| 1 | M | 49.9 | Very low | 70.5 | Confident | 227 Ų | 227 | 157.1 Ų | 157.1 | 100% | 1.118 | 81% | 0.811 | S | S | * | * | | | | 0 | 98.4 | 0 | -84 | 170.9 | 173.5 | 0 | 0 | 106.8 | N3 | M1-N3 PolarHBondContact O-N 3.44Š|
| 2 | E | 60.2 | Low | 71.4 | Confident | 183 Ų | 183 | 157.3 Ų | 157.3 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -81.7 | 108.2 | -179.1 | -71.8 | 158.7 | -156.1 | 0 | 0 | 108.3 | V4 | E2-V4 PolarHBondContact O-N 3.34Å; E2-V4 VanDerWaalsContact O-N 3.1Å |
| 3 | N | 68.1 | Low | 71.9 | Confident | 158 Ų | 158 | 154.5 Ų | 154.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | -81.7 | 86.2 | 177.1 | -63 | -54.1 | 0 | 0 | 0 | 108.4 | M1 S5 | M1-N3 PolarHBondContact O-N 3.44Å; N3-S5 PolarHBondContact O-N 3.04Å |
| 4 | V | 66.9 | Low | 72.3 | Confident | 129 Ų | 129 | 154.1 Ų | 154.1 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | | | trans | -76.8 | 105 | 176.5 | -152.3 | 0 | 0 | 0 | 0 | 108.4 | E2 | E2-V4 PolarHBondContact O-N 3.34Å; E2-V4 VanDerWaalsContact O-N 3.1Å |
| 5 | S | 74.1 | Confident | 72.5 | Confident | 109 Ų | 109 | 156.2 Ų | 156.2 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 130.4 | 176.5 | 54.7 | 0 | 0 | 0 | 0 | 110.6 | N3 | N3-S5 PolarHBondContact O-N 3.04Š|
| 6 | R | 73.5 | Confident | 72.6 | Confident | 224 Ų | 224 | 154.1 Ų | 154.1 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 142.2 | 175.6 | -63.3 | -176.7 | -178.3 | -147.9 | -0.7 | 110.6 | I8 | R6-I8 PolarHBondContact O-N 3.16Š|
| 7 | P | 71.7 | Confident | 72.5 | Confident | 106 Ų | 106 | 154.2 Ų | 154.2 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 128 | 172 | -19.9 | 31.3 | 0 | 0 | 0 | 110.7 | | |
| 8 | I | 77.1 | Confident | 71.7 | Confident | 154 Ų | 154 | 155.8 Ų | 155.8 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | trans | -92.4 | 100 | 174.9 | -56.4 | 173 | 0 | 0 | 0 | 107.1 | R6 | R6-I8 PolarHBondContact O-N 3.16Š|
| 9 | H | 77 | Confident | 70.9 | Confident | 163 Ų | 163 | 156.8 Ų | 156.8 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -104.5 | 134.2 | 169.6 | -69.8 | -71.6 | 0 | 0 | 0 | 110 | | |
| 10 | H | 78.6 | Confident | 70.1 | Confident | 161 Ų | 161 | 157.6 Ų | 157.6 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 139.1 | 172.7 | -70 | -75.5 | 0 | 0 | 0 | 110.1 | L12 | H10-L12 PolarHBondContact O-N 3.39Š|
| 11 | P | 78.8 | Confident | 69.3 | Low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 127 | 175.7 | 26.5 | -32.3 | 0 | 0 | 0 | 109.5 | | |
| 12 | L | 80.7 | Confident | 69.7 | Low | 159 Ų | 159 | 156.1 Ų | 156.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84 | 116.1 | 170.8 | -62.7 | 177 | 0 | 0 | 0 | 108 | H10 | H10-L12 PolarHBondContact O-N 3.39Š|
| 13 | V | 78.3 | Confident | 69.1 | Low | 121 Ų | 121 | 156 Ų | 156 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -93.2 | 105.5 | 174.1 | -178.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 14 | L | 78 | Confident | 68.2 | Low | 149 Ų | 149 | 157.1 Ų | 157.1 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | | | trans | -80.8 | 118.6 | 172.5 | -60.9 | 175.9 | 0 | 0 | 0 | 108.5 | T16 | L14-T16 PolarHBondContact O-N 2.85Š|
