| 1 | M | 37.3 | Very low | 44.8 | Very low | 248 Ų | 248 | 135 Ų | 135 | 100% | 1.222 | 87% | 0.866 | S | S | * | * | | | | 0 | 171 | 0 | -78.3 | 165.3 | 65 | 0 | 0 | 109.1 | | |
| 2 | I | 39.1 | Very low | 44.7 | Very low | 158 Ų | 158 | 131 Ų | 131 | 81% | 0.81 | 85% | 0.854 | S | S | * | * | | | trans | -101.5 | 145.5 | -159.9 | -63 | 159 | 0 | 0 | 0 | 112.2 | | |
| 3 | A | 46 | Very low | 44.6 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 76% | 0.76 | 85% | 0.854 | S | S | * | * | | | trans | 152.9 | 106.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 4 | T | 47.1 | Very low | 44.9 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 86% | 0.86 | S | S | * | * | | | cis | 65.9 | 104.1 | 22.8 | 69.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 5 | G | 40.5 | Very low | 44.5 | Very low | 88 Ų | 88 | 135 Ų | 135 | 91% | 0.907 | 85% | 0.852 | S | S | * | * | | | trans | 109.5 | 147.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 6 | G | 41.9 | Very low | 44.2 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | | | trans | 147.2 | 1.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | I8 | G6-I8 VanDerWaalsContact C-N 3.34Å; G6-I8 PolarHBondContact O-N 3.01Å |
| 7 | V | 46.3 | Very low | 44 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 92% | 0.921 | 86% | 0.855 | S | S | * | * | | | trans | -86 | 63.8 | -173.6 | -164.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 8 | I | 52.5 | Low | 43.3 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | | | trans | -149.9 | 160 | 172.4 | -4 | 175 | 0 | 0 | 0 | 112.2 | G6 | G6-I8 VanDerWaalsContact C-N 3.34Å; G6-I8 PolarHBondContact O-N 3.01Å |
| 9 | T | 49 | Very low | 42.8 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 80% | 0.804 | 85% | 0.845 | S | S | * | * | | | trans | 94.4 | 39.9 | -179.7 | -33.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 10 | G | 46.3 | Very low | 42.4 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 84% | 0.843 | S | S | * | * | | | trans | -97.4 | 6.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 11 | L | 47.4 | Very low | 41.9 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 92% | 0.921 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -126 | 3.5 | -158.3 | -105.9 | 161.2 | 0 | 0 | 0 | 116.5 | | |
| 12 | A | 43 | Very low | 41.6 | Very low | 87 Ų | 87 | 137.4 Ų | 137.4 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -113.1 | -5.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | L14 | A12-L14 PolarHBondContact O-N 3.43Š|
| 13 | A | 43.7 | Very low | 41.3 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 86% | 0.86 | 83% | 0.828 | S | S | * | * | | | trans | -85 | -0.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K15 | A13-K15 PolarHBondContact O-N 3.37Š|
| 14 | L | 48.2 | Very low | 40.6 | Very low | 180 Ų | 180 | 143.3 Ų | 143.3 | 94% | 0.942 | 83% | 0.83 | S | S | * | * | | | trans | -81.3 | 49.4 | -179.4 | -164 | 76.3 | 0 | 0 | 0 | 112.8 | A12 | A12-L14 PolarHBondContact O-N 3.43Š|
| 15 | K | 39.5 | Very low | 40 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 74% | 0.735 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -157.4 | 105.7 | 175.2 | -152.9 | 168.4 | -173.5 | 176.2 | 0 | 113.5 | A13 | A13-K15 PolarHBondContact O-N 3.37Š|
| 16 | R | 39.8 | Very low | 39.5 | Very low | 215 Ų | 215 | 147.2 Ų | 147.2 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | 57.1 | 110.3 | 164.3 | -59 | 176.2 | -179.2 | 176.7 | -3 | 116.4 | | |
| 17 | Q | 40.3 | Very low | 38.7 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | | | trans | -131.4 | 124.7 | 142.5 | -133.3 | 176.7 | -12.7 | 0 | 0 | 108.7 | | |
| 18 | D | 32.1 | Very low | 38.1 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | | | trans | -91.8 | 158.3 | -172.1 | -75.4 | -74.2 | 0 | 0 | 0 | 112.6 | | |
| 19 | S | 34.1 | Very low | 37.1 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | 51.3 | 116.8 | 145.7 | -153.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 20 | A | 34.4 | Very low | 36.5 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | 45.7 | 105.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 21 | R | 30.7 | Very low | 35.6 | Very low | 246 Ų | 246 | 149.7 Ų | 149.7 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | | | trans | -145.2 | 140.3 | 150.2 | -165.2 | 169.5 | -179.2 | 167 | 0.1 | 112.1 | | |
| 22 | S | 32.3 | Very low | 35.3 | Very low | 99 Ų | 99 | 146.8 Ų | 146.8 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | | | trans | 62.5 | 98.7 | 168.7 | -159.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 23 | Q | 32.1 | Very low | 34.6 | Very low | 202 Ų | 202 | 147.5 Ų | 147.5 | 94% | 0.944 | 81% | 0.812 | S | S | * | * | | | | -132.3 | 126.9 | 102.1 | -79 | -151.7 | -12 | 0 | 0 | 109.3 | | |
| 24 | Q | 31.3 | Very low | 34 | Very low | 172 Ų | 172 | 149 Ų | 149 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -137 | 102.7 | -179.1 | -164.4 | 155.3 | -11.8 | 0 | 0 | 107.8 | | |
| 25 | H | 34.1 | Very low | 33.4 | Very low | 193 Ų | 193 | 149.6 Ų | 149.6 | 89% | 0.894 | 81% | 0.808 | S | S | * | * | | | trans | -141.2 | 129.8 | 168.1 | -134.5 | -86.3 | 0 | 0 | 0 | 108.5 | | |
| 26 | V | 30.9 | Very low | 33.1 | Very low | 107 Ų | 107 | 150 Ų | 150 | 65% | 0.648 | 81% | 0.813 | S | S | * | * | | | trans | -117 | 130.8 | -171.4 | 171.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 27 | N | 25.6 | Very low | 32.7 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | | | | -172.9 | 146.1 | 127 | -105.1 | -35.1 | 0 | 0 | 0 | 116.1 | | |
| 28 | L | 33.1 | Very low | 32.6 | Very low | 162 Ų | 162 | 148.4 Ų | 148.4 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | 66.3 | 148.9 | 165 | -82.4 | 73.2 | 0 | 0 | 0 | 120 | | |
| 29 | S | 30.7 | Very low | 32.9 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | | | trans | -133.9 | 165.3 | -178.6 | -140.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 30 | P | 36.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | | -138.5 | 173.4 | 59 | 32.3 | -10.9 | 0 | 0 | 0 | 116.6 | | |
| 31 | S | 28.6 | Very low | 33.6 | Very low | 106 Ų | 106 | 156.9 Ų | 156.9 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | | | trans | -88.3 | -177.8 | 169.7 | -138.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 32 | P | 39.9 | Very low | 34 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | | | cis | -134.7 | 165.1 | -5.6 | 40.9 | -24.8 | 0 | 0 | 0 | 116.1 | | |
| 33 | A | 29.7 | Very low | 34.5 | Very low | 102 Ų | 102 | 162.5 Ų | 162.5 | 84% | 0.843 | 83% | 0.825 | S | S | * | * | | | trans | -160.4 | 128.5 | 151.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 34 | T | 30.8 | Very low | 35 | Very low | 135 Ų | 135 | 159 Ų | 159 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | | | trans | -91.8 | 128.8 | 179.7 | -51.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 35 | Q | 36.1 | Very low | 35.1 | Very low | 193 Ų | 193 | 161.8 Ų | 161.8 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | | | trans | -159.8 | 145.4 | 153.5 | -116.2 | 166.2 | 57.9 | 0 | 0 | 112.6 | | |
| 36 | E | 31.8 | Very low | 35.4 | Very low | 177 Ų | 177 | 156.9 Ų | 156.9 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | | | trans | -79.4 | 129.9 | -165.3 | -60.3 | -172 | 125.1 | 0 | 0 | 114.3 | K38 | E36-K38 PolarHBondContact O-N 3.45Å; E36-K38 VanDerWaalsContact O-N 3.17Å |
| 37 | K | 32.3 | Very low | 35.4 | Very low | 204 Ų | 204 | 158.1 Ų | 158.1 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -82.9 | 89.2 | 168.8 | -70.5 | 179.1 | -179.4 | 173.2 | 0 | 110.4 | P39 | K37-P39 WeakPolarHBondContact O-CD 3.49Š|
| 38 | K | 38.6 | Very low | 36 | Very low | 179 Ų | 179 | 157 Ų | 157 | 78% | 0.778 | 82% | 0.816 | S | S | * | * | | | trans | -50.6 | 119.5 | 167.9 | -71.4 | 178.5 | 178.8 | 174.4 | 0 | 109.6 | E36 I40 | E36-K38 PolarHBondContact O-N 3.45Å; E36-K38 VanDerWaalsContact O-N 3.17Å; K38-I40 PolarHBondContact O-N 3.36Å; K38-I40 VanDerWaalsContact O-N 3.09Å |
| 39 | P | 38.5 | Very low | 36.1 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | | | trans | -70.6 | 110.7 | 179.2 | 27.2 | -32.7 | 0 | 0 | 0 | 109.5 | K37 R41 | K37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-R41 PolarHBondContact O-N 2.96Å; P39-R41 VanDerWaalsContact O-N 3.09Å |
| 40 | I | 43.2 | Very low | 36.5 | Very low | 156 Ų | 156 | 153.6 Ų | 153.6 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -54.3 | 119 | 170.5 | -68 | 171.4 | 0 | 0 | 0 | 107.7 | K38 R42 | K38-I40 PolarHBondContact O-N 3.36Å; K38-I40 VanDerWaalsContact O-N 3.09Å; I40-R42 VanDerWaalsContact C-N 3.35Å; I40-R42 PolarHBondContact O-N 3.07Å |
| 41 | R | 38.3 | Very low | 36.7 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | | | trans | -54.4 | 97.8 | 175.3 | -102.8 | -178.7 | 168.7 | 175.7 | -3.9 | 108.7 | P39 R43 | P39-R41 PolarHBondContact O-N 2.96Å; P39-R41 VanDerWaalsContact O-N 3.09Å; R41-R43 PolarHBondContact O-N 2.96Å |
| 42 | R | 39.8 | Very low | 37.4 | Very low | 238 Ų | 238 | 158.5 Ų | 158.5 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | | | trans | -58.8 | 124.4 | 165.7 | -69.9 | -179.7 | 175.7 | 174 | -1 | 105.8 | I40 | I40-R42 VanDerWaalsContact C-N 3.35Å; I40-R42 PolarHBondContact O-N 3.07Å |
| 43 | R | 42.9 | Very low | 37.9 | Very low | 225 Ų | 225 | 155 Ų | 155 | 85% | 0.849 | 78% | 0.78 | S | S | * | * | | | trans | -49 | 141.4 | 169.5 | -61.6 | -177.7 | -176.9 | -171.6 | -0 | 107.4 | R41 R45 | R41-R43 PolarHBondContact O-N 2.96Å; R43-R45 PolarHBondContact O-N 2.9Å |
| 44 | P | 42.7 | Very low | 38.9 | Very low | 127 Ų | 127 | 159.7 Ų | 159.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | -49.9 | 115.4 | 161 | -21.5 | 32.8 | 0 | 0 | 0 | 106.4 | | |
| 45 | R | 34.4 | Very low | 40.1 | Very low | 232 Ų | 232 | 156.9 Ų | 156.9 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | | | trans | -58.9 | 140.3 | 155.2 | -71.5 | -171.8 | 169.7 | -159.7 | -5 | 104.3 | R43 D47 | R43-R45 PolarHBondContact O-N 2.9Å; R45-D47 PolarHBondContact O-N 3.09Å |
| 46 | A | 38.3 | Very low | 41.3 | Very low | 89 Ų | 89 | 157.3 Ų | 157.3 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | trans | -47.5 | 115.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | V48 | A46-V48 PolarHBondContact O-N 3.45Š|
| 47 | D | 31.4 | Very low | 42.5 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | trans | -61.4 | 113.6 | 175.4 | -172.9 | 1.9 | 0 | 0 | 0 | 103.4 | R45 V49 | R45-D47 PolarHBondContact O-N 3.09Å; D47-V49 HydrophobicContact CB-CG2 3.83Å; D47-V49 PolarHBondContact O-N 3.06Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.37Å |
| 48 | V | 38.1 | Very low | 43.9 | Very low | 118 Ų | 118 | 154.4 Ų | 154.4 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | | | trans | -76 | 72.2 | 168.9 | -174 | 0 | 0 | 0 | 0 | 103.7 | A46 V50 | A46-V48 PolarHBondContact O-N 3.45Å; V48-V50 HydrophobicContact CG1-CG2 4.01Å; V48-V50 PolarHBondContact O-N 3.41Å |
| 49 | V | 35.9 | Very low | 45.6 | Very low | 90 Ų | 90 | 148 Ų | 148 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | | | trans | -59.3 | 90.2 | 160.3 | -167.7 | 0 | 0 | 0 | 0 | 102.8 | D47 V51 | D47-V49 HydrophobicContact CB-CG2 3.83Å; D47-V49 PolarHBondContact O-N 3.06Å; D47-V49 WeakPolarHBondContact OD2-CG2 3.37Å; V49-V51 HydrophobicContact CB-CG2 4.09Å; V49-V51 HydrophobicContact CG1-CG2 3.5Å; V49-V51 VanDerWaalsContact CG1-CG2 3.5Å; V49-V51 PolarHBondContact O-N 3.39Å |
| 50 | V | 39.7 | Very low | 47.5 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 67% | 0.667 | 71% | 0.707 | S | S | * | * | | | trans | -62.7 | 81.2 | 156 | -178.8 | 0 | 0 | 0 | 0 | 103.2 | V48 R52 | V48-V50 HydrophobicContact CG1-CG2 4.01Å; V48-V50 PolarHBondContact O-N 3.41Å; V50-R52 HydrophobicContact CG1-CB 4.44Å; V50-R52 WeakPolarHBondContact O-CA 3.48Å; V50-R52 PolarHBondContact O-N 2.91Å |
| 51 | V | 40.7 | Very low | 49.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 70% | 0.697 | 67% | 0.674 | S | S | * | * | | | trans | -61.9 | 80.4 | 162.9 | 178.7 | 0 | 0 | 0 | 0 | 102.9 | V49 G53 | V49-V51 HydrophobicContact CB-CG2 4.09Å; V49-V51 HydrophobicContact CG1-CG2 3.5Å; V49-V51 VanDerWaalsContact CG1-CG2 3.5Å; V49-V51 PolarHBondContact O-N 3.39Å; V51-G53 VanDerWaalsContact C-N 3.33Å; V51-G53 WeakPolarHBondContact O-CA 3.38Å; V51-G53 PolarHBondContact O-N 3.2Å |
| 52 | R | 43.4 | Very low | 51.6 | Low | 220 Ų | 220 | 128.4 Ų | 128.4 | 83% | 0.83 | 63% | 0.63 | S | S | * | * | | | trans | -54.2 | 100.1 | -161.9 | 171.4 | -176.3 | 173.7 | 170.3 | -0.6 | 106.3 | V50 K54 | V50-R52 HydrophobicContact CG1-CB 4.44Å; V50-R52 WeakPolarHBondContact O-CA 3.48Å; V50-R52 PolarHBondContact O-N 2.91Å; R52-K54 PolarHBondContact O-N 3.46Å |
| 53 | G | 50.2 | Low | 54 | Low | 41 Ų | 41 | 123 Ų | 123 | 42% | 0.423 | 61% | 0.613 | S | S | . | * | | | trans | -55.7 | 104.5 | -152.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | V51 I55 | V51-G53 VanDerWaalsContact C-N 3.33Å; V51-G53 WeakPolarHBondContact O-CA 3.38Å; V51-G53 PolarHBondContact O-N 3.2Å; G53-I55 WeakPolarHBondContact O-CG1 3.42Å; G53-I55 PolarHBondContact O-N 3.42Å |
| 54 | K | 49.2 | Very low | 56.3 | Low | 201 Ų | 201 | 117.4 Ų | 117.4 | 87% | 0.874 | 60% | 0.595 | S | S | * | * | | | trans | -74.1 | 66.2 | 169.3 | -81.1 | -172.7 | 171.5 | -177.9 | 0 | 106.4 | R52 R56 | R52-K54 PolarHBondContact O-N 3.46Å; K54-R56 PolarHBondContact O-N 3.17Å |
| 55 | I | 57 | Low | 58.6 | Low | 76 Ų | 76 | 112.8 Ų | 112.8 | 39% | 0.39 | 56% | 0.563 | S | S | . | * | | | trans | -52 | 115.9 | 170.1 | -18.9 | -179 | 0 | 0 | 0 | 104 | G53 L57 | G53-I55 WeakPolarHBondContact O-CG1 3.42Å; G53-I55 PolarHBondContact O-N 3.42Å; I55-L57 PolarHBondContact O-N 3.39Å |
| 56 | R | 61.1 | Low | 61.4 | Low | 203 Ų | 203 | 105.8 Ų | 105.8 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | | | trans | -73.2 | 85.1 | 179.6 | -72.6 | -178.8 | 167.1 | -159.7 | -4.5 | 106.6 | K54 Y58 S59 | K54-R56 PolarHBondContact O-N 3.17Å; R56-Y58 PolarHBondContact O-N 3.33Å; R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.28Å; R56-S59 PolarHBondContact O-N 2.84Å |
| 57 | L | 57 | Low | 63.9 | Low | 82 Ų | 82 | 104.3 Ų | 104.3 | 43% | 0.429 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.3 | 176.7 | -69 | 169.2 | 0 | 0 | 0 | 111.7 | I55 S59 G62 F63 I66 | I55-L57 PolarHBondContact O-N 3.39Å; L57-S59 VanDerWaalsContact C-N 3.3Å; L57-G62 CarbonylContact O-C 3.59Å; L57-G62 VanDerWaalsContact O-C 3.24Å; L57-G62 WeakPolarHBondContact O-CA 3.32Å; L57-F63 PolarHBondContact O-N 2.89Å; L57-I66 HydrophobicContact CB-CD1 4.38Å |
| 58 | Y | 60.7 | Low | 67 | Low | 237 Ų | 237 | 97.9 Ų | 97.9 | 93% | 0.929 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 10.8 | 167.9 | -63.2 | -79.1 | 0 | 0 | 0 | 114.5 | R56 | R56-Y58 PolarHBondContact O-N 3.33Š|
| 59 | S | 74.4 | Confident | 69.7 | Low | 46 Ų | 46 | 95 Ų | 95 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -74.9 | 150.1 | 162.6 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | R56 L57 S61 G62 F63 | R56-S59 WeakPolarHBondContact O-CA 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.28Å; R56-S59 PolarHBondContact O-N 2.84Å; L57-S59 VanDerWaalsContact C-N 3.3Å; S59-S61 PolarHBondContact O-N 3.29Å; S59-S61 VanDerWaalsContact O-N 3.13Å; S59-G62 WeakPolarHBondContact O-CA 3.31Å; S59-G62 PolarHBondContact O-N 2.85Å; S59-F63 PolarHBondContact O-N 3.41Å |
| 60 | P | 79.9 | Confident | 72.5 | Confident | 97 Ų | 97 | 95.3 Ų | 95.3 | 63% | 0.63 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -51.9 | -38.4 | -179.2 | -30.3 | 36.7 | 0 | 0 | 0 | 114.6 | F63 F64 | P60-F63 WeakPolarHBondContact O-CB 3.22Å; P60-F63 PolarHBondContact O-N 2.91Å; P60-F64 WeakPolarHBondContact O-CD2 3.42Å; P60-F64 PolarHBondContact O-N 3.43Å |
| 61 | S | 80.8 | Confident | 75.1 | Confident | 16 Ų | 16 | 92.1 Ų | 92.1 | 11% | 0.112 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.5 | -30.9 | 174.8 | 50.5 | 0 | 0 | 0 | 0 | 113.8 | S59 L65 | S59-S61 PolarHBondContact O-N 3.29Å; S59-S61 VanDerWaalsContact O-N 3.13Å; S61-L65 PolarHBondContact O-N 3.44Å |
| 62 | G | 86.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -70.4 | -36 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 S59 L65 I66 | L57-G62 CarbonylContact O-C 3.59Å; L57-G62 VanDerWaalsContact O-C 3.24Å; L57-G62 WeakPolarHBondContact O-CA 3.32Å; S59-G62 WeakPolarHBondContact O-CA 3.31Å; S59-G62 PolarHBondContact O-N 2.85Å; G62-L65 PolarHBondContact O-N 3.22Å; G62-I66 WeakPolarHBondContact O-CG1 2.97Å; G62-I66 PolarHBondContact O-N 3.09Å |
| 63 | F | 89.3 | Confident | 80.1 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 54% | 0.544 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 173.2 | 176.8 | -97.2 | 0 | 0 | 0 | 111.9 | L57 S59 P60 L65 I66 L67 | L57-F63 PolarHBondContact O-N 2.89Å; S59-F63 PolarHBondContact O-N 3.41Å; P60-F63 WeakPolarHBondContact O-CB 3.22Å; P60-F63 PolarHBondContact O-N 2.91Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.38Å; F63-I66 PolarHBondContact O-N 3.09Å; F63-L67 HydrophobicContact CE1-CD2 4.26Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 2.89Å |
| 64 | F | 90.9 | Very high | 82 | Confident | 108 Ų | 108 | 83.2 Ų | 83.2 | 47% | 0.474 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 176.2 | -70.1 | -65.5 | 0 | 0 | 0 | 113.3 | P60 L67 G68 A143 | P60-F64 WeakPolarHBondContact O-CD2 3.42Å; P60-F64 PolarHBondContact O-N 3.43Å; F64-L67 HydrophobicContact CD1-CD2 4.45Å; F64-L67 PolarHBondContact O-N 2.86Å; F64-G68 PolarHBondContact O-N 3.24Å; F64-A143 HydrophobicContact CB-CB 3.73Å |
