F218 VanDerWaalsContact O-N 3.16Å; F218-D220 PolarHBondContact O-N 3.46Å; F218-L221 HydrophobicContact CD1-CD1 3.75Å; F218-L221 WeakPolarHBondContact O-CB 3.43Å; F218-L221 PolarHBondContact O-N 3.42Å |
| 219 | D | 77.6 | Confident | 66 | Low | 121 Ų | 121 | 119.8 Ų | 119.8 | 65% | 0.647 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -64.7 | -26 | 173.4 | -70.5 | -23.3 | 0 | 0 | 0 | 112.5 | N217 L221 C222 | N217-D219 PolarHBondContact O-N 2.61Å; N217-D219 VanDerWaalsContact O-N 3.15Å; N217-D219 WeakPolarHBondContact OD1-CB 3.14Å; N217-D219 PolarHBondContact OD1-N 2.88Å; D219-L221 PolarHBondContact O-N 3.12Å; D219-C222 PolarHBondContact O-N 3.3Å |
| 220 | D | 76.1 | Confident | 66.7 | Low | 78 Ų | 78 | 118.5 Ų | 118.5 | 42% | 0.417 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -69.6 | -20 | 177.5 | -73.3 | -29.8 | 0 | 0 | 0 | 112.5 | N217 F218 C222 N223 F226 | N217-D220 PolarHBondContact O-N 3.41Å; N217-D220 VanDerWaalsContact O-N 3.14Å; F218-D220 PolarHBondContact O-N 3.46Å; D220-C222 PolarHBondContact O-N 2.83Å; D220-N223 WeakPolarHBondContact O-CB 3.48Å; D220-N223 PolarHBondContact O-N 3.34Å; D220-N223 VanDerWaalsContact O-N 3.08Å; D220-F226 HydrophobicContact CB-CD2 3.77Å; D220-F226 HydrophobicContact CB-CE2 3.89Å; D220-F226 WeakPolarHBondContact O-CB 3.49Å; D220-F226 VanDerWaalsContact O-CD2 3.24Å; D220-F226 WeakPolarHBondContact O-CD2 3.11Å; D220-F226 WeakPolarHBondContact O-CG 3.4Å |
| 221 | L | 77.5 | Confident | 67.4 | Low | 86 Ų | 86 | 116.1 Ų | 116.1 | 45% | 0.45 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -68 | -19.3 | 175.7 | -65.1 | 173.7 | 0 | 0 | 0 | 113.1 | F218 D219 F226 | F218-L221 HydrophobicContact CD1-CD1 3.75Å; F218-L221 WeakPolarHBondContact O-CB 3.43Å; F218-L221 PolarHBondContact O-N 3.42Å; D219-L221 PolarHBondContact O-N 3.12Å; L221-F226 HydrophobicContact CD2-CD1 4.17Å; L221-F226 HydrophobicContact CD2-CE1 3.6Å; L221-F226 HydrophobicContact CD2-CE2 4.34Å; L221-F226 HydrophobicContact CD2-CZ 3.69Å |
| 222 | C | 80.3 | Confident | 67.4 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -90.2 | -6.3 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 112.5 | D219 D220 P224 | D219-C222 PolarHBondContact O-N 3.3Å; D220-C222 PolarHBondContact O-N 2.83Å; C222-P224 WeakPolarHBondContact O-CD 3.14Å |
| 223 | N | 78.2 | Confident | 67.3 | Low | 66 Ų | 66 | 114 Ų | 114 | 35% | 0.353 | 63% | 0.626 | S | S | . | * | | | trans | -78 | 117.8 | 173.3 | -171.1 | -14.6 | 0 | 0 | 0 | 108.9 | D220 N225 F226 | D220-N223 WeakPolarHBondContact O-CB 3.48Å; D220-N223 PolarHBondContact O-N 3.34Å; D220-N223 VanDerWaalsContact O-N 3.08Å; N223-N225 PolarHBondContact O-N 3.22Å; N223-N225 WeakPolarHBondContact OD1-CB 3.44Å; N223-N225 PolarHBondContact OD1-N 3.36Å; N223-F226 WeakPolarHBondContact O-CB 3.25Å; N223-F226 PolarHBondContact O-N 3.25Å |
| 224 | P | 77.7 | Confident | 66.9 | Low | 108 Ų | 108 | 110.2 Ų | 110.2 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -22.2 | 178.2 | 24.1 | -33.8 | 0 | 0 | 0 | 112.7 | C222 F226 | C222-P224 WeakPolarHBondContact O-CD 3.14Å; P224-F226 VanDerWaalsContact C-N 3.32Å |
| 225 | N | 80.2 | Confident | 66.9 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.3 | -4.1 | 176.3 | -62.6 | -28.1 | 0 | 0 | 0 | 113.8 | N223 Y227 L228 N229 | N223-N225 PolarHBondContact O-N 3.22Å; N223-N225 WeakPolarHBondContact OD1-CB 3.44Å; N223-N225 PolarHBondContact OD1-N 3.36Å; N225-Y227 VanDerWaalsContact C-N 3.28Å; N225-Y227 PolarHBondContact O-N 3.07Å; N225-L228 PolarHBondContact O-N 2.8Å; N225-N229 PolarHBondContact O-N 2.8Å |
| 226 | F | 74 | Confident | 66.1 | Low | 48 Ų | 48 | 109.8 Ų | 109.8 | 21% | 0.211 | 62% | 0.619 | C | S | . | * | H | α-helix | trans | -51.9 | -50.2 | 179.2 | -175.8 | -102 | 0 | 0 | 0 | 110.8 | D220 L221 N223 P224 L228 N229 F230 | D220-F226 HydrophobicContact CB-CD2 3.77Å; D220-F226 HydrophobicContact CB-CE2 3.89Å; D220-F226 WeakPolarHBondContact O-CB 3.49Å; D220-F226 VanDerWaalsContact O-CD2 3.24Å; D220-F226 WeakPolarHBondContact O-CD2 3.11Å; D220-F226 WeakPolarHBondContact O-CG 3.4Å; L221-F226 HydrophobicContact CD2-CD1 4.17Å; L221-F226 HydrophobicContact CD2-CE1 3.6Å; L221-F226 HydrophobicContact CD2-CE2 4.34Å; L221-F226 HydrophobicContact CD2-CZ 3.69Å; N223-F226 WeakPolarHBondContact O-CB 3.25Å; N223-F226 PolarHBondContact O-N 3.25Å; P224-F226 VanDerWaalsContact C-N 3.32Å; F226-L228 VanDerWaalsContact C-N 3.3Å; F226-L228 PolarHBondContact O-N 3.23Å; F226-N229 PolarHBondContact O-N 3.06Å; F226-F230 HydrophobicContact CD1-CD2 4.15Å; F226-F230 AromaticContact CD1-CE2 3.79Å; F226-F230 HydrophobicContact CD1-CE2 3.79Å; F226-F230 AromaticContact CD2-CE2 3.88Å; F226-F230 HydrophobicContact CD2-CE2 3.88Å; F226-F230 HydrophobicContact CE1-CD2 4.02Å; F226-F230 AromaticContact CE1-CE2 3.39Å; F226-F230 HydrophobicContact CE1-CE2 3.39Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.52Å; F226-F230 HydrophobicContact CE2-CE2 3.52Å; F226-F230 HydrophobicContact CE2-CZ 4.01Å; F226-F230 HydrophobicContact CG-CE2 4.02Å; F226-F230 HydrophobicContact CZ-CD2 4.31Å; F226-F230 AromaticContact CZ-CE2 3.27Å; F226-F230 HydrophobicContact CZ-CE2 3.27Å; F226-F230 AromaticContact CZ-CZ 3.71Å; F226-F230 HydrophobicContact CZ-CZ 3.71Å; F226-F230 WeakPolarHBondContact O-CD2 3.42Å |