| 15 | K | 74.7 | Confident | 67.4 | Low | 186 Ų | 186 | 160.8 Ų | 160.8 | 81% | 0.809 | 80% | 0.8 | S | S | * | * | | | trans | -87.2 | 101.2 | 171.5 | -67.2 | -177.1 | 179.4 | -178.6 | 0 | 108 | | |
| 16 | T | 74.6 | Confident | 66.1 | Low | 122 Ų | 122 | 164 Ų | 164 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | trans | -82.3 | 113.3 | 168.6 | 55.3 | 0 | 0 | 0 | 0 | 107.7 | L14 F18 | L14-T16 PolarHBondContact O-N 2.85Å; T16-F18 PolarHBondContact O-N 3.31Å |
| 17 | N | 71.1 | Confident | 65.2 | Low | 157 Ų | 157 | 161.5 Ų | 161.5 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | trans | -80.6 | 109.9 | 162.2 | -57.7 | -54.8 | 0 | 0 | 0 | 105.3 | E19 | N17-E19 PolarHBondContact O-N 3.43Š|
| 18 | F | 57.5 | Low | 63.9 | Low | 183 Ų | 183 | 162 Ų | 162 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | | | trans | -86.4 | 97.7 | 172.7 | -150.5 | -94.3 | 0 | 0 | 0 | 106.1 | T16 | T16-F18 PolarHBondContact O-N 3.31Š|
| 19 | E | 56.5 | Low | 62.9 | Low | 175 Ų | 175 | 161.4 Ų | 161.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -83.3 | 112.3 | 161.2 | -168.2 | 156.8 | -159 | 0 | 0 | 104.9 | N17 E21 | N17-E19 PolarHBondContact O-N 3.43Å; E19-E21 PolarHBondContact O-N 3.44Å |
| 20 | E | 54.8 | Low | 61.5 | Low | 172 Ų | 172 | 158.7 Ų | 158.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -71.5 | 82 | 177.7 | -171.4 | 173.4 | -155.5 | 0 | 0 | 107.4 | E22 | E20-E22 PolarHBondContact O-N 3.34Š|
| 21 | E | 53.5 | Low | 59.9 | Low | 165 Ų | 165 | 155.8 Ų | 155.8 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | | | trans | -73.3 | 112.9 | 159.5 | -87.7 | -176 | 152 | 0 | 0 | 106.8 | E19 E23 | E19-E21 PolarHBondContact O-N 3.44Å; E21-E23 PolarHBondContact O-N 3.1Å |
| 22 | E | 58.8 | Low | 58.8 | Low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -56.6 | 92.6 | 157.6 | -82.1 | -178.7 | 144.2 | 0 | 0 | 107.3 | E20 E24 | E20-E22 PolarHBondContact O-N 3.34Å; E22-E24 PolarHBondContact O-N 3.21Å |
| 23 | E | 46.4 | Very low | 57.7 | Low | 179 Ų | 179 | 149.7 Ų | 149.7 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | -68.9 | 111.4 | 162 | -94 | -177.9 | 162.3 | 0 | 0 | 107.2 | E21 | E21-E23 PolarHBondContact O-N 3.1Š|
| 24 | E | 49.7 | Very low | 56.4 | Low | 182 Ų | 182 | 151.7 Ų | 151.7 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | | | trans | -41.8 | 141.5 | 164.6 | -70.3 | -178.2 | 148.8 | 0 | 0 | 110.2 | E22 E26 | E22-E24 PolarHBondContact O-N 3.21Å; E24-E26 PolarHBondContact O-N 2.89Å |
| 25 | E | 49.6 | Very low | 55.6 | Low | 206 Ų | 206 | 154.2 Ų | 154.2 | 96% | 0.963 | 78% | 0.776 | S | S | * | * | | | trans | -59.6 | 71.4 | 176 | -164.1 | -179.6 | -155 | 0 | 0 | 111 | E27 | E25-E27 PolarHBondContact O-N 3.37Š|
| 26 | E | 46.7 | Very low | 55 | Low | 177 Ų | 177 | 152 Ų | 152 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | -92.4 | 93 | 166.8 | -161.6 | 174.3 | -169 | 0 | 0 | 107.3 | E24 P28 | E24-E26 PolarHBondContact O-N 2.89Å; E26-P28 WeakPolarHBondContact O-CD 3.35Å |