| 65 | L | 91.3 | Very high | 84 | Confident | 29 Ų | 29 | 73.7 Ų | 73.7 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 173.7 | -173.1 | 159.1 | 0 | 0 | 0 | 111.1 | S61 G62 F63 L67 G68 V69 F140 A143 N144 L147 | S61-L65 PolarHBondContact O-N 3.44Å; G62-L65 PolarHBondContact O-N 3.22Å; F63-L65 VanDerWaalsContact C-N 3.29Å; F63-L65 PolarHBondContact O-N 3.38Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.24Å; L65-G68 PolarHBondContact O-N 3.46Å; L65-V69 HydrophobicContact CD2-CG2 4.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.47Å; L65-F140 HydrophobicContact CD1-CE2 4.29Å; L65-F140 HydrophobicContact CD2-CD2 4.26Å; L65-F140 HydrophobicContact CD2-CE2 3.87Å; L65-F140 HydrophobicContact CG-CD2 3.93Å; L65-F140 HydrophobicContact CG-CE2 3.77Å; L65-A143 HydrophobicContact CB-CB 4.2Å; L65-N144 HydrophobicContact CD1-CB 4.46Å; L65-L147 HydrophobicContact CD1-CD2 3.55Å |
| 66 | I | 92.3 | Very high | 85.6 | Confident | 85 Ų | 85 | 73.9 Ų | 73.9 | 44% | 0.436 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.9 | -65.9 | 163.7 | 0 | 0 | 0 | 110.7 | L57 G62 F63 V69 L70 | L57-I66 HydrophobicContact CB-CD1 4.38Å; G62-I66 WeakPolarHBondContact O-CG1 2.97Å; G62-I66 PolarHBondContact O-N 3.09Å; F63-I66 PolarHBondContact O-N 3.09Å; I66-V69 PolarHBondContact O-N 2.79Å; I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.3Å |
| 67 | L | 92.6 | Very high | 87 | Confident | 58 Ų | 58 | 66.5 Ų | 66.5 | 30% | 0.304 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 177.5 | -177.4 | 61.3 | 0 | 0 | 0 | 112.2 | F63 F64 L65 V69 L70 I71 | F63-L67 HydrophobicContact CE1-CD2 4.26Å; F63-L67 WeakPolarHBondContact O-CB 3.44Å; F63-L67 PolarHBondContact O-N 2.89Å; F64-L67 HydrophobicContact CD1-CD2 4.45Å; F64-L67 PolarHBondContact O-N 2.86Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.24Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.14Å; L67-L70 PolarHBondContact O-N 2.93Å; L67-I71 HydrophobicContact CD1-CD1 4.04Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.91Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.15Å; L67-I71 PolarHBondContact O-N 2.86Å |
| 68 | G | 94.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F64 L65 S72 | F64-G68 PolarHBondContact O-N 3.24Å; L65-G68 PolarHBondContact O-N 3.46Å; G68-S72 VanDerWaalsContact O-CB 3.27Å; G68-S72 WeakPolarHBondContact O-CB 3.32Å; G68-S72 PolarHBondContact O-N 3.34Å |
| 69 | V | 94.7 | Very high | 89.7 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 35% | 0.345 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 173 | 172 | 0 | 0 | 0 | 0 | 111.4 | L65 I66 L67 S72 I73 F140 | L65-V69 HydrophobicContact CD2-CG2 4.31Å; L65-V69 WeakPolarHBondContact O-CG2 3.48Å; L65-V69 PolarHBondContact O-N 3.47Å; I66-V69 PolarHBondContact O-N 2.79Å; L67-V69 VanDerWaalsContact C-N 3.35Å; L67-V69 PolarHBondContact O-N 3.14Å; V69-S72 PolarHBondContact O-N 2.85Å; V69-I73 HydrophobicContact CG1-CD1 3.77Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.47Å; V69-I73 PolarHBondContact O-N 2.86Å; V69-F140 HydrophobicContact CG2-CD2 3.62Å; V69-F140 HydrophobicContact CG2-CE2 3.76Å |
| 70 | L | 94.8 | Very high | 90.3 | Very high | 97 Ų | 97 | 55 Ų | 55 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 178.2 | -178.6 | 64.4 | 0 | 0 | 0 | 111.8 | I66 L67 S72 I73 I74 | I66-L70 WeakPolarHBondContact O-CB 3.25Å; I66-L70 PolarHBondContact O-N 3.3Å; L67-L70 PolarHBondContact O-N 2.93Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.36Å; L70-I73 PolarHBondContact O-N 3.11Å; L70-I74 HydrophobicContact CD1-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 4.21Å; L70-I74 WeakPolarHBondContact O-CG1 3.49Å; L70-I74 PolarHBondContact O-N 3.3Å |
| 71 | I | 94 | Very high | 90.4 | Very high | 42 Ų | 42 | 56.4 Ų | 56.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 176.8 | -65.2 | 166.1 | 0 | 0 | 0 | 110.7 | L67 I74 G75 I135 I139 | L67-I71 HydrophobicContact CD1-CD1 4.04Å; L67-I71 HydrophobicContact CD1-CG1 4.34Å; L67-I71 HydrophobicContact CG-CD1 3.91Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.15Å; L67-I71 PolarHBondContact O-N 2.86Å; I71-I74 PolarHBondContact O-N 2.87Å; I71-G75 PolarHBondContact O-N 3.27Å; I71-I135 HydrophobicContact CG2-CG2 3.89Å; I71-I139 HydrophobicContact CD1-CD1 3.89Å |
| 72 | S | 94.7 | Very high | 90.4 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.6 | -173 | 0 | 0 | 0 | 0 | 112.2 | G68 V69 L70 I74 G75 I76 | G68-S72 VanDerWaalsContact O-CB 3.27Å; G68-S72 WeakPolarHBondContact O-CB 3.32Å; G68-S72 PolarHBondContact O-N 3.34Å; V69-S72 PolarHBondContact O-N 2.85Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 3.36Å; S72-I74 PolarHBondContact O-N 2.99Å; S72-G75 PolarHBondContact O-N 3.4Å; S72-I76 WeakPolarHBondContact O-CB 3.48Å; S72-I76 WeakPolarHBondContact O-CD1 3.12Å; S72-I76 VanDerWaalsContact O-CG1 3.25Å; S72-I76 WeakPolarHBondContact O-CG1 3.41Å; S72-I76 PolarHBondContact O-N 3.47Å |
| 73 | I | 94.4 | Very high | 89.9 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 52% | 0.518 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 174.8 | -69.5 | 165.3 | 0 | 0 | 0 | 111 | V69 L70 I76 A77 | V69-I73 HydrophobicContact CG1-CD1 3.77Å; V69-I73 HydrophobicContact CG1-CG1 4.4Å; V69-I73 VanDerWaalsContact O-CG1 3.32Å; V69-I73 WeakPolarHBondContact O-CG1 3.47Å; V69-I73 PolarHBondContact O-N 2.86Å; L70-I73 PolarHBondContact O-N 3.11Å; I73-I76 PolarHBondContact O-N 3.28Å; I73-A77 WeakPolarHBondContact O-CB 3.01Å; I73-A77 PolarHBondContact O-N 3.34Å |
| 74 | I | 90.8 | Very high | 89.5 | Confident | 69 Ų | 69 | 65 Ų | 65 | 35% | 0.354 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.1 | -67.3 | 164.4 | 0 | 0 | 0 | 109.9 | L70 I71 S72 I76 A77 M78 | L70-I74 HydrophobicContact CD1-CD1 4.5Å; L70-I74 HydrophobicContact CG-CD1 4.21Å; L70-I74 WeakPolarHBondContact O-CG1 3.49Å; L70-I74 PolarHBondContact O-N 3.3Å; I71-I74 PolarHBondContact O-N 2.87Å; S72-I74 PolarHBondContact O-N 2.99Å; I74-I76 VanDerWaalsContact C-N 3.31Å; I74-I76 PolarHBondContact O-N 2.77Å; I74-A77 PolarHBondContact O-N 2.98Å; I74-A77 VanDerWaalsContact O-N 3.14Å; I74-M78 HydrophobicContact CG2-CG 4.09Å; I74-M78 WeakPolarHBondContact O-CB 3.29Å; I74-M78 WeakPolarHBondContact O-CG 3.26Å; I74-M78 PolarHBondContact O-N 3.38Å |
| 75 | G | 91.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I71 S72 A79 T132 | I71-G75 PolarHBondContact O-N 3.27Å; S72-G75 PolarHBondContact O-N 3.4Å; G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 2.89Å; G75-T132 VanDerWaalsContact CA-OG1 3.26Å; G75-T132 WeakPolarHBondContact CA-OG1 3.47Å |
| 76 | I | 91.3 | Very high | 86.6 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 42% | 0.415 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 173.2 | -68.9 | 162 | 0 | 0 | 0 | 110.7 | S72 I73 I74 M78 A79 V80 M133 | S72-I76 WeakPolarHBondContact O-CB 3.48Å; S72-I76 WeakPolarHBondContact O-CD1 3.12Å; S72-I76 VanDerWaalsContact O-CG1 3.25Å; S72-I76 WeakPolarHBondContact O-CG1 3.41Å; S72-I76 PolarHBondContact O-N 3.47Å; I73-I76 PolarHBondContact O-N 3.28Å; I74-I76 VanDerWaalsContact C-N 3.31Å; I74-I76 PolarHBondContact O-N 2.77Å; I76-M78 VanDerWaalsContact C-N 3.34Å; I76-M78 PolarHBondContact O-N 3.02Å; I76-A79 PolarHBondContact O-N 3.06Å; I76-V80 HydrophobicContact CG2-CG2 4.4Å; I76-V80 WeakPolarHBondContact O-CB 3.16Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 3.28Å; I76-M133 HydrophobicContact CG1-CG 4.47Å; I76-M133 HydrophobicContact CG1-SD 4.42Å |
| 77 | A | 89.1 | Confident | 84.4 | Confident | 47 Ų | 47 | 74 Ų | 74 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I73 I74 V80 L81 | I73-A77 WeakPolarHBondContact O-CB 3.01Å; I73-A77 PolarHBondContact O-N 3.34Å; I74-A77 PolarHBondContact O-N 2.98Å; I74-A77 VanDerWaalsContact O-N 3.14Å; A77-V80 PolarHBondContact O-N 3.21Å; A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.28Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.33Å |
| 78 | M | 85.8 | Confident | 82.5 | Confident | 28 Ų | 28 | 78.6 Ų | 78.6 | 14% | 0.138 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -37.8 | 176.4 | -65.4 | -69.8 | -67.2 | 0 | 0 | 112.1 | I74 I76 G82 F116 L120 L128 | I74-M78 HydrophobicContact CG2-CG 4.09Å; I74-M78 WeakPolarHBondContact O-CB 3.29Å; I74-M78 WeakPolarHBondContact O-CG 3.26Å; I74-M78 PolarHBondContact O-N 3.38Å; I76-M78 VanDerWaalsContact C-N 3.34Å; I76-M78 PolarHBondContact O-N 3.02Å; M78-G82 PolarHBondContact O-N 2.76Å; M78-F116 HydrophobicContact CE-CD1 4.13Å; M78-F116 HydrophobicContact CE-CG 4.49Å; M78-L120 HydrophobicContact CE-CD1 3.82Å; M78-L120 HydrophobicContact CE-CD2 3.64Å; M78-L120 HydrophobicContact CE-CG 4.11Å; M78-L128 HydrophobicContact CE-CD2 4.28Å |
| 79 | A | 88.1 | Confident | 80.2 | Confident | 16 Ų | 16 | 86 Ų | 86 | 13% | 0.132 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G75 I76 L81 G82 Y83 | G75-A79 VanDerWaalsContact O-CB 3.31Å; G75-A79 WeakPolarHBondContact O-CB 3.47Å; G75-A79 PolarHBondContact O-N 2.89Å; I76-A79 PolarHBondContact O-N 3.06Å; A79-L81 VanDerWaalsContact C-N 3.31Å; A79-L81 PolarHBondContact O-N 2.73Å; A79-G82 PolarHBondContact O-N 3.23Å; A79-Y83 HydrophobicContact CB-CD2 4.44Å; A79-Y83 WeakPolarHBondContact O-CB 3.08Å; A79-Y83 VanDerWaalsContact O-CD2 3.22Å; A79-Y83 WeakPolarHBondContact O-CD2 3.3Å; A79-Y83 PolarHBondContact O-N 2.84Å |
| 80 | V | 87.4 | Confident | 77.9 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 49% | 0.491 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 178.5 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | I76 A77 W84 | I76-V80 HydrophobicContact CG2-CG2 4.4Å; I76-V80 WeakPolarHBondContact O-CB 3.16Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3.28Å; I76-V80 PolarHBondContact O-N 3.28Å; A77-V80 PolarHBondContact O-N 3.21Å; V80-W84 WeakPolarHBondContact O-CA 3.48Å; V80-W84 WeakPolarHBondContact O-CB 3Å; V80-W84 PolarHBondContact O-N 2.71Å |
| 81 | L | 82.2 | Confident | 76 | Confident | 125 Ų | 125 | 92 Ų | 92 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.5 | -44.1 | 174.1 | -69.9 | 168.8 | 0 | 0 | 0 | 112.1 | A77 A79 Y83 W84 | A77-L81 WeakPolarHBondContact O-CB 3.37Å; A77-L81 VanDerWaalsContact O-CG 3.28Å; A77-L81 WeakPolarHBondContact O-CG 3.48Å; A77-L81 PolarHBondContact O-N 3.33Å; A79-L81 VanDerWaalsContact C-N 3.31Å; A79-L81 PolarHBondContact O-N 2.73Å; L81-Y83 VanDerWaalsContact C-N 3.32Å; L81-Y83 PolarHBondContact O-N 2.72Å; L81-W84 WeakPolarHBondContact O-CB 3.33Å; L81-W84 PolarHBondContact O-N 2.74Å |
| 82 | G | 80.5 | Confident | 73.7 | Confident | 10 Ų | 10 | 96.7 Ų | 96.7 | 10% | 0.103 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -67.1 | -28.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | M78 A79 K126 | M78-G82 PolarHBondContact O-N 2.76Å; A79-G82 PolarHBondContact O-N 3.23Å; G82-K126 WeakPolarHBondContact O-CE 3.42Å; G82-K126 WeakPolarHBondContact O-CG 3.42Å |
| 83 | Y | 76.3 | Confident | 71.3 | Confident | 138 Ų | 138 | 99.9 Ų | 99.9 | 54% | 0.541 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 1.8 | 173.2 | -69.1 | -69 | 0 | 0 | 0 | 113.6 | A79 L81 K126 P130 | A79-Y83 HydrophobicContact CB-CD2 4.44Å; A79-Y83 WeakPolarHBondContact O-CB 3.08Å; A79-Y83 VanDerWaalsContact O-CD2 3.22Å; A79-Y83 WeakPolarHBondContact O-CD2 3.3Å; A79-Y83 PolarHBondContact O-N 2.84Å; L81-Y83 VanDerWaalsContact C-N 3.32Å; L81-Y83 PolarHBondContact O-N 2.72Å; Y83-K126 HydrophobicContact CD1-CG 4.49Å; Y83-K126 HydrophobicContact CE1-CB 4.47Å; Y83-K126 HydrophobicContact CE1-CG 4.34Å; Y83-K126 PolarHBondContact OH-O 3.46Å; Y83-P130 HydrophobicContact CE2-CG 4.23Å |
| 84 | W | 80.9 | Confident | 69.1 | Low | 172 Ų | 172 | 101.9 Ų | 101.9 | 65% | 0.652 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -63.3 | 126.6 | 173.3 | -166.7 | -102.8 | 0 | 0 | 0 | 108.3 | V80 L81 Q86 | V80-W84 WeakPolarHBondContact O-CA 3.48Å; V80-W84 WeakPolarHBondContact O-CB 3Å; V80-W84 PolarHBondContact O-N 2.71Å; L81-W84 WeakPolarHBondContact O-CB 3.33Å; L81-W84 PolarHBondContact O-N 2.74Å; W84-Q86 PolarHBondContact O-N 2.67Å |
| 85 | P | 62.7 | Low | 67.1 | Low | 95 Ų | 95 | 102.3 Ų | 102.3 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | | | trans | -69 | 101.8 | -179.5 | 27 | -32.8 | 0 | 0 | 0 | 108.7 | K87 | P85-K87 PolarHBondContact O-N 2.8Š|
| 86 | Q | 59.8 | Low | 65 | Low | 134 Ų | 134 | 107.9 Ų | 107.9 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | | | trans | -56.8 | 107 | 174.6 | -163.8 | 73.9 | -3.5 | 0 | 0 | 108 | W84 E88 | W84-Q86 PolarHBondContact O-N 2.67Å; Q86-E88 PolarHBondContact O-N 3.17Å; Q86-E88 VanDerWaalsContact O-N 3.09Å |
| 87 | K | 46.2 | Very low | 62.7 | Low | 183 Ų | 183 | 111 Ų | 111 | 80% | 0.796 | 57% | 0.571 | S | S | * | * | | | trans | -73.9 | 103.5 | 173.4 | -69.7 | -175.2 | 179.9 | -179.7 | 0 | 107.1 | P85 | P85-K87 PolarHBondContact O-N 2.8Š|
| 88 | E | 52.7 | Low | 60.4 | Low | 154 Ų | 154 | 112.3 Ų | 112.3 | 72% | 0.72 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -59.7 | 146.7 | -174.1 | -59.3 | 175.8 | 161.9 | 0 | 0 | 111.1 | Q86 | Q86-E88 PolarHBondContact O-N 3.17Å; Q86-E88 VanDerWaalsContact O-N 3.09Å |
| 89 | H | 46.3 | Very low | 58.6 | Low | 157 Ų | 157 | 115.6 Ų | 115.6 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 67.2 | 41.5 | 170 | -54.2 | -64.2 | 0 | 0 | 0 | 119.5 | | |
| 90 | F | 46.8 | Very low | 56.8 | Low | 184 Ų | 184 | 120.8 Ų | 120.8 | 81% | 0.807 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -132.6 | -7.8 | 161 | -93.7 | -81.8 | 0 | 0 | 0 | 116.8 | | |
| 91 | I | 54.7 | Low | 54.8 | Low | 94 Ų | 94 | 125.8 Ų | 125.8 | 48% | 0.482 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -98.1 | -16.4 | -169.9 | -64.5 | 178.7 | 0 | 0 | 0 | 113.8 | A93 E94 T95 | I91-A93 PolarHBondContact O-N 3.49Å; I91-A93 VanDerWaalsContact O-N 3.07Å; I91-E94 PolarHBondContact O-N 2.99Å; I91-T95 HydrophobicContact CG2-CG2 3.62Å; I91-T95 WeakPolarHBondContact O-CG2 3.49Å; I91-T95 PolarHBondContact O-OG1 3.22Å |
| 92 | D | 44.9 | Very low | 53.2 | Low | 142 Ų | 142 | 124.4 Ų | 124.4 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -8.5 | 179.2 | -63.6 | -35.9 | 0 | 0 | 0 | 114.2 | | |
| 93 | A | 44.8 | Very low | 51.6 | Low | 87 Ų | 87 | 130.3 Ų | 130.3 | 72% | 0.719 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -16.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I91 | I91-A93 PolarHBondContact O-N 3.49Å; I91-A93 VanDerWaalsContact O-N 3.07Å |
| 94 | E | 47.8 | Very low | 50.1 | Low | 142 Ų | 142 | 129.9 Ų | 129.9 | 66% | 0.664 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | -10.2 | -168.1 | -155.4 | 177.1 | 164 | 0 | 0 | 113.9 | I91 T96 S98 | I91-E94 PolarHBondContact O-N 2.99Å; E94-T96 VanDerWaalsContact C-N 3.29Å; E94-T96 PolarHBondContact O-N 2.91Å; E94-S98 PolarHBondContact O-OG 2.79Å; E94-S98 VanDerWaalsContact O-OG 3.06Å |
| 95 | T | 50.1 | Low | 48.4 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 48% | 0.479 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.5 | -13.4 | -179.9 | 44.9 | 0 | 0 | 0 | 0 | 114.5 | I91 | I91-T95 HydrophobicContact CG2-CG2 3.62Å; I91-T95 WeakPolarHBondContact O-CG2 3.49Å; I91-T95 PolarHBondContact O-OG1 3.22Å |
| 96 | T | 47.3 | Very low | 47.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -11.5 | -178.5 | 51.9 | 0 | 0 | 0 | 0 | 114.5 | E94 | E94-T96 VanDerWaalsContact C-N 3.29Å; E94-T96 PolarHBondContact O-N 2.91Å |
| 97 | L | 42.9 | Very low | 47.4 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | -31.4 | -169.5 | -160.9 | 147.6 | 0 | 0 | 0 | 114 | T99 | L97-T99 PolarHBondContact O-N 2.87Š|
| 98 | S | 40.8 | Very low | 47.8 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 51% | 0.51 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.9 | -1.4 | -169.7 | 51.9 | 0 | 0 | 0 | 0 | 116.1 | E94 N100 | E94-S98 PolarHBondContact O-OG 2.79Å; E94-S98 VanDerWaalsContact O-OG 3.06Å; S98-N100 PolarHBondContact O-N 2.93Å |
| 99 | T | 48.6 | Very low | 47.8 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 60% | 0.595 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -8.4 | -165.9 | 43.9 | 0 | 0 | 0 | 0 | 116.4 | L97 | L97-T99 PolarHBondContact O-N 2.87Š|
| 100 | N | 49.2 | Very low | 48.5 | Very low | 125 Ų | 125 | 117.6 Ų | 117.6 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -94.6 | -28.1 | -171 | -73.1 | -61.5 | 0 | 0 | 0 | 116 | S98 | S98-N100 PolarHBondContact O-N 2.93Š|
| 101 | E | 45.6 | Very low | 49.2 | Very low | 186 Ų | 186 | 113.2 Ų | 113.2 | 87% | 0.869 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -16 | -166.3 | -62.5 | -160.7 | 137.7 | 0 | 0 | 115.7 | Q103 | E101-Q103 PolarHBondContact O-N 3.4Š|
| 102 | T | 47.9 | Very low | 49.4 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 59% | 0.589 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 11.7 | -176.4 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | V104 | T102-V104 PolarHBondContact O-N 3.35Š|
| 103 | Q | 47.3 | Very low | 50.1 | Low | 135 Ų | 135 | 108.9 Ų | 108.9 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | | | trans | -72.7 | -27 | -169.2 | -158.9 | 172.1 | 16.3 | 0 | 0 | 114.3 | E101 I105 R106 | E101-Q103 PolarHBondContact O-N 3.4Å; Q103-I105 PolarHBondContact O-N 2.79Å; Q103-R106 PolarHBondContact O-N 3.31Å |
| 104 | V | 45.2 | Very low | 50.9 | Low | 129 Ų | 129 | 111.8 Ų | 111.8 | 78% | 0.782 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -32.3 | -164 | -176.3 | 0 | 0 | 0 | 0 | 114.5 | T102 | T102-V104 PolarHBondContact O-N 3.35Š|
| 105 | I | 46 | Very low | 51.6 | Low | 172 Ų | 172 | 111.4 Ų | 111.4 | 88% | 0.882 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 13.4 | -176.9 | -38.4 | -177.2 | 0 | 0 | 0 | 111.4 | Q103 | Q103-I105 PolarHBondContact O-N 2.79Š|