| 227 | Y | 71.9 | Confident | 65.1 | Low | 168 Ų | 168 | 110 Ų | 110 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.6 | -19.8 | -179.9 | -61.8 | -75.2 | 0 | 0 | 0 | 114.3 | N225 | N225-Y227 VanDerWaalsContact C-N 3.28Å; N225-Y227 PolarHBondContact O-N 3.07Å |
| 228 | L | 73.4 | Confident | 63.9 | Low | 121 Ų | 121 | 113.4 Ų | 113.4 | 63% | 0.634 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -76.3 | -30.4 | 176.4 | -65.6 | 175.3 | 0 | 0 | 0 | 111.3 | N225 F226 | N225-L228 PolarHBondContact O-N 2.8Å; F226-L228 VanDerWaalsContact C-N 3.3Å; F226-L228 PolarHBondContact O-N 3.23Å |
| 229 | N | 68.7 | Low | 62.2 | Low | 120 Ų | 120 | 113.2 Ų | 113.2 | 64% | 0.642 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -79.6 | -22.7 | -179.9 | -66.3 | -20.3 | 0 | 0 | 0 | 113.3 | N225 F226 G231 | N225-N229 PolarHBondContact O-N 2.8Å; F226-N229 PolarHBondContact O-N 3.06Å; N229-G231 PolarHBondContact O-N 3.11Å |
| 230 | F | 60.5 | Low | 60.5 | Low | 156 Ų | 156 | 112.1 Ų | 112.1 | 68% | 0.684 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -7.2 | 174.3 | -74.6 | -77.8 | 0 | 0 | 0 | 114.1 | F226 | F226-F230 HydrophobicContact CD1-CD2 4.15Å; F226-F230 AromaticContact CD1-CE2 3.79Å; F226-F230 HydrophobicContact CD1-CE2 3.79Å; F226-F230 AromaticContact CD2-CE2 3.88Å; F226-F230 HydrophobicContact CD2-CE2 3.88Å; F226-F230 HydrophobicContact CE1-CD2 4.02Å; F226-F230 AromaticContact CE1-CE2 3.39Å; F226-F230 HydrophobicContact CE1-CE2 3.39Å; F226-F230 HydrophobicContact CE1-CZ 4.19Å; F226-F230 AromaticContact CE2-CE2 3.52Å; F226-F230 HydrophobicContact CE2-CE2 3.52Å; F226-F230 HydrophobicContact CE2-CZ 4.01Å; F226-F230 HydrophobicContact CG-CE2 4.02Å; F226-F230 HydrophobicContact CZ-CD2 4.31Å; F226-F230 AromaticContact CZ-CE2 3.27Å; F226-F230 HydrophobicContact CZ-CE2 3.27Å; F226-F230 AromaticContact CZ-CZ 3.71Å; F226-F230 HydrophobicContact CZ-CZ 3.71Å; F226-F230 WeakPolarHBondContact O-CD2 3.42Å |
| 231 | G | 56 | Low | 59.1 | Low | 64 Ų | 64 | 112.8 Ų | 112.8 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | 3.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | N229 | N229-G231 PolarHBondContact O-N 3.11Š|
| 232 | G | 42.4 | Very low | 57.4 | Low | 63 Ų | 63 | 116.5 Ų | 116.5 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | | | trans | -113.7 | 46.2 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 233 | S | 44.8 | Very low | 55.5 | Low | 116 Ų | 116 | 116.9 Ų | 116.9 | 81% | 0.811 | 66% | 0.664 | S | S | * | * | | | trans | -124.4 | 60.8 | 152 | 75.9 | 0 | 0 | 0 | 0 | 108.8 | E235 | S233-E235 PolarHBondContact O-N 3.05Å; S233-E235 VanDerWaalsContact O-N 3.1Å |
| 234 | A | 43.9 | Very low | 53.7 | Low | 98 Ų | 98 | 121 Ų | 121 | 81% | 0.81 | 68% | 0.682 | S | S | * | * | | | trans | -79.6 | 67.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 235 | E | 50.5 | Low | 52 | Low | 181 Ų | 181 | 125.8 Ų | 125.8 | 85% | 0.846 | 69% | 0.691 | S | S | * | * | | | trans | -136.7 | 75.1 | 160.8 | -77.8 | -166.2 | 168.6 | 0 | 0 | 106.3 | S233 | S233-E235 PolarHBondContact O-N 3.05Å; S233-E235 VanDerWaalsContact O-N 3.1Å |
| 236 | E | 44.5 | Very low | 50.2 | Low | 173 Ų | 173 | 127.7 Ų | 127.7 | 81% | 0.808 | 71% | 0.711 | S | S | * | * | | | trans | 171.6 | 113.3 | 148 | -81.9 | -124.7 | 149.1 | 0 | 0 | 107.2 | I238 | E236-I238 PolarHBondContact O-N 3.04Š|
| 237 | P | 42.4 | Very low | 48.9 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -67.5 | 116.9 | 163 | 28.5 | -28.6 | 0 | 0 | 0 | 106.7 | L239 | P237-L239 HydrophobicContact CB-CD1 4.41Å; P237-L239 HydrophobicContact CG-CD1 4.48Å; P237-L239 PolarHBondContact O-N 3.21Å |
| 238 | I | 44.8 | Very low | 47.8 | Very low | 162 Ų | 162 | 129 Ų | 129 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -69.6 | 77.4 | 167.7 | -44.6 | 173.9 | 0 | 0 | 0 | 107.3 | E236 S240 | E236-I238 PolarHBondContact O-N 3.04Å; I238-S240 PolarHBondContact O-N 3.14Å |
| 239 | L | 40.5 | Very low | 46.3 | Very low | 149 Ų | 149 | 128.2 Ų | 128.2 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -81.6 | 70.8 | 165.6 | -112.3 | 146.9 | 0 | 0 | 0 | 106.5 | P237 T241 | P237-L239 HydrophobicContact CB-CD1 4.41Å; P237-L239 HydrophobicContact CG-CD1 4.48Å; P237-L239 PolarHBondContact O-N 3.21Å; L239-T241 PolarHBondContact O-N 2.82Å |
| 240 | S | 43.1 | Very low | 45.2 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | trans | -82.2 | 82.6 | 168.6 | -156.6 | 0 | 0 | 0 | 0 | 108.8 | I238 | I238-S240 PolarHBondContact O-N 3.14Š|