| 106 | R | 48.6 | Very low | 52.2 | Low | 105 Ų | 105 | 110.5 Ų | 110.5 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | | | trans | -119.2 | 17 | -168.5 | -153.8 | -177 | 173.1 | -166 | -3.2 | 114.3 | Q103 G110 V113 | Q103-R106 PolarHBondContact O-N 3.31Å; R106-G110 WeakPolarHBondContact O-CA 3.23Å; R106-G110 PolarHBondContact O-N 3.41Å; R106-V113 VanDerWaalsContact NH2-CG1 3.25Å |
| 107 | N | 52.3 | Low | 53 | Low | 124 Ų | 124 | 109 Ų | 109 | 66% | 0.663 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -71.6 | -49.7 | -174.2 | -78.2 | -17.3 | 0 | 0 | 0 | 114.3 | | |
| 108 | E | 54 | Low | 53.9 | Low | 182 Ų | 182 | 108.7 Ų | 108.7 | 85% | 0.85 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.6 | -49.4 | 177.4 | -65.8 | -163.9 | 154.2 | 0 | 0 | 112.3 | G110 V111 | E108-G110 PolarHBondContact O-N 2.85Å; E108-G110 VanDerWaalsContact O-N 3.17Å; E108-V111 PolarHBondContact O-N 3.47Å |
| 109 | G | 52.6 | Low | 54.6 | Low | 41 Ų | 41 | 112.3 Ų | 112.3 | 42% | 0.423 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -19.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V112 V113 | G109-V112 PolarHBondContact O-N 3.01Å; G109-V113 WeakPolarHBondContact O-CG2 3.22Å; G109-V113 PolarHBondContact O-N 3.33Å |
| 110 | G | 60.7 | Low | 55 | Low | 13 Ų | 13 | 109.5 Ų | 109.5 | 13% | 0.134 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -63.5 | -45.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R106 E108 V112 V113 R114 | R106-G110 WeakPolarHBondContact O-CA 3.23Å; R106-G110 PolarHBondContact O-N 3.41Å; E108-G110 PolarHBondContact O-N 2.85Å; E108-G110 VanDerWaalsContact O-N 3.17Å; G110-V112 VanDerWaalsContact C-N 3.33Å; G110-V112 PolarHBondContact O-N 3.04Å; G110-V113 PolarHBondContact O-N 2.93Å; G110-R114 WeakPolarHBondContact O-CB 3.19Å; G110-R114 WeakPolarHBondContact O-CG 3.33Å; G110-R114 PolarHBondContact O-N 2.99Å |
| 111 | V | 62.1 | Low | 55.3 | Low | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.558 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.6 | -45.5 | 179.7 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | E108 R114 F115 | E108-V111 PolarHBondContact O-N 3.47Å; V111-R114 PolarHBondContact O-N 3.21Å; V111-F115 HydrophobicContact CG1-CD2 4.22Å; V111-F115 HydrophobicContact CG1-CE2 4.49Å; V111-F115 PolarHBondContact O-N 3.46Å |
| 112 | V | 58.1 | Low | 55.8 | Low | 83 Ų | 83 | 106.1 Ų | 106.1 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 178.9 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | G109 G110 F115 F116 | G109-V112 PolarHBondContact O-N 3.01Å; G110-V112 VanDerWaalsContact C-N 3.33Å; G110-V112 PolarHBondContact O-N 3.04Å; V112-F115 PolarHBondContact O-N 3.27Å; V112-F116 HydrophobicContact CG1-CD2 3.88Å; V112-F116 HydrophobicContact CG1-CE2 3.59Å; V112-F116 VanDerWaalsContact O-CD2 3.23Å; V112-F116 WeakPolarHBondContact O-CD2 3.16Å; V112-F116 PolarHBondContact O-N 2.93Å |
| 113 | V | 60.7 | Low | 56.6 | Low | 62 Ų | 62 | 108.1 Ų | 108.1 | 38% | 0.376 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -71.9 | -31.9 | 179.3 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | R106 G109 G110 F116 E117 | R106-V113 VanDerWaalsContact NH2-CG1 3.25Å; G109-V113 WeakPolarHBondContact O-CG2 3.22Å; G109-V113 PolarHBondContact O-N 3.33Å; G110-V113 PolarHBondContact O-N 2.93Å; V113-F116 PolarHBondContact O-N 3.25Å; V113-E117 VanDerWaalsContact O-CB 3.22Å; V113-E117 WeakPolarHBondContact O-CB 3.41Å; V113-E117 PolarHBondContact O-N 2.79Å |
| 114 | R | 61.9 | Low | 57.4 | Low | 148 Ų | 148 | 108.9 Ų | 108.9 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -41.2 | 170.3 | -73.6 | -63.9 | -162.1 | -170.6 | 4.5 | 111.7 | G110 V111 E117 Q118 | G110-R114 WeakPolarHBondContact O-CB 3.19Å; G110-R114 WeakPolarHBondContact O-CG 3.33Å; G110-R114 PolarHBondContact O-N 2.99Å; V111-R114 PolarHBondContact O-N 3.21Å; R114-E117 WeakPolarHBondContact CD-OE2 3.2Å; R114-E117 IonicContact CZ-OE2 2.72Å; R114-E117 IonicContact NE-OE2 3.77Å; R114-E117 IonicContact NH1-OE2 2.85Å; R114-E117 PolarHBondContact NH1-OE2 3.4Å; R114-E117 WeakPolarHBondContact O-CB 3.09Å; R114-E117 PolarHBondContact O-N 2.93Å; R114-Q118 WeakPolarHBondContact O-CG 3.35Å; R114-Q118 PolarHBondContact O-N 3.37Å |
| 115 | F | 60.9 | Low | 58.4 | Low | 133 Ų | 133 | 106.8 Ų | 106.8 | 58% | 0.583 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.7 | -42.7 | 174 | -103.3 | -83.5 | 0 | 0 | 0 | 112 | V111 V112 Q118 H119 | V111-F115 HydrophobicContact CG1-CD2 4.22Å; V111-F115 HydrophobicContact CG1-CE2 4.49Å; V111-F115 PolarHBondContact O-N 3.46Å; V112-F115 PolarHBondContact O-N 3.27Å; F115-Q118 PolarHBondContact O-N 2.72Å; F115-H119 PolarHBondContact O-N 3.44Å |
| 116 | F | 63.9 | Low | 59.7 | Low | 60 Ų | 60 | 103.5 Ų | 103.5 | 26% | 0.263 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 171.9 | -76.6 | -60.2 | 0 | 0 | 0 | 111.6 | M78 V112 V113 Q118 H119 L120 | M78-F116 HydrophobicContact CE-CD1 4.13Å; M78-F116 HydrophobicContact CE-CG 4.49Å; V112-F116 HydrophobicContact CG1-CD2 3.88Å; V112-F116 HydrophobicContact CG1-CE2 3.59Å; V112-F116 VanDerWaalsContact O-CD2 3.23Å; V112-F116 WeakPolarHBondContact O-CD2 3.16Å; V112-F116 PolarHBondContact O-N 2.93Å; V113-F116 PolarHBondContact O-N 3.25Å; F116-Q118 PolarHBondContact O-N 2.99Å; F116-H119 CarbonylContact O-C 3.48Å; F116-H119 PolarHBondContact O-N 3.36Å; F116-L120 HydrophobicContact CB-CD1 4.17Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CD1 3.49Å; F116-L120 WeakPolarHBondContact O-CG 3.27Å; F116-L120 PolarHBondContact O-N 3.02Å |
| 117 | E | 63.1 | Low | 61.1 | Low | 87 Ų | 87 | 105 Ų | 105 | 41% | 0.407 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -52.7 | -39.6 | 176.8 | -173.9 | 171.5 | -118.2 | 0 | 0 | 112 | V113 R114 | V113-E117 VanDerWaalsContact O-CB 3.22Å; V113-E117 WeakPolarHBondContact O-CB 3.41Å; V113-E117 PolarHBondContact O-N 2.79Å; R114-E117 WeakPolarHBondContact CD-OE2 3.2Å; R114-E117 IonicContact CZ-OE2 2.72Å; R114-E117 IonicContact NE-OE2 3.77Å; R114-E117 IonicContact NH1-OE2 2.85Å; R114-E117 PolarHBondContact NH1-OE2 3.4Å; R114-E117 WeakPolarHBondContact O-CB 3.09Å; R114-E117 PolarHBondContact O-N 2.93Å |
| 118 | Q | 63.3 | Low | 62.7 | Low | 140 Ų | 140 | 101 Ų | 101 | 65% | 0.654 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.6 | -35.3 | 174.1 | -70.8 | 173.6 | -6.6 | 0 | 0 | 114.1 | R114 F115 F116 | R114-Q118 WeakPolarHBondContact O-CG 3.35Å; R114-Q118 PolarHBondContact O-N 3.37Å; F115-Q118 PolarHBondContact O-N 2.72Å; F116-Q118 PolarHBondContact O-N 2.99Å |
| 119 | H | 55.6 | Low | 64.2 | Low | 149 Ų | 149 | 92.3 Ų | 92.3 | 69% | 0.69 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -82.3 | -11.8 | 175.1 | -95.9 | 4.9 | 0 | 0 | 0 | 114.4 | F115 F116 | F115-H119 PolarHBondContact O-N 3.44Å; F116-H119 CarbonylContact O-C 3.48Å; F116-H119 PolarHBondContact O-N 3.36Å |
| 120 | L | 56.8 | Low | 66.1 | Low | 37 Ų | 37 | 93 Ų | 93 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | | | trans | -92.1 | -10.8 | -177.5 | -78 | 170.5 | 0 | 0 | 0 | 114.6 | M78 F116 S122 M125 L128 | M78-L120 HydrophobicContact CE-CD1 3.82Å; M78-L120 HydrophobicContact CE-CD2 3.64Å; M78-L120 HydrophobicContact CE-CG 4.11Å; F116-L120 HydrophobicContact CB-CD1 4.17Å; F116-L120 WeakPolarHBondContact O-CB 3.35Å; F116-L120 WeakPolarHBondContact O-CD1 3.49Å; F116-L120 WeakPolarHBondContact O-CG 3.27Å; F116-L120 PolarHBondContact O-N 3.02Å; L120-S122 PolarHBondContact O-N 3.03Å; L120-M125 HydrophobicContact CB-CG 4.06Å; L120-M125 HydrophobicContact CB-SD 3.95Å; L120-M125 HydrophobicContact CD2-CB 3.89Å; L120-M125 HydrophobicContact CD2-CG 3.53Å; L120-M125 HydrophobicContact CD2-SD 3.92Å; L120-M125 HydrophobicContact CG-CG 4.4Å; L120-M125 HydrophobicContact CG-SD 4.42Å; L120-M125 WeakPolarHBondContact O-CG 3.27Å; L120-M125 VanDerWaalsContact O-SD 3.35Å; L120-L128 HydrophobicContact CD2-CD2 4.03Å |
| 121 | H | 55.5 | Low | 67.5 | Low | 178 Ų | 178 | 99 Ų | 99 | 82% | 0.824 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -75.5 | 30.7 | -165.7 | -143 | 85.2 | 0 | 0 | 0 | 115.9 | | |
| 122 | S | 55.9 | Low | 68.9 | Low | 62 Ų | 62 | 95.7 Ų | 95.7 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -159.1 | 169.3 | 165.5 | 58 | 0 | 0 | 0 | 0 | 110 | L120 K124 M125 | L120-S122 PolarHBondContact O-N 3.03Å; S122-K124 PolarHBondContact O-N 2.89Å; S122-M125 WeakPolarHBondContact O-CG 3.44Å; S122-M125 PolarHBondContact O-N 3.44Å |
| 123 | D | 64.5 | Low | 70.5 | Confident | 138 Ų | 138 | 95.3 Ų | 95.3 | 74% | 0.738 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -11.2 | -167.9 | -59.5 | -84.9 | 0 | 0 | 0 | 117.6 | M125 K126 | D123-M125 PolarHBondContact O-N 2.92Å; D123-K126 PolarHBondContact O-N 3.23Å |
| 124 | K | 63.7 | Low | 72.1 | Confident | 152 Ų | 152 | 94.1 Ų | 94.1 | 66% | 0.661 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -19.9 | 170.7 | -61.4 | -180 | -177.2 | 176.8 | 0 | 113.5 | S122 K126 M127 L128 | S122-K124 PolarHBondContact O-N 2.89Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 2.88Å; K124-M127 PolarHBondContact O-N 2.96Å; K124-L128 PolarHBondContact O-N 2.78Å |
| 125 | M | 65.5 | Low | 73.7 | Confident | 84 Ų | 84 | 90.8 Ų | 90.8 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -44.7 | -48 | 173.3 | -55.6 | -154.1 | -76.3 | 0 | 0 | 113.2 | L120 S122 D123 M127 L128 G129 | L120-M125 HydrophobicContact CB-CG 4.06Å; L120-M125 HydrophobicContact CB-SD 3.95Å; L120-M125 HydrophobicContact CD2-CB 3.89Å; L120-M125 HydrophobicContact CD2-CG 3.53Å; L120-M125 HydrophobicContact CD2-SD 3.92Å; L120-M125 HydrophobicContact CG-CG 4.4Å; L120-M125 HydrophobicContact CG-SD 4.42Å; L120-M125 WeakPolarHBondContact O-CG 3.27Å; L120-M125 VanDerWaalsContact O-SD 3.35Å; S122-M125 WeakPolarHBondContact O-CG 3.44Å; S122-M125 PolarHBondContact O-N 3.44Å; D123-M125 PolarHBondContact O-N 2.92Å; M125-M127 VanDerWaalsContact C-N 3.27Å; M125-M127 PolarHBondContact O-N 2.7Å; M125-L128 PolarHBondContact O-N 2.76Å; M125-G129 PolarHBondContact O-N 2.88Å |
| 126 | K | 73.6 | Confident | 75.3 | Confident | 103 Ų | 103 | 84.4 Ų | 84.4 | 45% | 0.448 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.5 | -25 | -178 | -77.7 | 167.5 | -179.3 | 165.4 | 0 | 113.4 | G82 Y83 D123 K124 P130 | G82-K126 WeakPolarHBondContact O-CE 3.42Å; G82-K126 WeakPolarHBondContact O-CG 3.42Å; Y83-K126 HydrophobicContact CD1-CG 4.49Å; Y83-K126 HydrophobicContact CE1-CB 4.47Å; Y83-K126 HydrophobicContact CE1-CG 4.34Å; Y83-K126 PolarHBondContact OH-O 3.46Å; D123-K126 PolarHBondContact O-N 3.23Å; K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 2.88Å; K126-P130 WeakPolarHBondContact O-CD 3.2Å; K126-P130 WeakPolarHBondContact O-CG 3.17Å |
| 127 | M | 78.9 | Confident | 76.8 | Confident | 136 Ų | 136 | 84.5 Ų | 84.5 | 67% | 0.67 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -89.9 | -30 | 176 | -58.5 | -57.2 | -68.1 | 0 | 0 | 112.1 | K124 M125 F131 | K124-M127 PolarHBondContact O-N 2.96Å; M125-M127 VanDerWaalsContact C-N 3.27Å; M125-M127 PolarHBondContact O-N 2.7Å; M127-F131 VanDerWaalsContact O-CB 3.3Å; M127-F131 WeakPolarHBondContact O-CB 3.42Å; M127-F131 PolarHBondContact O-N 2.76Å |
| 128 | L | 84.4 | Confident | 78.4 | Confident | 40 Ų | 40 | 86.6 Ų | 86.6 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.7 | -35.7 | -178.1 | -173.5 | 62.6 | 0 | 0 | 0 | 112.6 | M78 L120 K124 M125 F131 T132 | M78-L128 HydrophobicContact CE-CD2 4.28Å; L120-L128 HydrophobicContact CD2-CD2 4.03Å; K124-L128 PolarHBondContact O-N 2.78Å; M125-L128 PolarHBondContact O-N 2.76Å; L128-F131 HydrophobicContact CD1-CD1 4.28Å; L128-F131 PolarHBondContact O-N 2.79Å; L128-T132 HydrophobicContact CD1-CG2 3.96Å; L128-T132 HydrophobicContact CG-CG2 4.28Å; L128-T132 WeakPolarHBondContact O-CB 3.38Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.48Å; L128-T132 PolarHBondContact O-OG1 3.36Å |
| 129 | G | 87.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.8 | -60.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M125 F131 T132 M133 | M125-G129 PolarHBondContact O-N 2.88Å; G129-F131 VanDerWaalsContact C-N 3.29Å; G129-F131 PolarHBondContact O-N 3.47Å; G129-T132 PolarHBondContact O-N 3.49Å; G129-T132 PolarHBondContact O-OG1 3.04Å; G129-T132 VanDerWaalsContact O-OG1 3.11Å; G129-M133 VanDerWaalsContact O-CB 3.29Å; G129-M133 WeakPolarHBondContact O-CB 3.42Å; G129-M133 PolarHBondContact O-N 3.22Å |
| 130 | P | 90.5 | Very high | 81.7 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -56 | -37.1 | 174 | -28 | 36.2 | 0 | 0 | 0 | 114.3 | Y83 K126 G134 | Y83-P130 HydrophobicContact CE2-CG 4.23Å; K126-P130 WeakPolarHBondContact O-CD 3.2Å; K126-P130 WeakPolarHBondContact O-CG 3.17Å; P130-G134 PolarHBondContact O-N 3.44Å |
| 131 | F | 90.9 | Very high | 83.4 | Confident | 140 Ų | 140 | 81.7 Ų | 81.7 | 61% | 0.614 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 176.9 | 179.1 | -99.9 | 0 | 0 | 0 | 112.7 | M127 L128 G129 G134 I135 | M127-F131 VanDerWaalsContact O-CB 3.3Å; M127-F131 WeakPolarHBondContact O-CB 3.42Å; M127-F131 PolarHBondContact O-N 2.76Å; L128-F131 HydrophobicContact CD1-CD1 4.28Å; L128-F131 PolarHBondContact O-N 2.79Å; G129-F131 VanDerWaalsContact C-N 3.29Å; G129-F131 PolarHBondContact O-N 3.47Å; F131-G134 PolarHBondContact O-N 3.36Å; F131-I135 PolarHBondContact O-N 3.27Å |
| 132 | T | 90.6 | Very high | 85.2 | Confident | 21 Ų | 21 | 75.7 Ų | 75.7 | 13% | 0.129 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72.9 | -32.8 | 178.5 | 50.7 | 0 | 0 | 0 | 0 | 112.5 | G75 L128 G129 G136 | G75-T132 VanDerWaalsContact CA-OG1 3.26Å; G75-T132 WeakPolarHBondContact CA-OG1 3.47Å; L128-T132 HydrophobicContact CD1-CG2 3.96Å; L128-T132 HydrophobicContact CG-CG2 4.28Å; L128-T132 WeakPolarHBondContact O-CB 3.38Å; L128-T132 WeakPolarHBondContact O-CG2 3.3Å; L128-T132 PolarHBondContact O-N 3.48Å; L128-T132 PolarHBondContact O-OG1 3.36Å; G129-T132 PolarHBondContact O-N 3.49Å; G129-T132 PolarHBondContact O-OG1 3.04Å; G129-T132 VanDerWaalsContact O-OG1 3.11Å; T132-G136 PolarHBondContact O-N 2.91Å |
| 133 | M | 93.7 | Very high | 86.9 | Confident | 75 Ų | 75 | 73 Ų | 73 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 165.7 | 175.5 | -177 | 167.5 | 0 | 0 | 110.8 | I76 G129 G136 I137 | I76-M133 HydrophobicContact CG1-CG 4.47Å; I76-M133 HydrophobicContact CG1-SD 4.42Å; G129-M133 VanDerWaalsContact O-CB 3.29Å; G129-M133 WeakPolarHBondContact O-CB 3.42Å; G129-M133 PolarHBondContact O-N 3.22Å; M133-G136 PolarHBondContact O-N 2.98Å; M133-I137 HydrophobicContact CE-CD1 3.66Å; M133-I137 HydrophobicContact CG-CD1 3.7Å; M133-I137 WeakPolarHBondContact O-CB 3.14Å; M133-I137 VanDerWaalsContact O-CG1 3.27Å; M133-I137 WeakPolarHBondContact O-CG1 3.49Å; M133-I137 PolarHBondContact O-N 3.38Å |
| 134 | G | 94.3 | Very high | 88.1 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P130 F131 I137 F138 | P130-G134 PolarHBondContact O-N 3.44Å; F131-G134 PolarHBondContact O-N 3.36Å; G134-I137 PolarHBondContact O-N 3.29Å; G134-F138 WeakPolarHBondContact O-CB 3.41Å; G134-F138 PolarHBondContact O-N 3.27Å |
| 135 | I | 94.6 | Very high | 89.3 | Confident | 78 Ų | 78 | 64.2 Ų | 64.2 | 40% | 0.4 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | 178.6 | -147.3 | 71.9 | 0 | 0 | 0 | 111.9 | I71 F131 F138 I139 | I71-I135 HydrophobicContact CG2-CG2 3.89Å; F131-I135 PolarHBondContact O-N 3.27Å; I135-F138 PolarHBondContact O-N 2.91Å; I135-I139 WeakPolarHBondContact O-CD1 3.27Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 2.8Å |
| 136 | G | 95 | Very high | 90.4 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | T132 M133 I139 F140 | T132-G136 PolarHBondContact O-N 2.91Å; M133-G136 PolarHBondContact O-N 2.98Å; G136-I139 PolarHBondContact O-N 3.34Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.38Å; G136-F140 PolarHBondContact O-N 3.46Å |
| 137 | I | 94.9 | Very high | 90.8 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.5 | -69.7 | 169.5 | 0 | 0 | 0 | 111.3 | M133 G134 F140 I141 | M133-I137 HydrophobicContact CE-CD1 3.66Å; M133-I137 HydrophobicContact CG-CD1 3.7Å; M133-I137 WeakPolarHBondContact O-CB 3.14Å; M133-I137 VanDerWaalsContact O-CG1 3.27Å; M133-I137 WeakPolarHBondContact O-CG1 3.49Å; M133-I137 PolarHBondContact O-N 3.38Å; G134-I137 PolarHBondContact O-N 3.29Å; I137-F140 PolarHBondContact O-N 2.85Å; I137-I141 HydrophobicContact CG2-CD1 3.7Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.31Å; I137-I141 PolarHBondContact O-N 2.95Å |
| 138 | F | 96.4 | Very high | 90.7 | Very high | 132 Ų | 132 | 59.2 Ų | 59.2 | 58% | 0.579 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.9 | -50.9 | 175 | 176.5 | -103.3 | 0 | 0 | 0 | 111.5 | G134 I135 F140 I141 C142 | G134-F138 WeakPolarHBondContact O-CB 3.41Å; G134-F138 PolarHBondContact O-N 3.27Å; I135-F138 PolarHBondContact O-N 2.91Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 3.48Å; F138-I141 PolarHBondContact O-N 2.88Å; F138-C142 PolarHBondContact O-N 3.33Å; F138-C142 PolarHBondContact O-SG 3.19Å |
| 139 | I | 94.4 | Very high | 90.5 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 175.8 | -67.8 | 164.6 | 0 | 0 | 0 | 110.7 | I71 I135 G136 C142 A143 | I71-I139 HydrophobicContact CD1-CD1 3.89Å; I135-I139 WeakPolarHBondContact O-CD1 3.27Å; I135-I139 VanDerWaalsContact O-CG1 3.27Å; I135-I139 WeakPolarHBondContact O-CG1 3.32Å; I135-I139 PolarHBondContact O-N 2.8Å; G136-I139 PolarHBondContact O-N 3.34Å; I139-C142 PolarHBondContact O-N 3.38Å; I139-A143 WeakPolarHBondContact O-CB 3.49Å; I139-A143 PolarHBondContact O-N 2.84Å |
| 140 | F | 93.5 | Very high | 89.9 | Confident | 73 Ų | 73 | 65.1 Ų | 65.1 | 32% | 0.32 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.2 | 174.8 | -102.9 | 0 | 0 | 0 | 112.6 | L65 V69 G136 I137 F138 N144 | L65-F140 HydrophobicContact CD1-CE2 4.29Å; L65-F140 HydrophobicContact CD2-CD2 4.26Å; L65-F140 HydrophobicContact CD2-CE2 3.87Å; L65-F140 HydrophobicContact CG-CD2 3.93Å; L65-F140 HydrophobicContact CG-CE2 3.77Å; V69-F140 HydrophobicContact CG2-CD2 3.62Å; V69-F140 HydrophobicContact CG2-CE2 3.76Å; G136-F140 VanDerWaalsContact O-CB 3.32Å; G136-F140 WeakPolarHBondContact O-CB 3.38Å; G136-F140 PolarHBondContact O-N 3.46Å; I137-F140 PolarHBondContact O-N 2.85Å; F138-F140 VanDerWaalsContact C-N 3.31Å; F138-F140 PolarHBondContact O-N 3.48Å; F140-N144 WeakPolarHBondContact O-CB 3.41Å; F140-N144 PolarHBondContact O-N 2.86Å |
| 141 | I | 93.9 | Very high | 89 | Confident | 102 Ų | 102 | 67 Ų | 67 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66.4 | -45.2 | 179.2 | -69.3 | 169.5 | 0 | 0 | 0 | 110.8 | I137 F138 N144 A145 | I137-I141 HydrophobicContact CG2-CD1 3.7Å; I137-I141 HydrophobicContact CG2-CG1 4.33Å; I137-I141 VanDerWaalsContact O-CG1 3.31Å; I137-I141 WeakPolarHBondContact O-CG1 3.31Å; I137-I141 PolarHBondContact O-N 2.95Å; F138-I141 PolarHBondContact O-N 2.88Å; I141-N144 PolarHBondContact O-N 3.5Å; I141-A145 WeakPolarHBondContact O-CB 3.38Å; I141-A145 PolarHBondContact O-N 3.23Å |
| 142 | C | 92.6 | Very high | 87.6 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 35% | 0.345 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 176.5 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | F138 I139 N144 A145 I146 | F138-C142 PolarHBondContact O-N 3.33Å; F138-C142 PolarHBondContact O-SG 3.19Å; I139-C142 PolarHBondContact O-N 3.38Å; C142-N144 VanDerWaalsContact C-N 3.33Å; C142-N144 PolarHBondContact O-N 2.99Å; C142-A145 PolarHBondContact O-N 3.01Å; C142-I146 WeakPolarHBondContact O-CG1 3.02Å; C142-I146 PolarHBondContact O-N 2.8Å |
| 143 | A | 90.8 | Very high | 86.1 | Confident | 5 Ų | 5 | 68 Ų | 68 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.8 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F64 L65 I139 I146 L147 | F64-A143 HydrophobicContact CB-CB 3.73Å; L65-A143 HydrophobicContact CB-CB 4.2Å; I139-A143 WeakPolarHBondContact O-CB 3.49Å; I139-A143 PolarHBondContact O-N 2.84Å; A143-I146 PolarHBondContact O-N 2.91Å; A143-L147 VanDerWaalsContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CB 3.49Å; A143-L147 PolarHBondContact O-N 2.85Å |
| 144 | N | 89.6 | Confident | 84.4 | Confident | 48 Ų | 48 | 70 Ų | 70 | 26% | 0.257 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 177.5 | -167.1 | 52 | 0 | 0 | 0 | 111.9 | L65 F140 I141 C142 L147 H148 | L65-N144 HydrophobicContact CD1-CB 4.46Å; F140-N144 WeakPolarHBondContact O-CB 3.41Å; F140-N144 PolarHBondContact O-N 2.86Å; I141-N144 PolarHBondContact O-N 3.5Å; C142-N144 VanDerWaalsContact C-N 3.33Å; C142-N144 PolarHBondContact O-N 2.99Å; N144-L147 PolarHBondContact O-N 3.13Å; N144-H148 PolarHBondContact ND2-CD2 3.36Å; N144-H148 VanDerWaalsContact ND2-CD2 3.29Å; N144-H148 PolarHBondContact ND2-NE2 3.34Å; N144-H148 WeakPolarHBondContact O-CB 3.49Å; N144-H148 PolarHBondContact O-CD2 3.28Å; N144-H148 PolarHBondContact O-N 3.42Å; N144-H148 PolarHBondContact OD1-CD2 3.43Å |
| 145 | A | 90.1 | Very high | 82.4 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 48% | 0.479 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I141 C142 L147 H148 E149 | I141-A145 WeakPolarHBondContact O-CB 3.38Å; I141-A145 PolarHBondContact O-N 3.23Å; C142-A145 PolarHBondContact O-N 3.01Å; A145-L147 VanDerWaalsContact C-N 3.3Å; A145-L147 PolarHBondContact O-N 3.05Å; A145-H148 PolarHBondContact O-N 3.4Å; A145-E149 WeakPolarHBondContact O-CB 3.1Å; A145-E149 PolarHBondContact O-N 3.14Å |
| 146 | I | 87.3 | Confident | 80.5 | Confident | 83 Ų | 83 | 73.8 Ų | 73.8 | 43% | 0.426 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.2 | -66 | 165.1 | 0 | 0 | 0 | 111.1 | C142 A143 N150 | C142-I146 WeakPolarHBondContact O-CG1 3.02Å; C142-I146 PolarHBondContact O-N 2.8Å; A143-I146 PolarHBondContact O-N 2.91Å; I146-N150 WeakPolarHBondContact CG2-ND2 3.42Å; I146-N150 WeakPolarHBondContact O-CB 3.33Å; I146-N150 PolarHBondContact O-N 3.18Å; I146-N150 PolarHBondContact O-ND2 2.87Å |
| 147 | L | 82.4 | Confident | 78.6 | Confident | 26 Ų | 26 | 79.1 Ų | 79.1 | 14% | 0.136 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -69.6 | -38.5 | 176.8 | -173.6 | 64.2 | 0 | 0 | 0 | 112 | L65 A143 N144 A145 R151 | L65-L147 HydrophobicContact CD1-CD2 3.55Å; A143-L147 VanDerWaalsContact O-CB 3.26Å; A143-L147 WeakPolarHBondContact O-CB 3.49Å; A143-L147 PolarHBondContact O-N 2.85Å; N144-L147 PolarHBondContact O-N 3.13Å; A145-L147 VanDerWaalsContact C-N 3.3Å; A145-L147 PolarHBondContact O-N 3.05Å; L147-R151 WeakPolarHBondContact O-CB 3.18Å; L147-R151 PolarHBondContact O-N 2.81Å |
| 148 | H | 77.3 | Confident | 76.8 | Confident | 109 Ų | 109 | 81.4 Ų | 81.4 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.8 | -41.7 | 174.4 | -86.6 | -75.7 | 0 | 0 | 0 | 112.1 | N144 A145 R151 D152 | N144-H148 PolarHBondContact ND2-CD2 3.36Å; N144-H148 VanDerWaalsContact ND2-CD2 3.29Å; N144-H148 PolarHBondContact ND2-NE2 3.34Å; N144-H148 WeakPolarHBondContact O-CB 3.49Å; N144-H148 PolarHBondContact O-CD2 3.28Å; N144-H148 PolarHBondContact O-N 3.42Å; N144-H148 PolarHBondContact OD1-CD2 3.43Å; A145-H148 PolarHBondContact O-N 3.4Å; H148-R151 PolarHBondContact O-N 3.45Å; H148-D152 WeakPolarHBondContact O-CB 3.26Å; H148-D152 PolarHBondContact O-N 3.5Å |
| 149 | E | 81.1 | Confident | 74.9 | Confident | 104 Ų | 104 | 80.8 Ų | 80.8 | 49% | 0.486 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.5 | -165.1 | -148.6 | 149.3 | 0 | 0 | 111.3 | A145 D152 K153 | A145-E149 WeakPolarHBondContact O-CB 3.1Å; A145-E149 PolarHBondContact O-N 3.14Å; E149-D152 PolarHBondContact O-N 3.3Å; E149-K153 WeakPolarHBondContact O-CG 3.33Å; E149-K153 PolarHBondContact O-N 3.4Å; E149-K153 WeakPolarHBondContact OE1-CE 3.45Å; E149-K153 IonicContact OE1-NZ 2.64Å; E149-K153 PolarHBondContact OE1-NZ 2.99Å |
| 150 | N | 74.9 | Confident | 73.2 | Confident | 60 Ų | 60 | 82.6 Ų | 82.6 | 32% | 0.321 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.7 | -31.8 | 176.9 | -71.3 | -58.1 | 0 | 0 | 0 | 112.7 | I146 K153 E154 | I146-N150 WeakPolarHBondContact CG2-ND2 3.42Å; I146-N150 WeakPolarHBondContact O-CB 3.33Å; I146-N150 PolarHBondContact O-N 3.18Å; I146-N150 PolarHBondContact O-ND2 2.87Å; N150-K153 WeakPolarHBondContact O-CB 3.19Å; N150-K153 PolarHBondContact O-N 3.27Å; N150-K153 PolarHBondContact OD1-NZ 3.3Å; N150-E154 PolarHBondContact O-N 2.85Å |
| 151 | R | 70.1 | Confident | 71.9 | Confident | 96 Ų | 96 | 88.4 Ų | 88.4 | 36% | 0.362 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 172.4 | -169.9 | -174.8 | -175.8 | 111.9 | 3.2 | 111.9 | L147 H148 K153 E154 T155 | L147-R151 WeakPolarHBondContact O-CB 3.18Å; L147-R151 PolarHBondContact O-N 2.81Å; H148-R151 PolarHBondContact O-N 3.45Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 2.82Å; R151-E154 PolarHBondContact O-N 3.18Å; R151-T155 PolarHBondContact O-N 2.88Å; R151-T155 PolarHBondContact O-OG1 3.05Å |
| 152 | D | 61.5 | Low | 70.4 | Confident | 96 Ų | 96 | 88.3 Ų | 88.3 | 51% | 0.513 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 175.1 | -175.3 | 58.7 | 0 | 0 | 0 | 110.5 | H148 E149 E154 T155 K156 | H148-D152 WeakPolarHBondContact O-CB 3.26Å; H148-D152 PolarHBondContact O-N 3.5Å; E149-D152 PolarHBondContact O-N 3.3Å; D152-E154 PolarHBondContact O-N 2.84Å; D152-T155 WeakPolarHBondContact CA-OG1 3.24Å; D152-T155 PolarHBondContact O-N 3.23Å; D152-T155 PolarHBondContact O-OG1 3.34Å; D152-T155 VanDerWaalsContact O-OG1 3.14Å; D152-K156 WeakPolarHBondContact O-CB 3.3Å; D152-K156 PolarHBondContact O-N 3.35Å |
| 153 | K | 60.4 | Low | 69.4 | Low | 87 Ų | 87 | 89.2 Ų | 89.2 | 38% | 0.378 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56 | -49.2 | 170.4 | -64.2 | 167.5 | -161.2 | 168.4 | 0 | 111.7 | E149 N150 R151 K156 I157 | E149-K153 WeakPolarHBondContact O-CG 3.33Å; E149-K153 PolarHBondContact O-N 3.4Å; E149-K153 WeakPolarHBondContact OE1-CE 3.45Å; E149-K153 IonicContact OE1-NZ 2.64Å; E149-K153 PolarHBondContact OE1-NZ 2.99Å; N150-K153 WeakPolarHBondContact O-CB 3.19Å; N150-K153 PolarHBondContact O-N 3.27Å; N150-K153 PolarHBondContact OD1-NZ 3.3Å; R151-K153 VanDerWaalsContact C-N 3.32Å; R151-K153 PolarHBondContact O-N 2.82Å; K153-K156 PolarHBondContact O-N 3.47Å; K153-I157 WeakPolarHBondContact O-CB 3.37Å; K153-I157 WeakPolarHBondContact O-CD1 3.45Å; K153-I157 WeakPolarHBondContact O-CG1 3.49Å; K153-I157 PolarHBondContact O-N 2.85Å |
| 154 | E | 56.8 | Low | 68.1 | Low | 116 Ų | 116 | 96 Ų | 96 | 54% | 0.542 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 176.7 | -75.1 | -172.8 | 169.8 | 0 | 0 | 112.8 | N150 R151 D152 I157 I158 | N150-E154 PolarHBondContact O-N 2.85Å; R151-E154 PolarHBondContact O-N 3.18Å; D152-E154 PolarHBondContact O-N 2.84Å; E154-I157 PolarHBondContact O-N 3.49Å; E154-I158 WeakPolarHBondContact O-CG1 3.16Å; E154-I158 PolarHBondContact O-N 2.86Å |
| 155 | T | 53.8 | Low | 66.9 | Low | 65 Ų | 65 | 97.1 Ų | 97.1 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70 | -34.1 | 178.5 | 45.7 | 0 | 0 | 0 | 0 | 112.7 | R151 D152 I158 H159 | R151-T155 PolarHBondContact O-N 2.88Å; R151-T155 PolarHBondContact O-OG1 3.05Å; D152-T155 WeakPolarHBondContact CA-OG1 3.24Å; D152-T155 PolarHBondContact O-N 3.23Å; D152-T155 PolarHBondContact O-OG1 3.34Å; D152-T155 VanDerWaalsContact O-OG1 3.14Å; T155-I158 PolarHBondContact O-N 3.48Å; T155-H159 WeakPolarHBondContact O-CB 3.32Å; T155-H159 PolarHBondContact O-N 3.04Å |
| 156 | K | 53.8 | Low | 66 | Low | 129 Ų | 129 | 97.4 Ų | 97.4 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.7 | -38 | 172.5 | -171.2 | 173.5 | -174.1 | 173.2 | 0 | 111.3 | D152 K153 M160 | D152-K156 WeakPolarHBondContact O-CB 3.3Å; D152-K156 PolarHBondContact O-N 3.35Å; K153-K156 PolarHBondContact O-N 3.47Å; K156-M160 WeakPolarHBondContact O-CB 3.31Å; K156-M160 VanDerWaalsContact O-CG 3.23Å; K156-M160 WeakPolarHBondContact O-CG 3.14Å; K156-M160 PolarHBondContact O-N 2.98Å |
| 157 | I | 54.4 | Low | 65.1 | Low | 112 Ų | 112 | 96.9 Ų | 96.9 | 57% | 0.574 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.2 | -43 | 172.1 | -71.5 | 162.4 | 0 | 0 | 0 | 110.9 | K153 E154 R161 | K153-I157 WeakPolarHBondContact O-CB 3.37Å; K153-I157 WeakPolarHBondContact O-CD1 3.45Å; K153-I157 WeakPolarHBondContact O-CG1 3.49Å; K153-I157 PolarHBondContact O-N 2.85Å; E154-I157 PolarHBondContact O-N 3.49Å; I157-R161 VanDerWaalsContact O-CB 3.24Å; I157-R161 WeakPolarHBondContact O-CB 3.41Å; I157-R161 PolarHBondContact O-N 3.45Å |
| 158 | I | 58.1 | Low | 64.6 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.6 | -47.1 | 176 | -68.5 | 164.3 | 0 | 0 | 0 | 110.8 | E154 T155 R161 D162 | E154-I158 WeakPolarHBondContact O-CG1 3.16Å; E154-I158 PolarHBondContact O-N 2.86Å; T155-I158 PolarHBondContact O-N 3.48Å; I158-R161 PolarHBondContact O-N 3.05Å; I158-D162 WeakPolarHBondContact O-CB 3.26Å; I158-D162 PolarHBondContact O-N 2.84Å |
| 159 | H | 55.8 | Low | 64.4 | Low | 119 Ų | 119 | 99.7 Ų | 99.7 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.9 | -42.9 | 178.6 | -175.1 | -107.6 | 0 | 0 | 0 | 112.3 | T155 D162 I163 | T155-H159 WeakPolarHBondContact O-CB 3.32Å; T155-H159 PolarHBondContact O-N 3.04Å; H159-D162 PolarHBondContact O-N 3.34Å; H159-I163 VanDerWaalsContact CE1-CD1 3.49Å; H159-I163 WeakPolarHBondContact CE1-CD1 3.37Å; H159-I163 WeakPolarHBondContact O-CG1 3.34Å; H159-I163 PolarHBondContact O-N 3.42Å |
| 160 | M | 59.9 | Low | 64.1 | Low | 86 Ų | 86 | 99 Ų | 99 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 171.3 | -76.6 | -69.1 | -169.5 | 0 | 0 | 111.6 | K156 D162 I163 Y164 | K156-M160 WeakPolarHBondContact O-CB 3.31Å; K156-M160 VanDerWaalsContact O-CG 3.23Å; K156-M160 WeakPolarHBondContact O-CG 3.14Å; K156-M160 PolarHBondContact O-N 2.98Å; M160-D162 VanDerWaalsContact C-N 3.32Å; M160-D162 PolarHBondContact O-N 3Å; M160-I163 PolarHBondContact O-N 3.41Å; M160-Y164 HydrophobicContact CB-CD2 4.41Å; M160-Y164 HydrophobicContact CB-CE2 4.31Å; M160-Y164 WeakPolarHBondContact O-CD2 3.4Å; M160-Y164 PolarHBondContact O-N 2.88Å; M160-Y164 HydrophobicContact SD-CE2 4.07Å |
| 161 | R | 64.6 | Low | 63.7 | Low | 195 Ų | 195 | 100.5 Ų | 100.5 | 74% | 0.736 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.1 | -37.8 | 179.7 | -168.3 | 178.8 | -164.3 | 161.6 | 6.5 | 112.1 | I157 I158 S165 | I157-R161 VanDerWaalsContact O-CB 3.24Å; I157-R161 WeakPolarHBondContact O-CB 3.41Å; I157-R161 PolarHBondContact O-N 3.45Å; I158-R161 PolarHBondContact O-N 3.05Å; R161-S165 WeakPolarHBondContact O-CB 3.42Å; R161-S165 PolarHBondContact O-N 2.77Å |
| 162 | D | 63.6 | Low | 63.6 | Low | 99 Ų | 99 | 99.6 Ų | 99.6 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 176.7 | -166.6 | 37.4 | 0 | 0 | 0 | 111.7 | I158 H159 M160 S165 T166 | I158-D162 WeakPolarHBondContact O-CB 3.26Å; I158-D162 PolarHBondContact O-N 2.84Å; H159-D162 PolarHBondContact O-N 3.34Å; M160-D162 VanDerWaalsContact C-N 3.32Å; M160-D162 PolarHBondContact O-N 3Å; D162-S165 PolarHBondContact O-N 3.35Å; D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 WeakPolarHBondContact O-CG2 3.23Å; D162-T166 PolarHBondContact O-N 2.89Å; D162-T166 PolarHBondContact O-OG1 2.92Å |
| 163 | I | 71.5 | Confident | 63.7 | Low | 71 Ų | 71 | 99.1 Ų | 99.1 | 36% | 0.364 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 171.8 | -70.9 | 168.1 | 0 | 0 | 0 | 111.1 | H159 M160 T166 V167 | H159-I163 VanDerWaalsContact CE1-CD1 3.49Å; H159-I163 WeakPolarHBondContact CE1-CD1 3.37Å; H159-I163 WeakPolarHBondContact O-CG1 3.34Å; H159-I163 PolarHBondContact O-N 3.42Å; M160-I163 PolarHBondContact O-N 3.41Å; I163-T166 PolarHBondContact O-OG1 3.34Å; I163-T166 VanDerWaalsContact O-OG1 3.05Å; I163-V167 WeakPolarHBondContact O-CB 3.48Å; I163-V167 VanDerWaalsContact O-CG2 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.24Å; I163-V167 PolarHBondContact O-N 3.32Å |
| 164 | Y | 63.2 | Low | 63.8 | Low | 146 Ų | 146 | 101.2 Ų | 101.2 | 57% | 0.573 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.6 | -37.9 | 178.5 | -70.3 | -59.9 | 0 | 0 | 0 | 112.3 | M160 V167 I168 | M160-Y164 HydrophobicContact CB-CD2 4.41Å; M160-Y164 HydrophobicContact CB-CE2 4.31Å; M160-Y164 WeakPolarHBondContact O-CD2 3.4Å; M160-Y164 PolarHBondContact O-N 2.88Å; M160-Y164 HydrophobicContact SD-CE2 4.07Å; Y164-V167 PolarHBondContact O-N 2.9Å; Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.32Å; Y164-I168 WeakPolarHBondContact O-CD1 3.4Å; Y164-I168 WeakPolarHBondContact O-CG1 3.12Å; Y164-I168 PolarHBondContact O-N 2.88Å |
| 165 | S | 65.1 | Low | 64.2 | Low | 72 Ų | 72 | 100.9 Ų | 100.9 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 178.1 | -165.7 | 0 | 0 | 0 | 0 | 112 | R161 D162 I168 D169 | R161-S165 WeakPolarHBondContact O-CB 3.42Å; R161-S165 PolarHBondContact O-N 2.77Å; D162-S165 PolarHBondContact O-N 3.35Å; S165-I168 PolarHBondContact O-N 2.81Å; S165-D169 VanDerWaalsContact O-CB 3.31Å; S165-D169 WeakPolarHBondContact O-CB 3.19Å; S165-D169 PolarHBondContact O-N 3.18Å |
| 166 | T | 70.4 | Confident | 64.6 | Low | 64 Ų | 64 | 103.5 Ų | 103.5 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.8 | -38.2 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | D162 I163 D169 I170 | D162-T166 WeakPolarHBondContact O-CB 3.35Å; D162-T166 WeakPolarHBondContact O-CG2 3.23Å; D162-T166 PolarHBondContact O-N 2.89Å; D162-T166 PolarHBondContact O-OG1 2.92Å; I163-T166 PolarHBondContact O-OG1 3.34Å; I163-T166 VanDerWaalsContact O-OG1 3.05Å; T166-D169 PolarHBondContact O-N 3.39Å; T166-I170 VanDerWaalsContact O-CB 3.32Å; T166-I170 WeakPolarHBondContact O-CB 3.49Å; T166-I170 WeakPolarHBondContact O-CD1 3.43Å; T166-I170 WeakPolarHBondContact O-CG1 3.49Å; T166-I170 PolarHBondContact O-N 2.79Å |
| 167 | V | 69.6 | Low | 64.7 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 111.8 | I163 Y164 I170 H171 | I163-V167 WeakPolarHBondContact O-CB 3.48Å; I163-V167 VanDerWaalsContact O-CG2 3.26Å; I163-V167 WeakPolarHBondContact O-CG2 3.24Å; I163-V167 PolarHBondContact O-N 3.32Å; Y164-V167 PolarHBondContact O-N 2.9Å; V167-I170 PolarHBondContact O-N 3.47Å; V167-H171 WeakPolarHBondContact O-CB 3.14Å; V167-H171 PolarHBondContact O-CD2 3.35Å; V167-H171 PolarHBondContact O-N 2.97Å |
| 168 | I | 71.4 | Confident | 64.7 | Low | 108 Ų | 108 | 103 Ų | 103 | 55% | 0.554 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 176.3 | -70.9 | 164.7 | 0 | 0 | 0 | 110.8 | Y164 S165 H171 T172 | Y164-I168 VanDerWaalsContact O-CB 3.3Å; Y164-I168 WeakPolarHBondContact O-CB 3.32Å; Y164-I168 WeakPolarHBondContact O-CD1 3.4Å; Y164-I168 WeakPolarHBondContact O-CG1 3.12Å; Y164-I168 PolarHBondContact O-N 2.88Å; S165-I168 PolarHBondContact O-N 2.81Å; I168-H171 PolarHBondContact O-N 3.45Å; I168-T172 VanDerWaalsContact O-CB 3.31Å; I168-T172 WeakPolarHBondContact O-CB 3.17Å; I168-T172 PolarHBondContact O-N 2.79Å; I168-T172 PolarHBondContact O-OG1 3.2Å |
| 169 | D | 71.7 | Confident | 64.5 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.5 | -171.3 | 46.7 | 0 | 0 | 0 | 111.4 | S165 T166 H171 T172 L173 | S165-D169 VanDerWaalsContact O-CB 3.31Å; S165-D169 WeakPolarHBondContact O-CB 3.19Å; S165-D169 PolarHBondContact O-N 3.18Å; T166-D169 PolarHBondContact O-N 3.39Å; D169-H171 VanDerWaalsContact C-N 3.29Å; D169-H171 PolarHBondContact O-N 3.18Å; D169-T172 CarbonylContact O-C 3.55Å; D169-T172 PolarHBondContact O-N 2.64Å; D169-T172 VanDerWaalsContact O-N 3.07Å; D169-L173 VanDerWaalsContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CB 3.25Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.22Å; D169-L173 PolarHBondContact O-N 2.91Å; D169-L173 WeakPolarHBondContact OD2-CD1 3.31Å |