| 241 | T | 45.7 | Very low | 44.5 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 56% | 0.564 | 76% | 0.758 | S | S | * | * | | | trans | 38.1 | 110.3 | 130.4 | 55.7 | 0 | 0 | 0 | 0 | 118.7 | L239 | L239-T241 PolarHBondContact O-N 2.82Š|
| 242 | H | 42.8 | Very low | 43.9 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | | | | 58.7 | 116.4 | 129.9 | -55 | -72.6 | 0 | 0 | 0 | 116.9 | | |
| 243 | T | 38.8 | Very low | 44.1 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | | | | -160.5 | 114.3 | 80.6 | -61.1 | 0 | 0 | 0 | 0 | 110 | | |
| 244 | E | 41.4 | Very low | 44.2 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | 36.1 | 113.7 | 135.7 | -52.4 | 173.6 | -166.2 | 0 | 0 | 118.4 | | |
| 245 | F | 42.1 | Very low | 44.7 | Very low | 207 Ų | 207 | 142.2 Ų | 142.2 | 91% | 0.908 | 77% | 0.774 | S | S | * | * | | | | -174.3 | 90 | 121 | -103.6 | -73.9 | 0 | 0 | 0 | 109.2 | | |
| 246 | S | 42.2 | Very low | 44.2 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -83.3 | 107.2 | 165.4 | 47.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 247 | A | 45.9 | Very low | 44.3 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | | | trans | -173.2 | 99.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 248 | I | 49.2 | Very low | 44.4 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | | 34 | 140.5 | 118.7 | -53.1 | 172.3 | 0 | 0 | 0 | 116.7 | | |
| 249 | P | 42.9 | Very low | 44.5 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | cis | -137.5 | -177.7 | -30.3 | 38.2 | -18.4 | 0 | 0 | 0 | 112.4 | S251 | P249-S251 PolarHBondContact O-N 3.15Š|
| 250 | R | 45.7 | Very low | 45.1 | Very low | 244 Ų | 244 | 137.1 Ų | 137.1 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | | | trans | -2.4 | 107.8 | 149.3 | -68.5 | 173.5 | 164.6 | -175.7 | -4.7 | 117 | | |
| 251 | S | 44.2 | Very low | 45.1 | Very low | 100 Ų | 100 | 141.9 Ų | 141.9 | 70% | 0.699 | 79% | 0.794 | S | S | * | * | | | trans | -175.6 | 125.5 | 135.2 | 55 | 0 | 0 | 0 | 0 | 111.8 | P249 | P249-S251 PolarHBondContact O-N 3.15Š|
| 252 | W | 43.7 | Very low | 45.3 | Very low | 237 Ų | 237 | 144 Ų | 144 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | 69 | 113.3 | 134.2 | -70.3 | 28.9 | 0 | 0 | 0 | 119.2 | | |
| 253 | S | 47.5 | Very low | 45.4 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | | 65.1 | 128.9 | 117.8 | -51.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 254 | A | 46.8 | Very low | 45.7 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 150.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 255 | P | 53.2 | Low | 45.9 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 128.9 | 179.3 | 31.6 | -31.8 | 0 | 0 | 0 | 111.8 | | |
| 256 | A | 40.4 | Very low | 46.1 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 125.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 257 | A | 46 | Very low | 46.3 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 133.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 258 | V | 46.5 | Very low | 46.4 | Very low | 137 Ų | 137 | 141.6 Ų | 141.6 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 145.7 | -168.9 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 259 | F | 45.9 | Very low | 46.1 | Very low | 196 Ų | 196 | 139.6 Ų | 139.6 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 156.6 | 172.7 | -70.6 | -92.8 | 0 | 0 | 0 | 114 | | |
| 260 | P | 54 | Low | 46.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 154.3 | 161.1 | 34.6 | -28.1 | 0 | 0 | 0 | 113.4 | | |
| 261 | K | 41.6 | Very low | 46.3 | Very low | 199 Ų | 199 | 138.6 Ų | 138.6 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 149.5 | -170.4 | -64.4 | 157.3 | 169.8 | 170.4 | 0 | 115 | | |
| 262 | T | 51 | Low | 46.4 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -152 | 102.3 | 136 | 40.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 263 | T | 44.9 | Very low | 46.3 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | | 83.5 | 126.7 | 96.7 | -25.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 264 | K | 43.8 | Very low | 46.2 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 88.9 | 107.6 | 161.5 | -57.1 | -168.8 | 177.7 | 176 | 0 | 115.7 | | |
| 265 | A | 46.5 | Very low | 46.4 | Very low | 92 Ų | 92 | 134.9 Ų | 134.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | | 110.3 | 135 | 82.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 266 | T | 46.7 | Very low | 46 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | cis | -178.9 | 141.9 | 19.6 | -91.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 267 | L | 45.6 | Very low | 46.2 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | | | trans | 61.2 | 115.3 | 154.2 | -64.5 | 163.9 | 0 | 0 | 0 | 120.3 | | |
| 268 | L | 47.7 | Very low | 46.1 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 62.2 | 134.8 | 91 | -68.2 | -178.4 | 0 | 0 | 0 | 112.8 | | |
| 269 | N | 44.4 | Very low | 45.9 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -172.1 | 149.2 | 25.9 | -140.3 | 1.1 | 0 | 0 | 0 | 110.2 | | |
| 270 | N | 45.1 | Very low | 45.9 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | 59.9 | 98.9 | 142.2 | -59.8 | -17.5 | 0 | 0 | 0 | 123.8 | | |
| 271 | Q | 45.9 | Very low | 45.5 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | | | | 41.8 | 154.3 | 116.2 | -92 | -135 | -36.2 | 0 | 0 | 125.1 | | |
| 272 | P | 47.6 | Very low | 45.9 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 62% | 0.623 | 76% | 0.755 | S | S | * | * | | | trans | -123.6 | 169.9 | -148.9 | 43.1 | -28.7 | 0 | 0 | 0 | 115.1 | | |
| 273 | T | 42.3 | Very low | 45.5 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 75% | 0.754 | S | S | * | * | | | trans | -163.7 | 116.5 | 144.2 | 5.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 274 | S | 44.5 | Very low | 45.7 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | 62.2 | 154.4 | 138.3 | 58.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 275 | P | 51.3 | Low | 46 | Very low | 119 Ų | 119 | 132 Ų | 132 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -121.1 | 174 | -140.8 | 42.7 | -30.5 | 0 | 0 | 0 | 115.3 | | |
| 276 | S | 43.8 | Very low | 46.3 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | | | | 175.6 | 131.8 | 127.6 | 47.4 | 0 | 0 | 0 | 0 | 114 | | |
| 277 | Q | 44.3 | Very low | 46.4 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | 69.9 | 135.1 | 137 | -69.6 | -157.4 | 25 | 0 | 0 | 123.5 | | |
| 278 | Q | 44.1 | Very low | 46.5 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | 75.1 | 145.2 | 150.4 | -70.3 | 172.8 | 34.7 | 0 | 0 | 115.6 | | |
| 279 | S | 42.7 | Very low | 46.7 | Very low | 91 Ų | 91 | 141.5 Ų | 141.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | cis | 178.3 | 157.8 | 5.2 | 169.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 280 | M | 45.4 | Very low | 46.8 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | | | trans | 70 | 112.5 | 161.4 | -74.4 | -170.3 | -55.9 | 0 | 0 | 119.2 | | |
| 281 | V | 47.5 | Very low | 46.7 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | | 76.7 | 108.8 | 80.6 | 171.9 | 0 | 0 | 0 | 0 | 113 | | |
| 282 | T | 48.3 | Very low | 46.9 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | | 165 | 136.8 | 116.9 | 30.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 283 | D | 43.6 | Very low | 46.8 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -68.3 | 150.9 | 174.2 | -56.2 | -65.6 | 0 | 0 | 0 | 113.8 | | |
| 284 | F | 49.4 | Very low | 47.1 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 87% | 0.873 | 77% | 0.769 | S | S | * | * | | | trans | -145.4 | 105.6 | 151.8 | -103.3 | -86.4 | 0 | 0 | 0 | 112.8 | | |
| 285 | C | 48.9 | Very low | 47.1 | Very low | 82 Ų | 82 | 151.4 Ų | 151.4 | 55% | 0.554 | 77% | 0.773 | S | S | * | * | | | | 57.5 | 131 | 123 | -88 | 0 | 0 | 0 | 0 | 123.5 | | |
| 286 | K | 52.7 | Low | 47 | Very low | 177 Ų | 177 | 152 Ų | 152 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 77.1 | 140.4 | 131 | -70 | 169.7 | -177.7 | 170.3 | 0 | 115.7 | | |
| 287 | K | 49.2 | Very low | 47.1 | Very low | 187 Ų | 187 | 153.3 Ų | 153.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | cis | -168.7 | 156.9 | 22.9 | -131.7 | 173 | -179.8 | -172.4 | 0 | 109.8 | | |
| 288 | Q | 47.9 | Very low | 47.3 | Very low | 172 Ų | 172 | 153.2 Ų | 153.2 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -50.1 | 156.2 | 175.5 | -68 | 169.3 | -39.2 | 0 | 0 | 118.2 | | |
| 289 | N | 51 | Low | 47.4 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -167.6 | 105.9 | 131.5 | -96.2 | -7.4 | 0 | 0 | 0 | 109 | | |
| 290 | S | 47 | Very low | 47.5 | Very low | 97 Ų | 97 | 155.5 Ų | 155.5 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | | | | 74 | 99.2 | 95.8 | 72.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 291 | Y | 44.3 | Very low | 47.8 | Very low | 211 Ų | 211 | 154.4 Ų | 154.4 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | | 63.4 | 108.3 | 92.1 | -106.4 | -91.7 | 0 | 0 | 0 | 115.6 | | |
| 292 | Y | 49.5 | Very low | 47.9 | Very low | 205 Ų | 205 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | | 171.1 | 130.7 | 118.5 | -103.6 | -78.5 | 0 | 0 | 0 | 111.1 | | |
| 293 | P | 45.8 | Very low | 48.1 | Very low | 110 Ų | 110 | 159.3 Ų | 159.3 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | trans | -107 | 147.8 | 157 | 35.3 | -24.5 | 0 | 0 | 0 | 110.4 | | |
| 294 | Q | 47.7 | Very low | 48.6 | Very low | 186 Ų | 186 | 158.1 Ų | 158.1 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -150 | 128 | 165.7 | -113.6 | 175.3 | 10.3 | 0 | 0 | 111.6 | | |
| 295 | E | 44 | Very low | 48.8 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -73.2 | 151.9 | 173.3 | -61.5 | 174.7 | 144 | 0 | 0 | 111.4 | | |