| 170 | I | 75.3 | Confident | 64.5 | Low | 90 Ų | 90 | 108 Ų | 108 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 174.2 | -72.4 | 163.7 | 0 | 0 | 0 | 111.8 | T166 V167 R174 | T166-I170 VanDerWaalsContact O-CB 3.32Å; T166-I170 WeakPolarHBondContact O-CB 3.49Å; T166-I170 WeakPolarHBondContact O-CD1 3.43Å; T166-I170 WeakPolarHBondContact O-CG1 3.49Å; T166-I170 PolarHBondContact O-N 2.79Å; V167-I170 PolarHBondContact O-N 3.47Å; I170-R174 PolarHBondContact O-N 3.06Å |
| 171 | H | 67.7 | Low | 64.1 | Low | 92 Ų | 92 | 108.9 Ų | 108.9 | 43% | 0.426 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | 173.8 | -90.9 | -107.6 | 0 | 0 | 0 | 112.2 | V167 I168 D169 R174 I175 | V167-H171 WeakPolarHBondContact O-CB 3.14Å; V167-H171 PolarHBondContact O-CD2 3.35Å; V167-H171 PolarHBondContact O-N 2.97Å; I168-H171 PolarHBondContact O-N 3.45Å; D169-H171 VanDerWaalsContact C-N 3.29Å; D169-H171 PolarHBondContact O-N 3.18Å; H171-R174 PolarHBondContact CD2-NH2 2.85Å; H171-R174 VanDerWaalsContact CD2-NH2 3.34Å; H171-R174 PolarHBondContact NE2-NH2 3.37Å; H171-R174 PolarHBondContact O-N 2.89Å; H171-I175 WeakPolarHBondContact O-CB 3.36Å; H171-I175 WeakPolarHBondContact O-CD1 3.23Å; H171-I175 VanDerWaalsContact O-CG1 3.24Å; H171-I175 WeakPolarHBondContact O-CG1 3.35Å; H171-I175 PolarHBondContact O-N 3.48Å |
| 172 | T | 67.1 | Low | 63.4 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 47% | 0.472 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | I168 D169 I175 K176 | I168-T172 VanDerWaalsContact O-CB 3.31Å; I168-T172 WeakPolarHBondContact O-CB 3.17Å; I168-T172 PolarHBondContact O-N 2.79Å; I168-T172 PolarHBondContact O-OG1 3.2Å; D169-T172 CarbonylContact O-C 3.55Å; D169-T172 PolarHBondContact O-N 2.64Å; D169-T172 VanDerWaalsContact O-N 3.07Å; T172-I175 PolarHBondContact O-N 3.22Å; T172-K176 WeakPolarHBondContact O-CB 3.24Å; T172-K176 PolarHBondContact O-N 3.28Å |
| 173 | L | 64.4 | Low | 62.8 | Low | 86 Ų | 86 | 102.5 Ų | 102.5 | 45% | 0.45 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -48.3 | 175 | -71.5 | 170.9 | 0 | 0 | 0 | 111.4 | D169 I175 K176 E177 | D169-L173 VanDerWaalsContact O-CB 3.3Å; D169-L173 WeakPolarHBondContact O-CB 3.25Å; D169-L173 VanDerWaalsContact O-CG 3.24Å; D169-L173 WeakPolarHBondContact O-CG 3.22Å; D169-L173 PolarHBondContact O-N 2.91Å; D169-L173 WeakPolarHBondContact OD2-CD1 3.31Å; L173-I175 PolarHBondContact O-N 2.79Å; L173-K176 PolarHBondContact O-N 3.2Å; L173-E177 VanDerWaalsContact O-CB 3.25Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 PolarHBondContact O-N 3.5Å |
| 174 | R | 61.8 | Low | 61.6 | Low | 130 Ų | 130 | 106.5 Ų | 106.5 | 49% | 0.491 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 174.7 | -95.7 | -168.8 | -72.3 | 129 | 0.2 | 112.7 | I170 H171 K176 E177 Q178 | I170-R174 PolarHBondContact O-N 3.06Å; H171-R174 PolarHBondContact CD2-NH2 2.85Å; H171-R174 VanDerWaalsContact CD2-NH2 3.34Å; H171-R174 PolarHBondContact NE2-NH2 3.37Å; H171-R174 PolarHBondContact O-N 2.89Å; R174-K176 VanDerWaalsContact C-N 3.35Å; R174-E177 PolarHBondContact O-N 3.43Å; R174-Q178 WeakPolarHBondContact O-CB 3.49Å; R174-Q178 PolarHBondContact O-N 3.43Å |
| 175 | I | 65.1 | Low | 60.7 | Low | 109 Ų | 109 | 109.8 Ų | 109.8 | 56% | 0.559 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.3 | -38.6 | 176.2 | -70.9 | 166.5 | 0 | 0 | 0 | 110.9 | H171 T172 L173 R179 | H171-I175 WeakPolarHBondContact O-CB 3.36Å; H171-I175 WeakPolarHBondContact O-CD1 3.23Å; H171-I175 VanDerWaalsContact O-CG1 3.24Å; H171-I175 WeakPolarHBondContact O-CG1 3.35Å; H171-I175 PolarHBondContact O-N 3.48Å; T172-I175 PolarHBondContact O-N 3.22Å; L173-I175 PolarHBondContact O-N 2.79Å; I175-R179 VanDerWaalsContact O-CB 3.31Å; I175-R179 WeakPolarHBondContact O-CB 3.3Å; I175-R179 PolarHBondContact O-N 2.98Å |
| 176 | K | 61.3 | Low | 59.9 | Low | 121 Ų | 121 | 112.5 Ų | 112.5 | 53% | 0.526 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.3 | -42.2 | 176.5 | -175.2 | 178.8 | -180 | -177.9 | 0 | 112.1 | T172 L173 R174 R179 Q180 | T172-K176 WeakPolarHBondContact O-CB 3.24Å; T172-K176 PolarHBondContact O-N 3.28Å; L173-K176 PolarHBondContact O-N 3.2Å; R174-K176 VanDerWaalsContact C-N 3.35Å; K176-R179 CarbonylContact O-C 3.24Å; K176-R179 PolarHBondContact O-N 2.87Å; K176-Q180 WeakPolarHBondContact O-CG 3.38Å; K176-Q180 PolarHBondContact O-N 2.73Å |
| 177 | E | 57.3 | Low | 58.6 | Low | 116 Ų | 116 | 112.8 Ų | 112.8 | 54% | 0.542 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.9 | -45.7 | 174.7 | -175.5 | 173.9 | -143.6 | 0 | 0 | 110.9 | L173 R174 R179 Q180 M181 | L173-E177 VanDerWaalsContact O-CB 3.25Å; L173-E177 WeakPolarHBondContact O-CB 3.38Å; L173-E177 PolarHBondContact O-N 3.5Å; R174-E177 PolarHBondContact O-N 3.43Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.91Å; E177-Q180 PolarHBondContact O-N 2.73Å; E177-M181 HydrophobicContact CG-CE 3.96Å; E177-M181 PolarHBondContact O-N 2.83Å |
| 178 | Q | 53.8 | Low | 57.4 | Low | 113 Ų | 113 | 117.2 Ų | 117.2 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.3 | -36 | 173.5 | -167.1 | 172.5 | 7.8 | 0 | 0 | 112.1 | R174 M181 N182 | R174-Q178 WeakPolarHBondContact O-CB 3.49Å; R174-Q178 PolarHBondContact O-N 3.43Å; Q178-M181 VanDerWaalsContact O-CG 3.23Å; Q178-M181 WeakPolarHBondContact O-CG 3.49Å; Q178-N182 WeakPolarHBondContact O-CB 3.15Å; Q178-N182 PolarHBondContact O-N 3.3Å; Q178-N182 VanDerWaalsContact O-N 3.15Å; Q178-N182 PolarHBondContact O-OD1 2.95Å |
| 179 | R | 54.4 | Low | 55.8 | Low | 206 Ų | 206 | 121.4 Ų | 121.4 | 78% | 0.777 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.8 | -26.9 | 173.6 | -162.7 | 172.2 | -172.1 | 173.9 | 3.2 | 113 | I175 K176 E177 G183 | I175-R179 VanDerWaalsContact O-CB 3.31Å; I175-R179 WeakPolarHBondContact O-CB 3.3Å; I175-R179 PolarHBondContact O-N 2.98Å; K176-R179 CarbonylContact O-C 3.24Å; K176-R179 PolarHBondContact O-N 2.87Å; E177-R179 VanDerWaalsContact C-N 3.29Å; E177-R179 PolarHBondContact O-N 2.91Å; R179-G183 PolarHBondContact O-N 3.39Å; R179-G183 VanDerWaalsContact O-N 3.15Å |
| 180 | Q | 54.5 | Low | 54 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -77.3 | -42.1 | 175.3 | -78.1 | 177.8 | -36.4 | 0 | 0 | 112.2 | K176 E177 G183 | K176-Q180 WeakPolarHBondContact O-CG 3.38Å; K176-Q180 PolarHBondContact O-N 2.73Å; E177-Q180 PolarHBondContact O-N 2.73Å; Q180-G183 PolarHBondContact O-N 3.07Å |
| 181 | M | 52.3 | Low | 52.1 | Low | 106 Ų | 106 | 125.4 Ų | 125.4 | 52% | 0.522 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.6 | -40.7 | 173.2 | 64.8 | -175.6 | 70.8 | 0 | 0 | 111.9 | E177 Q178 G183 M184 | E177-M181 HydrophobicContact CG-CE 3.96Å; E177-M181 PolarHBondContact O-N 2.83Å; Q178-M181 VanDerWaalsContact O-CG 3.23Å; Q178-M181 WeakPolarHBondContact O-CG 3.49Å; M181-G183 PolarHBondContact O-N 3.47Å; M181-M184 PolarHBondContact O-N 3.01Å |
| 182 | N | 50.3 | Low | 50.6 | Low | 104 Ų | 104 | 127.8 Ų | 127.8 | 56% | 0.556 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69.9 | -18.9 | 175.4 | -70.3 | 1.8 | 0 | 0 | 0 | 113.2 | Q178 M184 | Q178-N182 WeakPolarHBondContact O-CB 3.15Å; Q178-N182 PolarHBondContact O-N 3.3Å; Q178-N182 VanDerWaalsContact O-N 3.15Å; Q178-N182 PolarHBondContact O-OD1 2.95Å; N182-M184 VanDerWaalsContact C-N 3.35Å |
| 183 | G | 51.1 | Low | 49.1 | Very low | 55 Ų | 55 | 133.1 Ų | 133.1 | 57% | 0.567 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -77 | -16.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R179 Q180 M181 | R179-G183 PolarHBondContact O-N 3.39Å; R179-G183 VanDerWaalsContact O-N 3.15Å; Q180-G183 PolarHBondContact O-N 3.07Å; M181-G183 PolarHBondContact O-N 3.47Å |
| 184 | M | 45 | Very low | 47.8 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 77% | 0.768 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83.9 | -22 | -174.2 | -154.5 | 69.3 | 78.2 | 0 | 0 | 113.8 | M181 N182 | M181-M184 PolarHBondContact O-N 3.01Å; N182-M184 VanDerWaalsContact C-N 3.35Å |
| 185 | Y | 45.8 | Very low | 46.5 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 84% | 0.839 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -96.1 | -10.4 | -171.8 | -83.3 | -83.6 | 0 | 0 | 0 | 115.2 | | |
| 186 | T | 48 | Very low | 44.8 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -97.3 | 18 | -177.2 | -28.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 187 | G | 43.8 | Very low | 43.4 | Very low | 69 Ų | 69 | 145.4 Ų | 145.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -104.5 | 3.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 188 | L | 44.1 | Very low | 42.2 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -138 | 50.1 | -168.5 | -158.2 | 78.8 | 0 | 0 | 0 | 114.8 | | |
| 189 | M | 37.8 | Very low | 41.2 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -161.6 | 146.3 | 156.3 | -109.7 | -166.9 | 86.7 | 0 | 0 | 110.4 | | |
| 190 | G | 33.6 | Very low | 40.4 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 105.5 | 52.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 191 | E | 36 | Very low | 39.6 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -81.9 | 129.7 | 152.9 | 179 | 177.3 | -123.5 | 0 | 0 | 109.2 | | |
| 192 | T | 35.7 | Very low | 38.9 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -173.6 | 141.7 | 152 | 9.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 193 | E | 35.2 | Very low | 38.4 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | trans | -88.2 | 130.8 | -173.2 | -53.7 | 177.4 | 109.9 | 0 | 0 | 112.8 | | |
| 194 | V | 37.4 | Very low | 37.8 | Very low | 152 Ų | 152 | 148.4 Ų | 148.4 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | | | trans | -138.6 | 135 | 153.1 | -179 | 0 | 0 | 0 | 0 | 109.2 | | |
| 195 | K | 33.4 | Very low | 37.6 | Very low | 201 Ų | 201 | 148.8 Ų | 148.8 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | | | trans | -124.9 | 95.3 | -165.4 | 177.9 | -171.3 | 179.6 | 179.1 | 0 | 111.3 | | |
| 196 | Q | 31 | Very low | 37.2 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 84% | 0.839 | S | S | * | * | | | trans | -155.9 | 148.7 | 160.5 | -121.6 | 171.4 | 15 | 0 | 0 | 115.7 | | |
| 197 | N | 30.5 | Very low | 36.5 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 88% | 0.882 | 84% | 0.835 | S | S | * | * | | | trans | -42.5 | 138.1 | -171.5 | -54 | -11.1 | 0 | 0 | 0 | 117.6 | | |
| 198 | G | 33 | Very low | 36.1 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | | | trans | -168.6 | 120.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 199 | S | 31.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 83% | 0.834 | S | S | * | * | | | trans | -34.5 | 127.7 | -176 | 51.8 | 0 | 0 | 0 | 0 | 117.5 | C201 | S199-C201 PolarHBondContact O-N 3.34Š|
| 200 | S | 38.3 | Very low | 35.7 | Very low | 122 Ų | 122 | 141 Ų | 141 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | | | trans | -68.6 | 118.2 | 167.4 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 201 | C | 37.3 | Very low | 35.5 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | | | trans | -130.1 | 125.6 | 163.7 | -92.5 | 0 | 0 | 0 | 0 | 109.5 | S199 | S199-C201 PolarHBondContact O-N 3.34Š|
| 202 | A | 37.5 | Very low | 35.1 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | | | trans | -92.9 | 140.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 203 | S | 40.5 | Very low | 34.8 | Very low | 119 Ų | 119 | 141.8 Ų | 141.8 | 83% | 0.832 | 83% | 0.826 | S | S | * | * | | | trans | -134.4 | 51.1 | 164.3 | -77.7 | 0 | 0 | 0 | 0 | 111.7 | L205 | S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.42Å; S203-L205 VanDerWaalsContact O-N 3.15Å |
| 204 | R | 37.4 | Very low | 34.4 | Very low | 247 Ų | 247 | 138.7 Ų | 138.7 | 93% | 0.932 | 83% | 0.825 | S | S | * | * | | | trans | -80.7 | 75.3 | 164.4 | -72.7 | -177.5 | 68.6 | -150.8 | 2.1 | 109.7 | A206 | R204-A206 PolarHBondContact O-N 2.87Š|
| 205 | L | 41.7 | Very low | 33.9 | Very low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | | | trans | -72.6 | 122.3 | 169.4 | -72.9 | 175.4 | 0 | 0 | 0 | 109.9 | S203 | S203-L205 VanDerWaalsContact C-N 3.29Å; S203-L205 PolarHBondContact O-N 3.42Å; S203-L205 VanDerWaalsContact O-N 3.15Å |
| 206 | A | 36.6 | Very low | 33.6 | Very low | 87 Ų | 87 | 134.1 Ų | 134.1 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | | | trans | -58.6 | 136.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R204 | R204-A206 PolarHBondContact O-N 2.87Š|
| 207 | A | 34.2 | Very low | 33.5 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | | 59.2 | 61 | 59 | 0 | 0 | 0 | 0 | 0 | 112.2 | T209 | A207-T209 PolarHBondContact O-N 2.89Š|
| 208 | N | 35 | Very low | 33.3 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -84.6 | 84.2 | 171.3 | -161.6 | -5.3 | 0 | 0 | 0 | 109.7 | | |
| 209 | T | 33.5 | Very low | 32.9 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | -119 | 92.8 | -179.3 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | A207 A211 | A207-T209 PolarHBondContact O-N 2.89Å; T209-A211 PolarHBondContact O-N 3.1Å |
| 210 | I | 40 | Very low | 32.7 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -87.6 | 97.3 | -177.8 | -11.1 | 175.6 | 0 | 0 | 0 | 110.3 | | |
| 211 | A | 29.7 | Very low | 32.2 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | | | trans | -155.8 | 134.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T209 | T209-A211 PolarHBondContact O-N 3.1Š|
| 212 | S | 28.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 142.9 Ų | 142.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | 56.4 | 104.3 | 158.5 | -55 | 0 | 0 | 0 | 0 | 119.2 | | |
| 213 | F | 28.4 | Very low | 31.1 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 97% | 0.969 | 79% | 0.794 | S | S | * | * | | | trans | -108.3 | 139.5 | 147.2 | -94.7 | -80 | 0 | 0 | 0 | 110.3 | | |
| 214 | S | 26.6 | Very low | 30.5 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | -155.5 | 139.6 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 215 | G | 26.9 | Very low | 29.9 | Very low | 65 Ų | 65 | 136.9 Ų | 136.9 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | | | trans | 103.2 | 114.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 216 | F | 27 | Very low | 29.4 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | | 89.9 | 134.1 | 78.2 | -154 | -134.8 | 0 | 0 | 0 | 109.6 | | |
| 217 | R | 28.8 | Very low | 29.2 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | cis | -170.2 | 137.8 | 41.9 | -177 | 175.1 | -170.7 | -134.1 | 1.9 | 112.9 | | |
| 218 | S | 26.2 | Very low | 29.2 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 63.4 | 150.7 | 149.7 | -176.2 | 0 | 0 | 0 | 0 | 119 | | |
| 219 | S | 26.1 | Very low | 29 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | cis | -171.4 | 141.4 | -20.4 | 167.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 220 | F | 26.5 | Very low | 29 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -154.4 | 172.2 | 134 | -131.6 | -97.2 | 0 | 0 | 0 | 110.8 | | |
| 221 | R | 26.9 | Very low | 28.5 | Very low | 200 Ų | 200 | 144 Ų | 144 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | -75.3 | 144.9 | -156 | -55 | 175.6 | -163.7 | -164.2 | 1.9 | 114.9 | | |
| 222 | M | 28.8 | Very low | 28.3 | Very low | 183 Ų | 183 | 147.7 Ų | 147.7 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -88.5 | 144.2 | 144 | -173.1 | 84.4 | 163.6 | 0 | 0 | 107.2 | | |
| 223 | D | 23.4 | Very low | 28.4 | Very low | 137 Ų | 137 | 148.7 Ų | 148.7 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | trans | -141.3 | 165.5 | 166.5 | -138.3 | -33.6 | 0 | 0 | 0 | 109.4 | | |
| 224 | S | 27.8 | Very low | 28.4 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -131.5 | 151.5 | -152.6 | 60 | 0 | 0 | 0 | 0 | 118.6 | | |
| 225 | S | 25.7 | Very low | 28.4 | Very low | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | 75.3 | 146 | 143.4 | 66.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 226 | V | 31.2 | Very low | 28.5 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | | | trans | 63.6 | 148.9 | 166.1 | -124.8 | 0 | 0 | 0 | 0 | 114 | | |
| 227 | E | 32.1 | Very low | 28.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | cis | -124.9 | 147 | 16.3 | -46.2 | -87.1 | 104 | 0 | 0 | 109.5 | | |
| 228 | E | 33.4 | Very low | 28.6 | Very low | 177 Ų | 177 | 142.1 Ų | 142.1 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | | | | 74.1 | 141.7 | 77.5 | -51.3 | -139.1 | 129.9 | 0 | 0 | 118.3 | | |
| 229 | D | 32.5 | Very low | 28.7 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | 88.1 | 158.3 | 160.7 | -132 | -7.9 | 0 | 0 | 0 | 123.1 | | |
| 230 | E | 32.3 | Very low | 28.8 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | -103.3 | 171.2 | -155 | -61.3 | -168.2 | 124.8 | 0 | 0 | 117.3 | | |
| 231 | L | 28.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | | 142.5 | 98 | 127.5 | -72.7 | 177.2 | 0 | 0 | 0 | 117 | | |
| 232 | M | 27.1 | Very low | 28.9 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | | 48.3 | 131.8 | 119.5 | -83.6 | -64.6 | -147.1 | 0 | 0 | 124.4 | | |
| 233 | L | 29.8 | Very low | 29.1 | Very low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | | | trans | 74.3 | 153.5 | 150.1 | -58 | 167.7 | 0 | 0 | 0 | 117.6 | | |
| 234 | N | 28.7 | Very low | 30.1 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | cis | -152.1 | -177.6 | 2.4 | -138.1 | -19.9 | 0 | 0 | 0 | 115.3 | | |
| 235 | E | 27.2 | Very low | 30.8 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | | | trans | -51.7 | 151.3 | 178.2 | -133.9 | -141.6 | 107.7 | 0 | 0 | 118.2 | K237 | E235-K237 VanDerWaalsContact OE1-CD 3.28Å; E235-K237 WeakPolarHBondContact OE1-CD 3.33Å; E235-K237 WeakPolarHBondContact OE1-CE 3.31Å; E235-K237 WeakPolarHBondContact OE1-CG 3.05Å; E235-K237 IonicContact OE1-NZ 2.84Å; E235-K237 PolarHBondContact OE1-NZ 3.42Å; E235-K237 IonicContact OE2-NZ 2.76Å; E235-K237 PolarHBondContact OE2-NZ 3.41Å |