| 296 | T | 49 | Very low | 49 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -158.4 | 106.7 | 151.6 | 1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 297 | V | 46.9 | Very low | 49.1 | Very low | 131 Ų | 131 | 153 Ų | 153 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | | | | 50.9 | 120.6 | 127.8 | -168.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 298 | L | 48.6 | Very low | 49 | Very low | 157 Ų | 157 | 150 Ų | 150 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -20.5 | 136.6 | 153 | -70 | 140.8 | 0 | 0 | 0 | 118.9 | | |
| 299 | E | 46.1 | Very low | 48.8 | Very low | 189 Ų | 189 | 147.4 Ų | 147.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | | -168.6 | 118.4 | 121.8 | -116.8 | 178.7 | 168.3 | 0 | 0 | 113.7 | | |
| 300 | T | 43.9 | Very low | 48.6 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | | | trans | 8.6 | 113.2 | 141 | -39.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 301 | V | 53.6 | Low | 48.5 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -151.8 | 134.8 | 141.9 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 302 | D | 49.3 | Very low | 48.6 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | -49.7 | 146.3 | -174.7 | -68.2 | -59.7 | 0 | 0 | 0 | 118.4 | | |
| 303 | R | 52.1 | Low | 48.6 | Very low | 201 Ų | 201 | 149.8 Ų | 149.8 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | | | trans | -130.6 | 121.5 | 170.8 | -170.2 | -174.9 | -161.3 | 177.5 | 6.1 | 109.4 | L305 | R303-L305 HydrophobicContact CG-CG 4.2Š|
| 304 | P | 54 | Low | 48.8 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -96.4 | 110.6 | 158.2 | 28.8 | -18.7 | 0 | 0 | 0 | 109.1 | | |
| 305 | L | 52.6 | Low | 48.9 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80 | 137.8 | 166.7 | -78.5 | 165.2 | 0 | 0 | 0 | 109.6 | R303 | R303-L305 HydrophobicContact CG-CG 4.2Š|
| 306 | A | 54.3 | Low | 49.5 | Very low | 90 Ų | 90 | 144.2 Ų | 144.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 152.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | C308 | A306-C308 PolarHBondContact O-N 3.02Š|
| 307 | P | 55.1 | Low | 49.7 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 84% | 0.844 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 123.1 | -177.1 | 30.2 | -31.8 | 0 | 0 | 0 | 111.1 | | |
| 308 | C | 46.5 | Very low | 49.9 | Very low | 123 Ų | 123 | 144.1 Ų | 144.1 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 122.7 | 169 | -151.6 | 0 | 0 | 0 | 0 | 108.9 | A306 R310 | A306-C308 PolarHBondContact O-N 3.02Å; C308-R310 PolarHBondContact O-N 2.87Å |
| 309 | S | 43.5 | Very low | 50 | Low | 119 Ų | 119 | 146 Ų | 146 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -53.1 | 111.7 | 177.1 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 310 | R | 47.3 | Very low | 50 | Low | 241 Ų | 241 | 141.5 Ų | 141.5 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -137.2 | 130.7 | 173.7 | -131.2 | 177.1 | -175.2 | -158.7 | 0.2 | 110.8 | C308 | C308-R310 PolarHBondContact O-N 2.87Š|
| 311 | S | 45.1 | Very low | 50.3 | Low | 75 Ų | 75 | 142.8 Ų | 142.8 | 52% | 0.524 | 77% | 0.772 | S | S | . | * | | | trans | 49.5 | 97.3 | 167.2 | 68.4 | 0 | 0 | 0 | 0 | 120.3 | Q313 D314 | S311-Q313 PolarHBondContact O-N 3.45Å; S311-D314 PolarHBondContact OG-OD2 2.95Å; S311-D314 VanDerWaalsContact OG-OD2 3.05Å |
| 312 | Y | 45.1 | Very low | 50 | Low | 234 Ų | 234 | 142 Ų | 142 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -82.2 | 17.2 | 162 | -135.2 | -93.2 | 0 | 0 | 0 | 113.1 | | |
| 313 | Q | 50 | Low | 49.8 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -112.3 | -16.2 | -173.4 | -80.7 | 172.3 | -20.7 | 0 | 0 | 114.3 | S311 | S311-Q313 PolarHBondContact O-N 3.45Š|
| 314 | D | 50.4 | Low | 49.1 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 58% | 0.578 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -3.7 | 179.5 | -64.5 | -47.5 | 0 | 0 | 0 | 114 | S311 | S311-D314 PolarHBondContact OG-OD2 2.95Å; S311-D314 VanDerWaalsContact OG-OD2 3.05Å |
| 315 | A | 50.6 | Low | 48.5 | Very low | 86 Ų | 86 | 139.6 Ų | 139.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -1.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 316 | Q | 55.6 | Low | 48.3 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -102.4 | -11.6 | 175.7 | -72.4 | -157.3 | 1.7 | 0 | 0 | 114.5 | | |
| 317 | L | 52.3 | Low | 48 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -89.2 | -9.7 | -179.7 | -80.3 | 164.3 | 0 | 0 | 0 | 114.7 | | |
| 318 | N | 52 | Low | 47.2 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -97.3 | 18.2 | 179.5 | -79.9 | -26.6 | 0 | 0 | 0 | 114.9 | | |
| 319 | K | 50.6 | Low | 47.3 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -110.1 | 4.2 | 175.6 | -96.7 | -171.9 | 175.8 | -169.7 | 0 | 115.1 | | |
| 320 | A | 46.6 | Very low | 47.4 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -113 | 11.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 321 | L | 49.5 | Very low | 47.2 | Very low | 149 Ų | 149 | 143.1 Ų | 143.1 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -124.3 | 20.1 | -171.6 | -93.7 | 157.5 | 0 | 0 | 0 | 114.2 | | |
| 322 | T | 48.7 | Very low | 47.1 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -139.7 | 53.8 | -173.3 | -33.1 | 0 | 0 | 0 | 0 | 112 | | |
| 323 | E | 44 | Very low | 47.1 | Very low | 191 Ų | 191 | 143 Ų | 143 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -159.7 | 46.6 | 173.6 | -125.4 | 171.9 | -158.1 | 0 | 0 | 113.2 | | |
| 324 | C | 38.4 | Very low | 46.8 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | | | trans | -152.6 | 68.9 | 168.1 | -94.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 325 | A | 39.8 | Very low | 46.6 | Very low | 106 Ų | 106 | 145 Ų | 145 | 88% | 0.876 | 78% | 0.783 | S | S | * | * | | | trans | -154.5 | 75.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 326 | A | 49.7 | Very low | 46.1 | Very low | 85 Ų | 85 | 145.5 Ų | 145.5 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -177 | 126.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 327 | N | 46.6 | Very low | 45.4 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | cis | -157.5 | 138.2 | 11.5 | -84.7 | -38.8 | 0 | 0 | 0 | 107.2 | | |
| 328 | N | 39.9 | Very low | 45.1 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | -94.2 | 129.6 | 168.3 | -80.3 | -39.6 | 0 | 0 | 0 | 110.1 | | |
| 329 | H | 47.9 | Very low | 44.7 | Very low | 176 Ų | 176 | 139 Ų | 139 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | | | trans | -161.1 | 103.3 | 151.1 | -136.4 | 43.7 | 0 | 0 | 0 | 108.3 | | |
| 330 | F | 44.6 | Very low | 44.9 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | | | | 47.4 | 128.4 | 101 | -89 | -85.4 | 0 | 0 | 0 | 112.5 | | |
| 331 | Q | 43.6 | Very low | 45.1 | Very low | 156 Ų | 156 | 136 Ų | 136 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | | | cis | -174.7 | 122.5 | 32.6 | -156.1 | 167.1 | 50.7 | 0 | 0 | 105.5 | | |
| 332 | E | 42.6 | Very low | 45.1 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | | 63.1 | 128.1 | 103.9 | -123.6 | 178.6 | -178.2 | 0 | 0 | 118.7 | | |
| 333 | F | 46.3 | Very low | 45.1 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | 93.7 | 117.2 | 154.2 | -63.5 | -65.3 | 0 | 0 | 0 | 123.7 | | |
| 334 | T | 43.8 | Very low | 45.5 | Very low | 117 Ų | 117 | 133.7 Ų | 133.7 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | | 97 | 122.2 | 126.8 | 44 | 0 | 0 | 0 | 0 | 123.4 | | |
| 335 | K | 44.6 | Very low | 46 | Very low | 196 Ų | 196 | 132.7 Ų | 132.7 | 85% | 0.852 | 76% | 0.762 | S | S | * | * | | | trans | 78.3 | 102.3 | 135.2 | -88.8 | 177.2 | 172.8 | 175.3 | 0 | 121.2 | | |
| 336 | A | 40.4 | Very low | 46.7 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | | 22.5 | 131.5 | 123.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 337 | S | 42.3 | Very low | 46.5 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | | 175.9 | 138.9 | 114.3 | -167.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 338 | A | 44.7 | Very low | 46.8 | Very low | 85 Ų | 85 | 141.2 Ų | 141.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | | | trans | 66.4 | 96.2 | 146 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 339 | A | 43.4 | Very low | 47.2 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | | 29.4 | 168.3 | 105.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 340 | P | 55.6 | Low | 47.2 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | cis | -138.7 | -161.8 | -39.6 | 36.7 | -17.3 | 0 | 0 | 0 | 112.4 | | |
| 341 | S | 50.1 | Low | 47.1 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | 97.7 | 133.3 | 155.7 | -142 | 0 | 0 | 0 | 0 | 114.3 | | |
| 342 | V | 50.5 | Low | 47.2 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 60% | 0.6 | 76% | 0.758 | S | S | * | * | | | | -177.2 | 132.4 | 55.3 | 161 | 0 | 0 | 0 | 0 | 109.5 | | |
| 343 | Q | 48.6 | Very low | 47.8 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | 62.5 | 148.3 | 142.9 | -66.7 | 167.6 | 0.8 | 0 | 0 | 122.5 | | |
| 344 | H | 52 | Low | 47.9 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 73% | 0.731 | 76% | 0.756 | S | S | * | * | | | cis | -160.6 | 156.3 | 7.3 | -101.8 | -50.6 | 0 | 0 | 0 | 109.5 | | |
| 345 | P | 48.7 | Very low | 48.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -110.2 | 154.2 | 175.8 | 37.9 | -27.2 | 0 | 0 | 0 | 113.8 | | |
| 346 | L | 54.6 | Low | 48.4 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 96% | 0.963 | 75% | 0.752 | S | S | * | * | | | trans | -111.3 | 127.4 | 170.3 | -88.6 | 167.6 | 0 | 0 | 0 | 112 | | |
| 347 | R | 45.9 | Very low | 49.1 | Very low | 190 Ų | 190 | 136 Ų | 136 | 72% | 0.717 | 74% | 0.743 | S | S | * | * | | | trans | -78.4 | 164 | 175.9 | -68.6 | -173.3 | 173.2 | -179.7 | 0.7 | 112.2 | Y349 | R347-Y349 PolarHBondContact NH1-OH 2.92Å; R347-Y349 VanDerWaalsContact NH1-OH 3.14Å |