| 236 | S | 28.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 138.8 Ų | 138.8 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | | -165.2 | 138.6 | 125.4 | 70 | 0 | 0 | 0 | 0 | 114.7 | | |
| 237 | K | 31.5 | Very low | 31.1 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | | | trans | -69.1 | 157.1 | 177.4 | -57.7 | 124.1 | 174.8 | 121.8 | 0 | 114.6 | E235 | E235-K237 VanDerWaalsContact OE1-CD 3.28Å; E235-K237 WeakPolarHBondContact OE1-CD 3.33Å; E235-K237 WeakPolarHBondContact OE1-CE 3.31Å; E235-K237 WeakPolarHBondContact OE1-CG 3.05Å; E235-K237 IonicContact OE1-NZ 2.84Å; E235-K237 PolarHBondContact OE1-NZ 3.42Å; E235-K237 IonicContact OE2-NZ 2.76Å; E235-K237 PolarHBondContact OE2-NZ 3.41Å |
| 238 | S | 26.5 | Very low | 31 | Very low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | | 162.8 | 144.5 | 105.2 | -164.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 239 | S | 28 | Very low | 30.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -24.4 | 153.8 | 162.1 | -167.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 240 | G | 28.4 | Very low | 30.6 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | 179.2 | 110.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 241 | H | 27.6 | Very low | 30.7 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 78% | 0.778 | 75% | 0.75 | S | S | * | * | | | trans | -74.5 | 149.7 | 179.4 | -95.6 | -123.9 | 0 | 0 | 0 | 116 | | |
| 242 | L | 29 | Very low | 30.8 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | | | trans | 57.9 | 118.3 | 138.5 | -61.9 | 169.9 | 0 | 0 | 0 | 123.1 | | |
| 243 | M | 32.5 | Very low | 30.8 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | | | trans | 74.4 | 142.7 | 142.9 | -67.8 | -70.2 | 104.8 | 0 | 0 | 121.7 | | |
| 244 | P | 44.6 | Very low | 31.2 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | | | trans | -94 | 174.5 | 175.5 | 40.7 | -36.8 | 0 | 0 | 0 | 112.7 | | |
| 245 | P | 41.8 | Very low | 31.3 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | | -158.4 | 156.7 | 112.1 | 39.2 | -20.5 | 0 | 0 | 0 | 118.9 | | |
| 246 | L | 28.5 | Very low | 31.5 | Very low | 156 Ų | 156 | 123.6 Ų | 123.6 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | trans | 68.2 | 156 | 152.9 | -58.2 | 155.3 | 0 | 0 | 0 | 117.9 | | |
| 247 | L | 34 | Very low | 31.5 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | cis | -159.3 | -176.9 | -3 | -125.3 | 170.1 | 0 | 0 | 0 | 111.9 | | |
| 248 | S | 29.8 | Very low | 31.4 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | | | trans | 77.7 | 133.9 | 168.3 | -176.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 249 | D | 26.9 | Very low | 32.2 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | cis | -156.9 | 168.7 | -3.1 | -123.1 | -55.4 | 0 | 0 | 0 | 116.1 | | |
| 250 | S | 32.3 | Very low | 32.8 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 75% | 0.751 | S | S | * | * | | | trans | 68.6 | 112.1 | 157.4 | -104.7 | 0 | 0 | 0 | 0 | 125 | | |
| 251 | S | 32.9 | Very low | 32.9 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | | 68.7 | 153.1 | 118 | -52.5 | 0 | 0 | 0 | 0 | 123.4 | | |
| 252 | A | 32 | Very low | 33 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | cis | -179.9 | 120.5 | -48.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 253 | S | 26.8 | Very low | 33.1 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | -173.5 | 123.9 | 155.4 | -162.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 254 | V | 38.6 | Very low | 33 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | | | cis | 87 | 127 | 32.5 | -175.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 255 | F | 30.8 | Very low | 32.3 | Very low | 190 Ų | 190 | 127.9 Ų | 127.9 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | | | cis | -143.9 | 173.3 | 9.1 | -126.4 | -41.6 | 0 | 0 | 0 | 112.1 | | |
| 256 | G | 30.3 | Very low | 31.8 | Very low | 60 Ų | 60 | 129.8 Ų | 129.8 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | | | trans | -155.7 | 157.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 257 | L | 29.4 | Very low | 31.9 | Very low | 163 Ų | 163 | 129.6 Ų | 129.6 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | -150 | 158.2 | -178.3 | -60.8 | 170.8 | 0 | 0 | 0 | 109.3 | | |
| 258 | Y | 28.1 | Very low | 31.8 | Very low | 207 Ų | 207 | 132.2 Ų | 132.2 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | cis | 172.9 | 129 | -29.5 | -160.4 | -83.3 | 0 | 0 | 0 | 104.7 | | |
| 259 | P | 43.9 | Very low | 31.8 | Very low | 105 Ų | 105 | 134 Ų | 134 | 68% | 0.682 | 77% | 0.774 | S | S | * | * | | | trans | -94.6 | 157.7 | 178.6 | 36.9 | -34.1 | 0 | 0 | 0 | 112.4 | | |
| 260 | P | 40 | Very low | 31.9 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | | -161.4 | 179.7 | 104 | 41.4 | -22 | 0 | 0 | 0 | 118.6 | | |
| 261 | S | 30.2 | Very low | 31.7 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | 87.4 | 166.8 | 148.9 | 81.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 262 | S | 31.6 | Very low | 31.6 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -154.7 | 148 | -158.1 | 55.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 263 | K | 30.7 | Very low | 31.7 | Very low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 176.8 | 127.2 | 145.3 | -104.7 | 169.1 | -176.6 | -178.8 | 0 | 115.2 | | |
| 264 | T | 30.1 | Very low | 31.8 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | 53.1 | 154.4 | 139.2 | 55.2 | 0 | 0 | 0 | 0 | 125 | | |
| 265 | T | 30.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | | | trans | 75.5 | 93.6 | 155.4 | 38.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 266 | D | 30.2 | Very low | 31.3 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | | 55.6 | 144.5 | 119.6 | -50.2 | -23.7 | 0 | 0 | 0 | 124.8 | | |
| 267 | D | 30.3 | Very low | 31.5 | Very low | 152 Ų | 152 | 145.1 Ų | 145.1 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | 48.8 | 100.9 | 154.4 | -74.9 | -5.9 | 0 | 0 | 0 | 121.6 | | |
| 268 | K | 32.9 | Very low | 31.7 | Very low | 208 Ų | 208 | 146.2 Ų | 146.2 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | | -167.1 | 152.7 | 97.3 | -111.8 | 164.6 | -176.4 | 160.8 | 0 | 117.3 | | |
| 269 | T | 29.3 | Very low | 31.8 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -65.3 | 131.8 | 174.6 | -46 | 0 | 0 | 0 | 0 | 113.6 | | |
| 270 | S | 29.2 | Very low | 31.6 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | | 165.7 | 145.7 | 117.5 | 52.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 271 | G | 27.8 | Very low | 31.5 | Very low | 70 Ų | 70 | 145.4 Ų | 145.4 | 72% | 0.722 | 81% | 0.814 | S | S | * | * | | | trans | 68.2 | 89.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 272 | S | 31.6 | Very low | 31.4 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | | 168.4 | 141.1 | 92 | 53.4 | 0 | 0 | 0 | 0 | 115.8 | K274 | S272-K274 PolarHBondContact O-N 3.33Š|
| 273 | K | 32.3 | Very low | 31.6 | Very low | 206 Ų | 206 | 144 Ų | 144 | 90% | 0.896 | 81% | 0.805 | S | S | * | * | | | trans | 30.5 | 82.4 | 150.7 | -61.9 | -177.5 | 180 | 179.1 | 0 | 118.4 | | |
| 274 | K | 28.8 | Very low | 32 | Very low | 212 Ų | 212 | 139.4 Ų | 139.4 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | | | trans | -59 | 130.4 | 154.9 | -167 | 177.3 | -172.6 | 178.9 | 0 | 109.6 | S272 | S272-K274 PolarHBondContact O-N 3.33Š|
| 275 | C | 30.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -124.1 | 160 | 170 | -136.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 276 | E | 28.5 | Very low | 32.7 | Very low | 196 Ų | 196 | 140.9 Ų | 140.9 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | | | trans | -92.8 | 153.6 | -147.1 | -162.6 | 162.3 | -178 | 0 | 0 | 115.1 | | |
| 277 | T | 34.8 | Very low | 33 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 68% | 0.675 | 80% | 0.8 | S | S | * | * | | | trans | -111.4 | 128.2 | -178.4 | -37.1 | 0 | 0 | 0 | 0 | 110 | | |
| 278 | K | 33.5 | Very low | 33.5 | Very low | 187 Ų | 187 | 139.4 Ų | 139.4 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | | 163 | 140.9 | 126.4 | -85.6 | 149.2 | -162.7 | 172.3 | 0 | 113.7 | | |
| 279 | S | 31.1 | Very low | 34.2 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 11 | 122.1 | 139.3 | -169.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 280 | I | 39.7 | Very low | 34.6 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | -123.3 | 88.1 | 157.3 | -53.3 | 179 | 0 | 0 | 0 | 109 | | |
| 281 | V | 36.9 | Very low | 35.3 | Very low | 140 Ų | 140 | 137 Ų | 137 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | -100.7 | 122.3 | 142.5 | 174.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 282 | S | 29.6 | Very low | 35.8 | Very low | 107 Ų | 107 | 140.2 Ų | 140.2 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -145.9 | 145.5 | 170.6 | -165.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 283 | S | 34.1 | Very low | 36.7 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | | | trans | -97.3 | 157.7 | -173.9 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 284 | S | 39.5 | Very low | 37.5 | Very low | 97 Ų | 97 | 140.2 Ų | 140.2 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | 43.2 | 112.5 | 146.5 | 60.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 285 | I | 40 | Very low | 38.9 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 84% | 0.841 | 78% | 0.783 | S | S | * | * | | | | -177.7 | 134.4 | 114 | -92.7 | 152.4 | 0 | 0 | 0 | 109.2 | | |
| 286 | S | 35.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | -146.3 | 108.7 | 165.6 | -170.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 287 | A | 37.8 | Very low | 40.4 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | | | trans | -114.3 | 84.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 288 | F | 40.7 | Very low | 40.8 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -96.5 | 94.1 | 173.7 | -85.9 | -81.1 | 0 | 0 | 0 | 111.8 | | |
| 289 | T | 46.1 | Very low | 41.1 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | 32.2 | 101.3 | 148 | 58.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 290 | L | 39.3 | Very low | 41.6 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -84 | 146.5 | 160.2 | -67 | 175.7 | 0 | 0 | 0 | 111 | | |
| 291 | P | 42.7 | Very low | 41.5 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | -73.1 | 127.2 | 174.8 | 29.6 | -33.5 | 0 | 0 | 0 | 111.3 | I293 | P291-I293 PolarHBondContact O-N 3.15Š|
| 292 | V | 38.2 | Very low | 41.8 | Very low | 139 Ų | 139 | 135.4 Ų | 135.4 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | trans | -74 | 108.9 | -179.3 | 180 | 0 | 0 | 0 | 0 | 110.7 | K294 | V292-K294 PolarHBondContact O-N 3.49Š|
| 293 | I | 50.2 | Low | 42.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -78.5 | 107.3 | 169.1 | -61.5 | 176.5 | 0 | 0 | 0 | 108.1 | P291 L295 | P291-I293 PolarHBondContact O-N 3.15Å; I293-L295 HydrophobicContact CG2-CD2 4.26Å; I293-L295 PolarHBondContact O-N 3.15Å |
| 294 | K | 50.2 | Low | 42.4 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -74.7 | 101.4 | 177.8 | -176.8 | 177.6 | 178.2 | 178.6 | 0 | 110.3 | V292 | V292-K294 PolarHBondContact O-N 3.49Š|
| 295 | L | 58.1 | Low | 42.5 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -76.8 | 144.4 | 169.2 | -61.6 | 179.7 | 0 | 0 | 0 | 110.5 | I293 | I293-L295 HydrophobicContact CG2-CD2 4.26Å; I293-L295 PolarHBondContact O-N 3.15Å |
| 296 | N | 45.6 | Very low | 42.4 | Very low | 137 Ų | 137 | 137.3 Ų | 137.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -90.7 | 117.4 | -179.7 | -75.6 | -33.1 | 0 | 0 | 0 | 111 | C298 | N296-C298 PolarHBondContact O-N 2.92Å; N296-C298 VanDerWaalsContact O-N 3.1Å |
| 297 | N | 45.2 | Very low | 42.4 | Very low | 152 Ų | 152 | 139.3 Ų | 139.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | 32 | 63.4 | 149.6 | -154.3 | 75.1 | 0 | 0 | 0 | 117.7 | | |
| 298 | C | 42.3 | Very low | 42.3 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -94.4 | 109.6 | 155.9 | -66.3 | 0 | 0 | 0 | 0 | 108.1 | N296 I300 | N296-C298 PolarHBondContact O-N 2.92Å; N296-C298 VanDerWaalsContact O-N 3.1Å; C298-I300 HydrophobicContact CB-CG1 4.39Å; C298-I300 PolarHBondContact O-N 3.22Å |
| 299 | V | 40.9 | Very low | 42.1 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | -66.9 | 121.5 | 158.6 | 174.7 | 0 | 0 | 0 | 0 | 106.2 | | |
| 300 | I | 41.9 | Very low | 41.8 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -116 | 110.2 | 169.6 | -64 | 174.7 | 0 | 0 | 0 | 104.2 | C298 E302 | C298-I300 HydrophobicContact CB-CG1 4.39Å; C298-I300 PolarHBondContact O-N 3.22Å; I300-E302 PolarHBondContact O-N 3.32Å |
| 301 | D | 37.6 | Very low | 41.5 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -63.8 | 134 | 175.9 | -64.2 | -55.8 | 0 | 0 | 0 | 109.6 | P303 | D301-P303 WeakPolarHBondContact O-CD 3.33Š|
| 302 | E | 42.2 | Very low | 41.2 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -93.7 | 111.3 | -173.3 | -175.8 | 165.5 | -137.9 | 0 | 0 | 110 | I300 S304 | I300-E302 PolarHBondContact O-N 3.32Å; E302-S304 PolarHBondContact O-N 3.37Å; E302-S304 VanDerWaalsContact O-N 3.08Å |
| 303 | P | 44.4 | Very low | 41 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | | | trans | -76.7 | 96.9 | 174.4 | 30.8 | -32.6 | 0 | 0 | 0 | 109.3 | D301 I305 | D301-P303 WeakPolarHBondContact O-CD 3.33Å; P303-I305 PolarHBondContact O-N 3.17Å |
| 304 | S | 31.3 | Very low | 40 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -56.3 | 118.6 | 175.1 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | E302 | E302-S304 PolarHBondContact O-N 3.37Å; E302-S304 VanDerWaalsContact O-N 3.08Å |
| 305 | I | 43.3 | Very low | 39.1 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -102.4 | 55.7 | 178.9 | 51 | 167.2 | 0 | 0 | 0 | 112 | P303 | P303-I305 PolarHBondContact O-N 3.17Š|
| 306 | D | 37.9 | Very low | 37.7 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | trans | -92.9 | 139.7 | 173.8 | -71.9 | -47.1 | 0 | 0 | 0 | 112 | | |
| 307 | N | 34.4 | Very low | 36.8 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 66.3 | 99.9 | 172.7 | -44.9 | -71.8 | 0 | 0 | 0 | 116.4 | | |
| 308 | I | 36.7 | Very low | 36 | Very low | 174 Ų | 174 | 145 Ų | 145 | 89% | 0.892 | 78% | 0.777 | S | S | * | * | | | | -154.3 | 105.1 | 105.8 | -85.8 | 140.1 | 0 | 0 | 0 | 106.5 | | |
| 309 | T | 35.5 | Very low | 35.3 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -141.9 | 126 | 165.4 | -65.9 | 0 | 0 | 0 | 0 | 104.6 | | |
| 310 | E | 40.6 | Very low | 34.7 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -15.6 | 133 | -178 | 58.3 | -136.4 | 120 | 0 | 0 | 119.4 | | |
| 311 | D | 32.3 | Very low | 34 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | | -157.7 | 158.4 | 128 | -122 | -27.7 | 0 | 0 | 0 | 112.5 | | |
| 312 | A | 37 | Very low | 33.7 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 62% | 0.62 | 80% | 0.797 | S | S | * | * | | | trans | -117.3 | 166.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 313 | D | 33.1 | Very low | 32.9 | Very low | 142 Ų | 142 | 149 Ų | 149 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | 46.9 | 107.6 | 161 | -55.5 | -27.5 | 0 | 0 | 0 | 118.6 | | |
| 314 | N | 29.2 | Very low | 32.6 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | | -178.9 | 147.9 | 93.7 | -99.4 | -75 | 0 | 0 | 0 | 116.3 | | |
| 315 | L | 31.9 | Very low | 32.5 | Very low | 138 Ų | 138 | 153.1 Ų | 153.1 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | | | trans | 51.3 | 119.8 | 145.2 | -66.3 | 164.7 | 0 | 0 | 0 | 121.5 | | |
| 316 | K | 28.5 | Very low | 32.1 | Very low | 215 Ų | 215 | 149.8 Ų | 149.8 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -130.5 | 94.9 | 137.1 | -166.9 | 161.3 | -169.8 | 165 | 0 | 111.8 | | |
| 317 | S | 27.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -88.8 | 135.6 | -177.1 | 49.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 318 | R | 28.3 | Very low | 31.5 | Very low | 247 Ų | 247 | 150.2 Ų | 150.2 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | | | trans | -165.5 | 133.6 | 167.6 | -162.2 | 162.4 | -173.9 | -178.2 | 1.9 | 106.8 | | |
| 319 | S | 26.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | | | cis | -142.2 | -176.2 | 13.9 | 41.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 320 | R | 28.8 | Very low | 31.8 | Very low | 227 Ų | 227 | 145.7 Ų | 145.7 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | | | trans | -94.2 | 145.5 | -160.4 | -51.6 | 165.1 | -171.9 | 132.9 | -1.4 | 115.3 | | |
| 321 | N | 28.3 | Very low | 31.3 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | | 57.5 | 161 | 127.8 | -54.3 | 1.1 | 0 | 0 | 0 | 123.7 | | |
| 322 | L | 29.6 | Very low | 31.1 | Very low | 175 Ų | 175 | 140.9 Ų | 140.9 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | | | trans | 86.6 | 139.1 | 172.8 | -55.7 | 165.8 | 0 | 0 | 0 | 115 | | |
| 323 | S | 26.3 | Very low | 30.6 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | cis | -150.6 | -169.6 | -2.8 | -157.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 324 | M | 37.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 77% | 0.768 | 79% | 0.787 | S | S | * | * | | | trans | -85.3 | 169.1 | -168.2 | -80.4 | -178.5 | 57.4 | 0 | 0 | 118.6 | | |
| 325 | D | 30.3 | Very low | 30.6 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 73.8 | 142.8 | 155.7 | -76.5 | -23.4 | 0 | 0 | 0 | 120 | | |
| 326 | S | 35.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | cis | -166.6 | 174.8 | -14.9 | -165.6 | 0 | 0 | 0 | 0 | 112 | | |
| 327 | L | 31.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 111.7 | 104.5 | 153.1 | -58.2 | -178.9 | 0 | 0 | 0 | 121.2 | | |