| 348 | I | 53.5 | Low | 49.3 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | | | | -177.2 | 105.3 | 119.1 | -83.7 | 148.6 | 0 | 0 | 0 | 107 | | |
| 349 | Y | 47.5 | Very low | 49.5 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 66% | 0.655 | 74% | 0.737 | S | S | * | * | | | | 54 | 130.2 | 111.8 | -67.2 | -76.1 | 0 | 0 | 0 | 114.8 | R347 | R347-Y349 PolarHBondContact NH1-OH 2.92Å; R347-Y349 VanDerWaalsContact NH1-OH 3.14Å |
| 350 | Q | 47.5 | Very low | 49.9 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | | -173.9 | 132.3 | 56.4 | -135 | 166.7 | 13.1 | 0 | 0 | 113 | | |
| 351 | R | 42.6 | Very low | 49.3 | Very low | 228 Ų | 228 | 147 Ų | 147 | 86% | 0.86 | 74% | 0.741 | S | S | * | * | | | trans | 67.2 | 112.6 | 138.2 | -76.5 | -179.4 | 171.3 | 173.5 | -4.6 | 123.9 | | |
| 352 | S | 46.6 | Very low | 49.1 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -70.9 | -158.4 | 155.5 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 353 | P | 54.7 | Low | 48.8 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 57% | 0.571 | 76% | 0.755 | S | S | * | * | | | cis | -147.4 | -172.5 | 0.7 | 19.5 | 10.9 | 0 | 0 | 0 | 117 | | |
| 354 | F | 49.3 | Very low | 48.7 | Very low | 176 Ų | 176 | 148.8 Ų | 148.8 | 77% | 0.772 | 76% | 0.757 | S | S | * | * | | | trans | 89.4 | 140 | 153.9 | -60.6 | -65.2 | 0 | 0 | 0 | 117.7 | | |
| 355 | L | 49.9 | Very low | 48.5 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | cis | -164.8 | 139.1 | -5.1 | -93.8 | 155 | 0 | 0 | 0 | 106.7 | | |
| 356 | S | 48.5 | Very low | 48.4 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -82 | 159.5 | 153.8 | -159.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 357 | P | 54 | Low | 48 | Very low | 94 Ų | 94 | 147.1 Ų | 147.1 | 61% | 0.61 | 74% | 0.737 | S | S | * | * | | | | -153.5 | 166.1 | 90.1 | 25.2 | -0.6 | 0 | 0 | 0 | 117.9 | | |
| 358 | E | 47.5 | Very low | 47.9 | Very low | 155 Ų | 155 | 146.3 Ų | 146.3 | 72% | 0.724 | 75% | 0.747 | S | S | * | * | | | trans | 40.4 | 127.1 | 142.1 | -72.4 | 83.3 | -102.4 | 0 | 0 | 121.7 | | |
| 359 | D | 48.2 | Very low | 47.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | | | | 160.6 | 141.7 | 90.5 | -109.1 | -31.4 | 0 | 0 | 0 | 116.3 | | |
| 360 | H | 52 | Low | 47.6 | Very low | 165 Ų | 165 | 148.6 Ų | 148.6 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 91.8 | 114.1 | 150.8 | -52.3 | -29.2 | 0 | 0 | 0 | 123.1 | | |
| 361 | F | 42.5 | Very low | 47.4 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | | | trans | -67.7 | 157 | 165.2 | -76.1 | -103 | 0 | 0 | 0 | 113.8 | | |
| 362 | A | 47.5 | Very low | 47.7 | Very low | 101 Ų | 101 | 145.2 Ų | 145.2 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | | | | -163.9 | 130.2 | 118.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 363 | L | 44.2 | Very low | 47.5 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -65.5 | 144.6 | 168 | -70.4 | 147.2 | 0 | 0 | 0 | 110 | | |
| 364 | D | 45.9 | Very low | 47.3 | Very low | 143 Ų | 143 | 152.1 Ų | 152.1 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -146.9 | 129.5 | 149.1 | -123.1 | -9.6 | 0 | 0 | 0 | 111.7 | | |
| 365 | P | 47.4 | Very low | 47.3 | Very low | 111 Ų | 111 | 152.1 Ų | 152.1 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -98.3 | 120.6 | 176.4 | 35.1 | -24.6 | 0 | 0 | 0 | 110.3 | | |
| 366 | Y | 46.5 | Very low | 47.2 | Very low | 185 Ų | 185 | 150.5 Ų | 150.5 | 73% | 0.725 | 77% | 0.765 | S | S | * | * | | | trans | -134.7 | 145 | 169.6 | -94.1 | -99.6 | 0 | 0 | 0 | 107.3 | | |
| 367 | E | 47.4 | Very low | 47.4 | Very low | 126 Ų | 126 | 152.2 Ų | 152.2 | 59% | 0.589 | 77% | 0.771 | S | S | * | * | | | cis | -172.8 | 110.2 | -15.3 | -127.7 | -175.6 | 179.8 | 0 | 0 | 101.5 | H369 | E367-H369 PolarHBondContact O-N 3.28Å; E367-H369 IonicContact OE1-NE2 3.99Å; E367-H369 IonicContact OE2-CD2 3.83Å |
| 368 | N | 43.2 | Very low | 47.2 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | | | trans | -92.1 | 97.5 | 174.9 | -90.7 | -30.8 | 0 | 0 | 0 | 109 | | |
| 369 | H | 47.9 | Very low | 47 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 62% | 0.616 | 78% | 0.783 | S | S | * | * | | | trans | -116.6 | 100.7 | 168.7 | -74.7 | -56 | 0 | 0 | 0 | 110.1 | E367 | E367-H369 PolarHBondContact O-N 3.28Å; E367-H369 IonicContact OE1-NE2 3.99Å; E367-H369 IonicContact OE2-CD2 3.83Å |
| 370 | Y | 46.6 | Very low | 46.8 | Very low | 237 Ų | 237 | 153 Ų | 153 | 93% | 0.929 | 79% | 0.79 | S | S | * | * | | | trans | -149.6 | 96 | 145.1 | -104.9 | -75.9 | 0 | 0 | 0 | 110.5 | | |
| 371 | T | 42.1 | Very low | 46.5 | Very low | 121 Ų | 121 | 153.5 Ų | 153.5 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | -106.3 | 111.8 | 169.6 | -50.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 372 | K | 49.4 | Very low | 46.5 | Very low | 196 Ų | 196 | 149 Ų | 149 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -156.1 | 102.2 | 151.1 | -73.4 | -160.4 | 179.5 | 176.1 | 0 | 107.5 | | |