| 328 | V | 28.1 | Very low | 30.4 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | 78.7 | 136.6 | 132.2 | -179.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 329 | A | 35.2 | Very low | 30.5 | Very low | 85 Ų | 85 | 140.3 Ų | 140.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -110.8 | -163.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 330 | P | 42.2 | Very low | 31.4 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -126 | -162.5 | 2.1 | 44.9 | -26.6 | 0 | 0 | 0 | 111.7 | | |
| 331 | L | 29.6 | Very low | 31.3 | Very low | 166 Ų | 166 | 135.6 Ų | 135.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | | | cis | -143.2 | -151 | 4.4 | -165.4 | 37.8 | 0 | 0 | 0 | 110 | | |
| 332 | A | 29.2 | Very low | 31.4 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 61% | 0.612 | 78% | 0.777 | S | S | * | * | | | trans | -147.5 | 165.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 333 | D | 26.1 | Very low | 31.6 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 57.6 | 140.4 | 149 | -77.7 | -42 | 0 | 0 | 0 | 125.3 | | |
| 334 | T | 32.3 | Very low | 31.8 | Very low | 125 Ų | 125 | 131.3 Ų | 131.3 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | | | trans | 19.3 | 133 | 153 | 58.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 335 | S | 29.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | | -177.4 | -174.5 | 119 | 40.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 336 | E | 28.7 | Very low | 32.5 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -92.9 | 144.8 | -156.9 | -52.2 | -179.3 | 119.4 | 0 | 0 | 116.8 | | |
| 337 | S | 27.3 | Very low | 32.2 | Very low | 89 Ų | 89 | 134.3 Ų | 134.3 | 62% | 0.622 | 77% | 0.768 | S | S | * | * | | | trans | 74.8 | 150.5 | 135 | 73.2 | 0 | 0 | 0 | 0 | 123.5 | | |
| 338 | F | 28.7 | Very low | 32.1 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | 87.6 | 154.3 | 162.4 | -62.5 | -69.2 | 0 | 0 | 0 | 122.3 | | |
| 339 | Q | 31 | Very low | 32.1 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -80.7 | -179.1 | -164.3 | -95.4 | -177.3 | -8.4 | 0 | 0 | 114.8 | | |
| 340 | P | 43.3 | Very low | 31.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -122 | -159.2 | 14.7 | 26.2 | 0.1 | 0 | 0 | 0 | 112.8 | | |
| 341 | V | 27.8 | Very low | 31.4 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | cis | -146.2 | 162.9 | 21 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 342 | S | 29.8 | Very low | 31.4 | Very low | 100 Ų | 100 | 135 Ų | 135 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -57.6 | 156.3 | 177.4 | -42.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 343 | T | 34.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | | -161.7 | 137.3 | 86.1 | 23.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 344 | V | 31.3 | Very low | 31.5 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | 52 | 98.5 | 147.6 | -173.1 | 0 | 0 | 0 | 0 | 117.8 | | |
| 345 | L | 36.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | | 68.6 | 149.2 | 77.6 | -70.3 | 169.6 | 0 | 0 | 0 | 115.7 | | |
| 346 | P | 45.2 | Very low | 31.4 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | | | cis | -131.4 | -157.4 | -22.9 | 44.7 | -27.6 | 0 | 0 | 0 | 110 | | |
| 347 | R | 29.7 | Very low | 31.4 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | cis | -156.9 | 158.4 | -9.8 | -146.6 | -179.4 | 175.2 | 94 | -0.1 | 109.1 | | |
| 348 | N | 27.8 | Very low | 31.6 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -117 | 155.2 | 158.3 | -66.1 | -42.8 | 0 | 0 | 0 | 109.6 | | |
| 349 | H | 28.9 | Very low | 31.6 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | | | trans | -179.4 | 162.2 | 136.8 | 50.7 | -73.8 | 0 | 0 | 0 | 113 | | |
| 350 | S | 30.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | -136.3 | -174.3 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 351 | I | 31.9 | Very low | 31.2 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 90% | 0.903 | 76% | 0.759 | S | S | * | * | | | trans | 82.7 | 133.2 | 176.9 | -51.3 | 163.2 | 0 | 0 | 0 | 114.6 | | |
| 352 | G | 29 | Very low | 31.3 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 151.4 | 104.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 353 | E | 29.9 | Very low | 31.5 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | | | trans | -92.1 | 146.8 | 177.6 | -58.2 | 171.2 | 111.6 | 0 | 0 | 111.6 | | |
| 354 | S | 27.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | | 153.3 | 128.6 | 126.7 | -73.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 355 | L | 30.3 | Very low | 31.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | | | trans | 58.2 | 157.4 | 144 | -82.2 | 95.2 | 0 | 0 | 0 | 123.7 | | |
| 356 | S | 29.7 | Very low | 31.1 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | trans | 79 | 113 | 158.1 | 72.4 | 0 | 0 | 0 | 0 | 121 | | |
| 357 | S | 27.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 77% | 0.766 | S | S | * | * | | | trans | 10.4 | 148.1 | 130.4 | 61.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 358 | Q | 31.6 | Very low | 31.2 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 64% | 0.64 | 77% | 0.769 | S | S | * | * | | | cis | -174.7 | 162.5 | 48.8 | -147.3 | 167.3 | 21.4 | 0 | 0 | 112.7 | | |
| 359 | Y | 30.3 | Very low | 31.7 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 59.8 | 127.9 | 166.9 | -54.6 | -59.8 | 0 | 0 | 0 | 117.8 | | |
| 360 | K | 32.8 | Very low | 31.9 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | | -151.7 | 138.7 | 55.6 | -96.9 | -179.6 | 177.3 | 174 | 0 | 114.7 | | |
| 361 | S | 31.7 | Very low | 32.2 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | 24.3 | 141.1 | 137.4 | 59.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 362 | S | 30.6 | Very low | 32.2 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | cis | 180 | 150.2 | -1.1 | 44.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 363 | M | 33.6 | Very low | 32.5 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | | | trans | 51.7 | 119.1 | 150.8 | -58.7 | -72.6 | 92.4 | 0 | 0 | 118.6 | | |
| 364 | A | 28.5 | Very low | 32.6 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 65% | 0.653 | 78% | 0.779 | S | S | * | * | | | | 67.1 | 144 | 71.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 365 | L | 33.8 | Very low | 33.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | cis | -128.1 | 174.3 | 14.7 | -87.7 | 80.3 | 0 | 0 | 0 | 112.4 | | |
| 366 | G | 31.1 | Very low | 33.3 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | | | trans | -109.8 | -152.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 367 | P | 46.4 | Very low | 33.4 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | | | cis | -118.8 | -178.1 | -19.5 | 40.7 | -27.1 | 0 | 0 | 0 | 111.7 | | |
| 368 | G | 31.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -167.9 | 128.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 369 | T | 38.6 | Very low | 33.7 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 98% | 0.982 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 135.8 | 178.3 | -36 | 0 | 0 | 0 | 0 | 110.9 | | |
| 370 | G | 32.8 | Very low | 33.9 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -166 | 146.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 371 | Q | 36.3 | Very low | 34 | Very low | 185 Ų | 185 | 127.7 Ų | 127.7 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -123.9 | 166 | -172.9 | -165.2 | 166.9 | 1 | 0 | 0 | 111 | | |
| 372 | L | 33.2 | Very low | 34.3 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | | | trans | 83.7 | 139.9 | 159.9 | -93.9 | 158.8 | 0 | 0 | 0 | 119.9 | | |
| 373 | L | 34.3 | Very low | 34.3 | Very low | 161 Ų | 161 | 131 Ų | 131 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | 80.8 | 125.2 | 161.5 | -57.2 | 175.7 | 0 | 0 | 0 | 121.3 | | |
| 374 | S | 31.7 | Very low | 34.6 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -71.4 | 170.6 | 155.5 | -46 | 0 | 0 | 0 | 0 | 110.3 | | |
| 375 | P | 44.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 130.8 Ų | 130.8 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | cis | -147 | -166.8 | 33.8 | 43.6 | -22.4 | 0 | 0 | 0 | 116 | | |
| 376 | G | 27.7 | Very low | 35.3 | Very low | 76 Ų | 76 | 129.9 Ų | 129.9 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | 138.9 | 89.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 377 | A | 32.1 | Very low | 36.1 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 88% | 0.884 | 81% | 0.805 | S | S | * | * | | | trans | -49.5 | 153.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 378 | A | 33.3 | Very low | 35.7 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -152.8 | 127.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 379 | R | 33.6 | Very low | 35.8 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | 74.8 | 93.7 | 140.1 | -159.7 | 178.9 | -164.2 | -86.5 | 7.2 | 121.3 | | |
| 380 | R | 34.5 | Very low | 35.6 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | 59.4 | 134 | 132.8 | -59.7 | 175.5 | -166.8 | -179.8 | 3 | 117.9 | | |
| 381 | Q | 33.9 | Very low | 36 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 63% | 0.626 | 79% | 0.79 | S | S | * | * | | | cis | -156.2 | 177.4 | 10.1 | -114.8 | 160.7 | -103 | 0 | 0 | 107.5 | | |
| 382 | F | 37.4 | Very low | 36 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | cis | -118.4 | -97.9 | 16.8 | -136.8 | -65.4 | 0 | 0 | 0 | 113.8 | | |
| 383 | G | 31.9 | Very low | 35.8 | Very low | 72 Ų | 72 | 132.8 Ų | 132.8 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | | | trans | -173.9 | 160.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 384 | S | 40 | Very low | 35.6 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -141.7 | 158.9 | -173.4 | 63 | 0 | 0 | 0 | 0 | 111.8 | | |
| 385 | N | 39.8 | Very low | 35.7 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 54.4 | 114 | 158.4 | -51 | -19.5 | 0 | 0 | 0 | 118.7 | | |
| 386 | T | 36.2 | Very low | 35.1 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | | | | 174.3 | 166.8 | 112.6 | 32.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 387 | S | 47.7 | Very low | 35.6 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -89.8 | 159.9 | -169.3 | 48.4 | 0 | 0 | 0 | 0 | 115 | | |
| 388 | L | 37.9 | Very low | 35.8 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 78% | 0.775 | 78% | 0.776 | S | S | * | * | | | | 175.5 | 178.7 | 118.4 | -94.8 | 173.9 | 0 | 0 | 0 | 114.3 | | |
| 389 | H | 34.9 | Very low | 35.8 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | 81 | 130.7 | 176.7 | -67.3 | -95.2 | 0 | 0 | 0 | 118 | | |
| 390 | L | 34 | Very low | 36.2 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | cis | 94 | 82.9 | 22.1 | -76.9 | 160.7 | 0 | 0 | 0 | 117.9 | | |
| 391 | L | 41.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -144.4 | 127.9 | 136.6 | -66.7 | 178.3 | 0 | 0 | 0 | 104.7 | | |
| 392 | S | 34.8 | Very low | 36.1 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | cis | 69.9 | 128.8 | 41.1 | -145.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 393 | S | 30.4 | Very low | 35.9 | Very low | 86 Ų | 86 | 136.9 Ų | 136.9 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | cis | -157.3 | 143.3 | 8.6 | -12.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 394 | H | 30.3 | Very low | 36.4 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | | 172.9 | 130.4 | 118.9 | -97.9 | -66.4 | 0 | 0 | 0 | 112.4 | | |
| 395 | S | 32.4 | Very low | 36.1 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -115.7 | 151.2 | 168.6 | 50.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 396 | K | 33.3 | Very low | 35.8 | Very low | 214 Ų | 214 | 140.6 Ų | 140.6 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -153.1 | 136.4 | 157.7 | -123.4 | 171.5 | -175.7 | 176.9 | 0 | 110.1 | | |
| 397 | S | 36.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -95 | 157.7 | -176.4 | 45.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 398 | L | 37.9 | Very low | 34.7 | Very low | 158 Ų | 158 | 142 Ų | 142 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | trans | -150.8 | 124.7 | 135.7 | -131.8 | 168.3 | 0 | 0 | 0 | 109.1 | L400 | L398-L400 HydrophobicContact CD2-CG 4.16Š|
| 399 | D | 32.5 | Very low | 34.3 | Very low | 144 Ų | 144 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | | | trans | -100.8 | 120.8 | 171.4 | 167.8 | 32.7 | 0 | 0 | 0 | 107.9 | | |
| 400 | L | 42 | Very low | 34.1 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -148 | 134.2 | 161.2 | -83.8 | -173.1 | 0 | 0 | 0 | 111.2 | L398 | L398-L400 HydrophobicContact CD2-CG 4.16Š|
| 401 | D | 33.8 | Very low | 34 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 80% | 0.801 | S | S | * | * | | | trans | -53 | 163.8 | 173.4 | 171.9 | 45.8 | 0 | 0 | 0 | 115 | | |
| 402 | R | 31.6 | Very low | 33.5 | Very low | 218 Ų | 218 | 139.2 Ų | 139.2 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | | | trans | 89.6 | 104.9 | 150.1 | -152.6 | 179.2 | -124.2 | 112.6 | -8 | 119.6 | | |
| 403 | G | 34.3 | Very low | 33.4 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | | | trans | 125.4 | 132.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 404 | P | 42.9 | Very low | 33.4 | Very low | 141 Ų | 141 | 148.5 Ų | 148.5 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -80.9 | 132.6 | 172.1 | 32.9 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 405 | S | 32.8 | Very low | 33.5 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -147.3 | 151.8 | 169.4 | -163.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 406 | T | 33.8 | Very low | 33.6 | Very low | 128 Ų | 128 | 150.5 Ų | 150.5 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | | | trans | -88.6 | 115.2 | -162.9 | 51.3 | 0 | 0 | 0 | 0 | 112.9 | T408 | T406-T408 PolarHBondContact O-N 3.49Š|
| 407 | L | 28.9 | Very low | 34 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -83 | 105.9 | 173 | -175.2 | 64.1 | 0 | 0 | 0 | 111.4 | V409 | L407-V409 PolarHBondContact O-N 3.08Š|
| 408 | T | 31.4 | Very low | 34.2 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | | | trans | -75.7 | 113.7 | 168.6 | 51.2 | 0 | 0 | 0 | 0 | 110.5 | T406 | T406-T408 PolarHBondContact O-N 3.49Š|
| 409 | V | 30.3 | Very low | 34.2 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | | | trans | -82.1 | 127.5 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 110 | L407 | L407-V409 PolarHBondContact O-N 3.08Š|
| 410 | Q | 30.1 | Very low | 34.8 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -69.8 | 144 | 168.6 | -74.7 | -166.5 | 9.5 | 0 | 0 | 111 | | |
| 411 | A | 32.8 | Very low | 34.4 | Very low | 106 Ų | 106 | 151.7 Ų | 151.7 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | | | trans | -112.8 | 97.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 412 | E | 30.1 | Very low | 35 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | | | trans | -91.2 | 149.7 | 167.6 | -174 | 56.7 | -105.6 | 0 | 0 | 110.1 | | |
| 413 | Q | 33.4 | Very low | 35.3 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | -47.4 | 147 | -164.8 | -67.7 | 163.4 | 52.1 | 0 | 0 | 118.1 | | |
| 414 | R | 30 | Very low | 35.7 | Very low | 228 Ų | 228 | 157.3 Ų | 157.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | | -168.5 | 130.5 | 96.6 | -98.3 | 158.3 | -171.1 | 179.4 | 4 | 116.3 | | |
| 415 | K | 32.3 | Very low | 35.4 | Very low | 170 Ų | 170 | 157.8 Ų | 157.8 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | | | trans | 42.7 | 103.6 | 150.6 | -62.7 | -173.2 | 174.4 | -176.3 | 0 | 119.2 | | |
| 416 | H | 34.5 | Very low | 35.6 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | | | | 151 | 94.3 | 110.8 | -76.7 | -63.1 | 0 | 0 | 0 | 112.5 | | |
| 417 | P | 42.2 | Very low | 36.5 | Very low | 127 Ų | 127 | 158.7 Ų | 158.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -108.1 | 130.2 | 171.3 | 29 | -14.6 | 0 | 0 | 0 | 114.1 | | |
| 418 | S | 40.3 | Very low | 37.3 | Very low | 98 Ų | 98 | 160.6 Ų | 160.6 | 69% | 0.685 | 81% | 0.807 | S | S | * | * | | | trans | -46.2 | 150.2 | 164.6 | 50.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 419 | W | 38 | Very low | 37.8 | Very low | 225 Ų | 225 | 158.2 Ų | 158.2 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | 50.9 | 120.3 | 137.3 | -69.5 | 65.2 | 0 | 0 | 0 | 119.7 | R421 | W419-R421 PolarHBondContact O-N 3.24Š|
| 420 | P | 44.3 | Very low | 38 | Very low | 134 Ų | 134 | 163.8 Ų | 163.8 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | | | trans | -65.6 | 119.3 | 169 | -16.5 | 30.3 | 0 | 0 | 0 | 112.1 | | |
| 421 | R | 34.1 | Very low | 38.6 | Very low | 226 Ų | 226 | 163.4 Ų | 163.4 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | | | trans | -108.9 | 134.8 | 158.2 | -95.8 | -172.3 | 164.1 | 85.5 | -0.5 | 109.5 | W419 | W419-R421 PolarHBondContact O-N 3.24Š|
| 422 | L | 47.6 | Very low | 38.9 | Very low | 168 Ų | 168 | 165.6 Ų | 165.6 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | | | trans | -92.6 | 106.3 | -177.4 | 177.4 | 76.8 | 0 | 0 | 0 | 110 | | |
| 423 | D | 37.5 | Very low | 39.7 | Very low | 146 Ų | 146 | 167 Ų | 167 | 78% | 0.781 | 82% | 0.817 | S | S | * | * | | | trans | -136.8 | 86.9 | 167.4 | -95.6 | -52.7 | 0 | 0 | 0 | 112.6 | | |
| 424 | R | 42.3 | Very low | 39.8 | Very low | 216 Ų | 216 | 166.5 Ų | 166.5 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | | | | 35.6 | 94.1 | 123.9 | -169.9 | -177.8 | -173.2 | 174.4 | 1.6 | 117.5 | | |
| 425 | N | 37.7 | Very low | 40 | Very low | 151 Ų | 151 | 163 Ų | 163 | 81% | 0.807 | 81% | 0.813 | S | S | * | * | | | | -179.6 | 99.5 | 126.4 | -94.4 | -12.1 | 0 | 0 | 0 | 113.9 | | |