| 373 | R | 42.1 | Very low | 46.2 | Very low | 235 Ų | 235 | 148.5 Ų | 148.5 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | | 55.8 | 111.9 | 82 | -86.6 | -165.9 | 176.6 | -164.2 | -0 | 114.5 | | |
| 374 | S | 51.9 | Low | 46.4 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | 145.7 | 100.1 | 130.7 | 61.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 375 | E | 49.7 | Very low | 46.3 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | | | | 85.6 | 124.7 | 85.6 | -85.9 | -177.4 | 174.7 | 0 | 0 | 113.8 | | |
| 376 | T | 46.2 | Very low | 46.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | | | trans | 63.9 | 108.6 | 141.2 | 52.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 377 | T | 52.3 | Low | 46.2 | Very low | 135 Ų | 135 | 144.8 Ų | 144.8 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | | | | 176 | 133.7 | 108.8 | 29.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 378 | P | 49.8 | Very low | 46.3 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | -92.1 | 120.9 | 162.7 | 32.7 | -24.2 | 0 | 0 | 0 | 109.4 | L380 | P378-L380 PolarHBondContact O-N 3.25Š|
| 379 | S | 44.7 | Very low | 46.7 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 108 | 173.9 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 380 | L | 43.5 | Very low | 46.7 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | | | trans | -64.9 | 123.8 | 159.6 | -71.2 | 153.8 | 0 | 0 | 0 | 110 | P378 | P378-L380 PolarHBondContact O-N 3.25Š|
| 381 | L | 45.3 | Very low | 47 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -141.5 | 90.9 | 149.5 | -92 | 170 | 0 | 0 | 0 | 107.8 | | |
| 382 | S | 43.1 | Very low | 47.4 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -113.7 | 135 | 168.5 | -170.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 383 | A | 40.9 | Very low | 47.5 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | | | trans | 50.5 | 115.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 384 | S | 47.8 | Very low | 47.7 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -140.8 | 98.7 | 139.4 | 68.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 385 | D | 44.4 | Very low | 48.1 | Very low | 171 Ų | 171 | 137 Ų | 137 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | | | trans | -60.6 | 134.8 | 155.9 | -71.8 | -48.8 | 0 | 0 | 0 | 109.1 | | |
| 386 | G | 46.5 | Very low | 48.5 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | -161 | 73.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F388 | G386-F388 PolarHBondContact O-N 3.25Š|
| 387 | N | 45.9 | Very low | 49.1 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 88% | 0.882 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 119.4 | 164 | -88.8 | -25.6 | 0 | 0 | 0 | 110 | | |
| 388 | F | 49 | Very low | 48.9 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 118.4 | 158.7 | -101.1 | -84.3 | 0 | 0 | 0 | 110.4 | G386 | G386-F388 PolarHBondContact O-N 3.25Š|
| 389 | I | 51.9 | Low | 48.9 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 73% | 0.728 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 135.1 | 176.6 | -72.7 | 170 | 0 | 0 | 0 | 109.9 | | |
| 390 | T | 48.6 | Very low | 49.1 | Very low | 128 Ų | 128 | 148.7 Ų | 148.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | 6.6 | 125.7 | 152.7 | 62.6 | 0 | 0 | 0 | 0 | 119.7 | | |
| 391 | G | 51.2 | Low | 49.4 | Very low | 74 Ų | 74 | 148.2 Ų | 148.2 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | -143.9 | 88.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 392 | Q | 52.4 | Low | 49.7 | Very low | 163 Ų | 163 | 146.5 Ų | 146.5 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | | | | 49.8 | 113.2 | 103.6 | -91.4 | -146.6 | 1.3 | 0 | 0 | 116.7 | | |
| 393 | Q | 50.8 | Low | 50.1 | Low | 132 Ų | 132 | 149.2 Ų | 149.2 | 62% | 0.617 | 82% | 0.818 | S | S | * | * | | | | 93.1 | 121.3 | 127.4 | -70.5 | -167.3 | 16.3 | 0 | 0 | 121.2 | | |
| 394 | R | 45.4 | Very low | 50.8 | Low | 229 Ų | 229 | 153.4 Ų | 153.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | trans | 76.4 | 106.9 | 134.3 | -84.3 | -179.9 | 168.3 | 174.6 | -2 | 118.1 | | |
| 395 | A | 60.8 | Low | 51 | Low | 85 Ų | 85 | 156 Ų | 156 | 70% | 0.702 | 82% | 0.822 | S | S | * | * | | | | -158.8 | 132.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 396 | T | 59.1 | Low | 51.6 | Low | 136 Ų | 136 | 154.8 Ų | 154.8 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | 65.3 | 91.7 | 148.3 | 60.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 397 | R | 57.4 | Low | 52 | Low | 327 Ų | 327 | 162.9 Ų | 162.9 | 100% | 1.234 | 83% | 0.827 | S | S | * | * | | | | 176.1 | 0 | 94.9 | -106 | -175.4 | 177.1 | -176.2 | -0 | 110.5 | | |