| 426 | N | 37.1 | Very low | 40.4 | Very low | 149 Ų | 149 | 164.1 Ų | 164.1 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -155.5 | 117.7 | 138.4 | -167 | -15.9 | 0 | 0 | 0 | 109.5 | K428 | N426-K428 PolarHBondContact OD1-N 3.15Š|
| 427 | S | 52.3 | Low | 40.5 | Very low | 119 Ų | 119 | 163.9 Ų | 163.9 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -131.7 | 71.5 | 177.2 | 58.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 428 | K | 44.9 | Very low | 40.3 | Very low | 197 Ų | 197 | 165.2 Ų | 165.2 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | trans | -153.1 | 113.3 | 175.5 | -140.7 | 171.3 | -174.6 | 178.2 | 0 | 109.8 | N426 | N426-K428 PolarHBondContact OD1-N 3.15Š|
| 429 | G | 41.3 | Very low | 40.8 | Very low | 76 Ų | 76 | 166.1 Ų | 166.1 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 155 | 3.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | M431 | G429-M431 PolarHBondContact O-N 3.34Š|
| 430 | Y | 35.2 | Very low | 40.5 | Very low | 245 Ų | 245 | 163.7 Ų | 163.7 | 96% | 0.961 | 82% | 0.822 | S | S | * | * | | | trans | -80.8 | 99.7 | 172.2 | -75.7 | -72.9 | 0 | 0 | 0 | 111.2 | | |
| 431 | M | 42.2 | Very low | 40 | Very low | 174 Ų | 174 | 162.3 Ų | 162.3 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 120.6 | 160.5 | -91.1 | -115.4 | 56.8 | 0 | 0 | 109.7 | G429 | G429-M431 PolarHBondContact O-N 3.34Š|
| 432 | K | 40 | Very low | 39.9 | Very low | 153 Ų | 153 | 161.3 Ų | 161.3 | 67% | 0.665 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69 | 124.2 | 170.5 | 173.8 | -165.6 | 177 | -140.2 | 0 | 108.7 | E434 | K432-E434 IonicContact NZ-OE2 3.89Å; K432-E434 PolarHBondContact NZ-OE2 3.09Å |
| 433 | L | 45.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 160.4 Ų | 160.4 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 154.4 | 158 | -138.1 | 83.5 | 0 | 0 | 0 | 109.3 | | |
| 434 | E | 36 | Very low | 38.8 | Very low | 142 Ų | 142 | 161 Ų | 161 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -121.1 | 153.1 | -164.4 | -166 | 156 | 126.8 | 0 | 0 | 111.5 | K432 | K432-E434 IonicContact NZ-OE2 3.89Å; K432-E434 PolarHBondContact NZ-OE2 3.09Å |
| 435 | N | 35.1 | Very low | 38.3 | Very low | 153 Ų | 153 | 157.1 Ų | 157.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -61.3 | 134.3 | 178.1 | -63.9 | -23.3 | 0 | 0 | 0 | 111.2 | | |
| 436 | K | 39.6 | Very low | 38.1 | Very low | 194 Ų | 194 | 155.7 Ų | 155.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -146 | 148.1 | 145.9 | -71.1 | -155.1 | 173.3 | -168.5 | 0 | 109.7 | | |
| 437 | E | 37.4 | Very low | 37.9 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -80.7 | 173.9 | -173 | -61.5 | 91.4 | 160.4 | 0 | 0 | 114.7 | | |
| 438 | D | 38.4 | Very low | 37.1 | Very low | 154 Ų | 154 | 157 Ų | 157 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -60 | -178.3 | 175.8 | -55.7 | -79.1 | 0 | 0 | 0 | 114.3 | | |
| 439 | P | 49.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | cis | -132.7 | 170.9 | -3.3 | 40.5 | -25.2 | 0 | 0 | 0 | 115.7 | | |
| 440 | M | 33.2 | Very low | 36.8 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | | | trans | -156.4 | 149.9 | 134.6 | -115.8 | -54.5 | -69 | 0 | 0 | 114 | | |
| 441 | D | 33 | Very low | 37.3 | Very low | 105 Ų | 105 | 152.5 Ų | 152.5 | 56% | 0.561 | 78% | 0.783 | S | S | * | * | | | trans | -86.5 | 162.6 | -165.3 | -179.8 | 33 | 0 | 0 | 0 | 115 | | |
| 442 | R | 32.5 | Very low | 38 | Very low | 205 Ų | 205 | 151.7 Ų | 151.7 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 73.3 | 133.3 | 170.2 | -40.3 | -176.8 | -176.1 | 175 | -3.6 | 115.3 | | |
| 443 | L | 29.7 | Very low | 38.4 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | cis | -149.4 | 154.8 | 42.5 | -82.1 | 163.8 | 0 | 0 | 0 | 115 | | |
| 444 | L | 31.7 | Very low | 39.4 | Very low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | 59.9 | 97.9 | 151.7 | -71.7 | 164.1 | 0 | 0 | 0 | 120.1 | | |
| 445 | V | 31.5 | Very low | 41.4 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | | | trans | -75.9 | 136.2 | 162.1 | 168.4 | 0 | 0 | 0 | 0 | 112 | | |
| 446 | P | 33.9 | Very low | 43 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | trans | -98.9 | 118 | 150.4 | -12 | 30.8 | 0 | 0 | 0 | 112.4 | | |
| 447 | Q | 33 | Very low | 44.6 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | | | trans | 5.4 | 117.7 | 164.5 | -66.9 | -68.5 | -9.6 | 0 | 0 | 119.4 | A449 | Q447-A449 PolarHBondContact O-N 3.06Š|
| 448 | V | 35.3 | Very low | 46.1 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | | | trans | -64.7 | 121.4 | 159.9 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | I450 | V448-I450 PolarHBondContact O-N 2.97Š|
| 449 | A | 37.6 | Very low | 47.8 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 69% | 0.686 | S | S | * | * | | | trans | -62.5 | 111.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q447 K451 | Q447-A449 PolarHBondContact O-N 3.06Å; A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.09Å |
| 450 | I | 42 | Very low | 48.8 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 76% | 0.764 | 68% | 0.679 | S | S | * | * | | | trans | -60.9 | 114.7 | -178 | -62.3 | 172.2 | 0 | 0 | 0 | 109.4 | V448 K452 | V448-I450 PolarHBondContact O-N 2.97Å; I450-K452 VanDerWaalsContact C-N 3.29Å; I450-K452 PolarHBondContact O-N 2.87Å |
| 451 | K | 45.9 | Very low | 50.5 | Low | 185 Ų | 185 | 130.6 Ų | 130.6 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | | | trans | -73.8 | 80 | 178.7 | -163.3 | -177 | -175.2 | -171.7 | 0 | 110 | A449 D453 | A449-K451 PolarHBondContact O-N 3.39Å; A449-K451 VanDerWaalsContact O-N 3.09Å; K451-D453 PolarHBondContact O-N 3.39Å |
| 452 | K | 56.5 | Low | 52.2 | Low | 157 Ų | 157 | 130.6 Ų | 130.6 | 68% | 0.683 | 67% | 0.667 | S | S | * | * | | | trans | -67.1 | 121.2 | 173 | -99.3 | -177.6 | 173.3 | 179.3 | 0 | 110 | I450 F454 | I450-K452 VanDerWaalsContact C-N 3.29Å; I450-K452 PolarHBondContact O-N 2.87Å; K452-F454 HydrophobicContact CB-CE2 4.34Å; K452-F454 HydrophobicContact CB-CZ 4.4Å; K452-F454 WeakPolarHBondContact O-CD2 3.2Å; K452-F454 PolarHBondContact O-N 2.85Å |
| 453 | D | 49 | Very low | 53.6 | Low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | | | trans | -76.8 | 86.8 | 176.4 | -75 | -49.3 | 0 | 0 | 0 | 111.3 | K451 T455 | K451-D453 PolarHBondContact O-N 3.39Å; D453-T455 PolarHBondContact O-N 3.3Å |
| 454 | F | 67.8 | Low | 54.9 | Low | 90 Ų | 90 | 122.4 Ų | 122.4 | 40% | 0.395 | 65% | 0.645 | S | S | . | * | | | trans | -57.4 | 120.7 | 175.9 | -67.2 | -77 | 0 | 0 | 0 | 111.4 | K452 E458 K459 M462 | K452-F454 HydrophobicContact CB-CE2 4.34Å; K452-F454 HydrophobicContact CB-CZ 4.4Å; K452-F454 WeakPolarHBondContact O-CD2 3.2Å; K452-F454 PolarHBondContact O-N 2.85Å; F454-E458 HydrophobicContact CD1-CG 4.19Å; F454-K459 HydrophobicContact CB-CG 4.18Å; F454-K459 WeakPolarHBondContact O-CE 3.29Å; F454-K459 PolarHBondContact O-NZ 3.42Å; F454-M462 HydrophobicContact CD1-CE 4.42Å; F454-M462 HydrophobicContact CG-CE 4.39Å |
| 455 | T | 76.3 | Confident | 56 | Low | 67 Ų | 67 | 125.1 Ų | 125.1 | 41% | 0.411 | 64% | 0.644 | S | S | . | * | | | trans | -67.4 | 152.1 | 179.8 | 63.3 | 0 | 0 | 0 | 0 | 111.1 | D453 K457 E458 K459 | D453-T455 PolarHBondContact O-N 3.3Å; T455-K457 PolarHBondContact O-N 3.13Å; T455-K457 VanDerWaalsContact O-N 3.13Å; T455-K457 VanDerWaalsContact OG1-CE 3.29Å; T455-K457 WeakPolarHBondContact OG1-CE 3.33Å; T455-K457 WeakPolarHBondContact OG1-CG 3.48Å; T455-E458 WeakPolarHBondContact O-CA 3.09Å; T455-E458 WeakPolarHBondContact O-CB 3.37Å; T455-E458 PolarHBondContact O-N 3.1Å; T455-K459 PolarHBondContact O-N 3.28Å; T455-K459 VanDerWaalsContact O-N 3.16Å |
| 456 | N | 69.9 | Low | 56.9 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 65% | 0.647 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.1 | -31.6 | -172.9 | -76.1 | -10.9 | 0 | 0 | 0 | 114 | E458 K459 L460 | N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.24Å; N456-K459 PolarHBondContact O-N 3.36Å; N456-L460 PolarHBondContact O-N 3.38Å |
| 457 | K | 72.4 | Confident | 57.7 | Low | 157 Ų | 157 | 123.8 Ų | 123.8 | 68% | 0.683 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60 | -34.2 | 172.1 | 57 | 178.2 | -179.1 | 178.8 | 0 | 113.5 | T455 L461 | T455-K457 PolarHBondContact O-N 3.13Å; T455-K457 VanDerWaalsContact O-N 3.13Å; T455-K457 VanDerWaalsContact OG1-CE 3.29Å; T455-K457 WeakPolarHBondContact OG1-CE 3.33Å; T455-K457 WeakPolarHBondContact OG1-CG 3.48Å; K457-L461 WeakPolarHBondContact O-CG 3.5Å; K457-L461 PolarHBondContact O-N 2.88Å |
| 458 | E | 70.3 | Confident | 58.5 | Low | 84 Ų | 84 | 122 Ų | 122 | 39% | 0.393 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -81.7 | -36.4 | -178.2 | -161.5 | 172.7 | 178.6 | 0 | 0 | 111.2 | F454 T455 N456 L461 M462 | F454-E458 HydrophobicContact CD1-CG 4.19Å; T455-E458 WeakPolarHBondContact O-CA 3.09Å; T455-E458 WeakPolarHBondContact O-CB 3.37Å; T455-E458 PolarHBondContact O-N 3.1Å; N456-E458 VanDerWaalsContact C-N 3.27Å; N456-E458 PolarHBondContact O-N 3.24Å; E458-L461 PolarHBondContact O-N 3.37Å; E458-M462 PolarHBondContact O-N 3.16Å |
| 459 | K | 73.6 | Confident | 58.8 | Low | 93 Ų | 93 | 123.6 Ų | 123.6 | 40% | 0.404 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.7 | -43.4 | 169.2 | -68.2 | 170.9 | 175.7 | 147.3 | 0 | 111.9 | F454 T455 N456 M462 I463 | F454-K459 HydrophobicContact CB-CG 4.18Å; F454-K459 WeakPolarHBondContact O-CE 3.29Å; F454-K459 PolarHBondContact O-NZ 3.42Å; T455-K459 PolarHBondContact O-N 3.28Å; T455-K459 VanDerWaalsContact O-N 3.16Å; N456-K459 PolarHBondContact O-N 3.36Å; K459-M462 HydrophobicContact CG-CE 4.29Å; K459-M462 PolarHBondContact O-N 3.02Å; K459-I463 WeakPolarHBondContact O-CG1 3.39Å; K459-I463 PolarHBondContact O-N 3.2Å; K459-I463 VanDerWaalsContact O-N 3.1Å |
| 460 | L | 69 | Low | 59.4 | Low | 119 Ų | 119 | 127 Ų | 127 | 62% | 0.623 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.8 | -41.6 | 174 | -81.3 | 161.5 | 0 | 0 | 0 | 112.5 | N456 I463 S464 | N456-L460 PolarHBondContact O-N 3.38Å; L460-I463 PolarHBondContact O-N 2.9Å; L460-S464 WeakPolarHBondContact O-CB 3.22Å; L460-S464 PolarHBondContact O-N 3.03Å |
| 461 | L | 68.5 | Low | 59.4 | Low | 120 Ų | 120 | 124.6 Ų | 124.6 | 63% | 0.628 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.5 | -35.2 | 176 | -79.9 | 164.1 | 0 | 0 | 0 | 113.4 | K457 E458 R465 | K457-L461 WeakPolarHBondContact O-CG 3.5Å; K457-L461 PolarHBondContact O-N 2.88Å; E458-L461 PolarHBondContact O-N 3.37Å; L461-R465 PolarHBondContact O-N 3.11Å |
| 462 | M | 69 | Low | 59.4 | Low | 106 Ų | 106 | 125.4 Ų | 125.4 | 52% | 0.522 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -66.7 | -43.8 | 173.7 | -71.9 | -173.3 | -73.2 | 0 | 0 | 111.9 | F454 E458 K459 R465 | F454-M462 HydrophobicContact CD1-CE 4.42Å; F454-M462 HydrophobicContact CG-CE 4.39Å; E458-M462 PolarHBondContact O-N 3.16Å; K459-M462 HydrophobicContact CG-CE 4.29Å; K459-M462 PolarHBondContact O-N 3.02Å; M462-R465 PolarHBondContact O-N 2.91Å |
| 463 | I | 63.5 | Low | 58.9 | Low | 95 Ų | 95 | 126 Ų | 126 | 49% | 0.487 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.5 | -42.2 | 177.1 | -63.8 | 162.5 | 0 | 0 | 0 | 111.1 | K459 L460 R465 S466 H467 | K459-I463 WeakPolarHBondContact O-CG1 3.39Å; K459-I463 PolarHBondContact O-N 3.2Å; K459-I463 VanDerWaalsContact O-N 3.1Å; L460-I463 PolarHBondContact O-N 2.9Å; I463-R465 PolarHBondContact O-N 3.17Å; I463-R465 VanDerWaalsContact O-N 3.11Å; I463-S466 PolarHBondContact O-N 3.42Å; I463-S466 VanDerWaalsContact O-N 3.17Å; I463-S466 PolarHBondContact O-OG 3.28Å; I463-H467 PolarHBondContact O-CD2 3.45Å; I463-H467 VanDerWaalsContact O-CD2 3.28Å |
| 464 | S | 56.5 | Low | 58.6 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 62% | 0.615 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.8 | -21.5 | 179.8 | -170.5 | 0 | 0 | 0 | 0 | 113.7 | L460 | L460-S464 WeakPolarHBondContact O-CB 3.22Å; L460-S464 PolarHBondContact O-N 3.03Å |
| 465 | R | 53.4 | Low | 57.4 | Low | 215 Ų | 215 | 130.1 Ų | 130.1 | 81% | 0.811 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -87.4 | -18.6 | 178 | -88.3 | -177.5 | 165 | 158.9 | -3.5 | 114.6 | L461 M462 I463 | L461-R465 PolarHBondContact O-N 3.11Å; M462-R465 PolarHBondContact O-N 2.91Å; I463-R465 PolarHBondContact O-N 3.17Å; I463-R465 VanDerWaalsContact O-N 3.11Å |
| 466 | S | 52.4 | Low | 56 | Low | 84 Ų | 84 | 134.9 Ų | 134.9 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.8 | -11.7 | -177.1 | 48.6 | 0 | 0 | 0 | 0 | 115 | I463 | I463-S466 PolarHBondContact O-N 3.42Å; I463-S466 VanDerWaalsContact O-N 3.17Å; I463-S466 PolarHBondContact O-OG 3.28Å |
| 467 | H | 50.3 | Low | 54.8 | Low | 142 Ų | 142 | 137.9 Ų | 137.9 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | 1.8 | -174.2 | -70.3 | -70.5 | 0 | 0 | 0 | 115.4 | I463 | I463-H467 PolarHBondContact O-CD2 3.45Å; I463-H467 VanDerWaalsContact O-CD2 3.28Å |
| 468 | N | 48.4 | Very low | 53.5 | Low | 133 Ų | 133 | 137.7 Ų | 137.7 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -100.9 | 10.4 | -165.9 | -135.7 | 57.2 | 0 | 0 | 0 | 115.6 | | |
| 469 | N | 43.4 | Very low | 52.4 | Low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -121.8 | 22.8 | -174.4 | -70 | -25.7 | 0 | 0 | 0 | 113.4 | | |
| 470 | L | 48.3 | Very low | 50.9 | Low | 163 Ų | 163 | 140.1 Ų | 140.1 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -139.5 | 35.2 | -169.4 | -134.6 | 172 | 0 | 0 | 0 | 112.9 | | |
| 471 | S | 42.5 | Very low | 49.7 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -142.9 | 36.7 | -173.6 | 71.5 | 0 | 0 | 0 | 0 | 114 | | |
| 472 | F | 45.6 | Very low | 48.7 | Very low | 203 Ų | 203 | 144.3 Ų | 144.3 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -139 | 13.3 | -178.1 | -135.7 | -92.3 | 0 | 0 | 0 | 115.8 | | |
| 473 | E | 46 | Very low | 47.4 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -121.8 | 19.1 | -178.7 | -66.5 | -176.2 | 118 | 0 | 0 | 113.6 | | |
| 474 | H | 42.9 | Very low | 46.2 | Very low | 168 Ų | 168 | 155.5 Ų | 155.5 | 78% | 0.778 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -123.6 | -4.8 | -173.9 | -82.8 | 3.4 | 0 | 0 | 0 | 116.5 | | |
| 475 | D | 44.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -93.4 | -17.7 | 179.8 | -79.7 | -44 | 0 | 0 | 0 | 114.9 | | |
| 476 | E | 46.8 | Very low | 44.8 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | G | 310 helix | trans | -77.3 | -23.7 | -175 | -64.3 | -160 | 141.3 | 0 | 0 | 114.5 | L478 S479 | E476-L478 PolarHBondContact O-N 3.39Å; E476-S479 PolarHBondContact O-OG 3.31Å |
| 477 | F | 43.4 | Very low | 44.3 | Very low | 184 Ų | 184 | 152.3 Ų | 152.3 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | G | 310 helix | trans | -84.1 | -2.8 | -171.1 | -75.4 | -78.1 | 0 | 0 | 0 | 115.9 | | |
| 478 | L | 44.5 | Very low | 43.8 | Very low | 153 Ų | 153 | 154.9 Ų | 154.9 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | G | 310 helix | trans | -101.8 | -3.4 | -175.6 | -75.6 | 172 | 0 | 0 | 0 | 115.3 | E476 | E476-L478 PolarHBondContact O-N 3.39Š|
| 479 | S | 47.3 | Very low | 43.7 | Very low | 87 Ų | 87 | 153.9 Ų | 153.9 | 61% | 0.608 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -82.2 | -27.6 | -172.5 | 56.4 | 0 | 0 | 0 | 0 | 115.3 | E476 | E476-S479 PolarHBondContact O-OG 3.31Š|
| 480 | N | 43.7 | Very low | 43.6 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -96.4 | 10.8 | -158.8 | -77.3 | -36.9 | 0 | 0 | 0 | 117.1 | | |
| 481 | N | 43.1 | Very low | 43 | Very low | 156 Ų | 156 | 160.2 Ų | 160.2 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -127.7 | 28.3 | -172.3 | -100.1 | -74.9 | 0 | 0 | 0 | 116.4 | | |
| 482 | L | 46.9 | Very low | 43 | Very low | 170 Ų | 170 | 163.4 Ų | 163.4 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -149.4 | 70.8 | 173.3 | -155.2 | 78.5 | 0 | 0 | 0 | 116.7 | | |
| 483 | K | 41.6 | Very low | 42.9 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | | | trans | -144.1 | 103.1 | 145.1 | -147.4 | 170.2 | -173.8 | -179.1 | 0 | 114.1 | | |
| 484 | R | 38.1 | Very low | 42.7 | Very low | 239 Ų | 239 | 160.8 Ų | 160.8 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | | | trans | -67.5 | 140.5 | 167.8 | -157.3 | 175.8 | -159 | 153.5 | 5 | 108.9 | | |
| 485 | G | 40.9 | Very low | 42.7 | Very low | 77 Ų | 77 | 160.4 Ų | 160.4 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -65.8 | 144.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 486 | T | 41.2 | Very low | 42.6 | Very low | 129 Ų | 129 | 161.1 Ų | 161.1 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | | | trans | -129.4 | 106.6 | 163.7 | 48.9 | 0 | 0 | 0 | 0 | 107.6 | E488 | T486-E488 PolarHBondContact O-N 3.46Š|
| 487 | S | 40.4 | Very low | 42.3 | Very low | 113 Ų | 113 | 160.7 Ų | 160.7 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | | | trans | -73.7 | 115.4 | 174.6 | 51.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 488 | E | 40.3 | Very low | 42.2 | Very low | 196 Ų | 196 | 159 Ų | 159 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -81.1 | 133.5 | 172.7 | -170.6 | 162.5 | -150.3 | 0 | 0 | 109.9 | T486 | T486-E488 PolarHBondContact O-N 3.46Š|
| 489 | T | 46.5 | Very low | 42 | Very low | 113 Ų | 113 | 159.5 Ų | 159.5 | 69% | 0.693 | 82% | 0.823 | S | S | * | * | | | trans | -139 | 125.1 | -176.7 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 490 | R | 40.6 | Very low | 41.6 | Very low | 210 Ų | 210 | 165.5 Ų | 165.5 | 79% | 0.792 | 84% | 0.841 | S | S | * | * | | | trans | 66.2 | 153.3 | 170.9 | -86.1 | 168.7 | 158.5 | 167.2 | -5.5 | 115.8 | | |
| 491 | F | 36 | Very low | 41.4 | Very low | 244 Ų | 244 | 167.7 Ų | 167.7 | 100% | 1.07 | 85% | 0.849 | S | S | * | * | | | cis | -123.7 | 0 | 5.2 | -105.7 | -73.2 | 0 | 0 | 0 | 111.8 | | |