| 27 | E | 54.4 | Low | 55.3 | Low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | | | trans | -37.9 | 109.7 | 162.9 | 180 | 177.3 | -172.5 | 0 | 0 | 108.5 | E25 N29 | E25-E27 PolarHBondContact O-N 3.37Å; E27-N29 VanDerWaalsContact C-N 3.34Å; E27-N29 PolarHBondContact O-N 2.91Å |
| 28 | P | 45.8 | Very low | 55.9 | Low | 116 Ų | 116 | 146.1 Ų | 146.1 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | trans | -64.6 | 108.2 | 173.4 | 25 | -30.6 | 0 | 0 | 0 | 105.1 | E26 D30 | E26-P28 WeakPolarHBondContact O-CD 3.35Å; P28-D30 PolarHBondContact O-N 3.42Å |
| 29 | N | 55.7 | Low | 57.4 | Low | 142 Ų | 142 | 142.8 Ų | 142.8 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | | | trans | -47.6 | 94.9 | 169.6 | -175.9 | -1.9 | 0 | 0 | 0 | 107.3 | E27 A31 | E27-N29 VanDerWaalsContact C-N 3.34Å; E27-N29 PolarHBondContact O-N 2.91Å; N29-A31 PolarHBondContact O-N 3.49Å |
| 30 | D | 48.3 | Very low | 58.8 | Low | 107 Ų | 107 | 141.7 Ų | 141.7 | 57% | 0.572 | 73% | 0.732 | S | S | * | * | | | trans | -57.2 | 112.8 | -172 | 174.9 | 29.9 | 0 | 0 | 0 | 107.2 | P28 S32 S33 | P28-D30 PolarHBondContact O-N 3.42Å; D30-S32 PolarHBondContact O-N 2.81Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-OG 3.19Å; D30-S33 PolarHBondContact O-N 3.03Å |
| 31 | A | 43.3 | Very low | 60.4 | Low | 100 Ų | 100 | 137.2 Ų | 137.2 | 83% | 0.826 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | 11.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | N29 S33 | N29-A31 PolarHBondContact O-N 3.49Å; A31-S33 VanDerWaalsContact C-N 3.34Å |
| 32 | S | 56.4 | Low | 62.3 | Low | 48 Ų | 48 | 134 Ų | 134 | 34% | 0.336 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | 1.3 | 170.6 | 84.8 | 0 | 0 | 0 | 0 | 114.8 | D30 L34 W35 | D30-S32 PolarHBondContact O-N 2.81Å; D30-S32 WeakPolarHBondContact OD2-CB 3.33Å; D30-S32 PolarHBondContact OD2-OG 3.19Å; S32-L34 PolarHBondContact O-N 2.86Å; S32-W35 PolarHBondContact O-N 3.2Å |
| 33 | S | 57.6 | Low | 63.9 | Low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 0 | 178.7 | -177.5 | 0 | 0 | 0 | 0 | 115.8 | D30 A31 W35 | D30-S33 PolarHBondContact O-N 3.03Å; A31-S33 VanDerWaalsContact C-N 3.34Å; S33-W35 VanDerWaalsContact C-N 3.31Å |
| 34 | L | 51.2 | Low | 66 | Low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -7 | 179.1 | -145.2 | 127.1 | 0 | 0 | 0 | 113.9 | S32 | S32-L34 PolarHBondContact O-N 2.86Š|
| 35 | W | 61.6 | Low | 68.1 | Low | 202 Ų | 202 | 124.6 Ų | 124.6 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -96.8 | 116.5 | 177.9 | -68.4 | 33.1 | 0 | 0 | 0 | 108.1 | S32 S33 K37 | S32-W35 PolarHBondContact O-N 3.2Å; S33-W35 VanDerWaalsContact C-N 3.31Å; W35-K37 VanDerWaalsContact C-N 3.31Å; W35-K37 PolarHBondContact O-N 3.39Å |
| 36 | T | 61.9 | Low | 70.2 | Confident | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 63% | 0.634 | S | S | * | * | | | trans | -62.1 | 94.8 | 171.2 | 45.5 | 0 | 0 | 0 | 0 | 108.4 | T38 | T36-T38 PolarHBondContact O-N 3.32Š|
| 37 | K | 80 | Confident | 72.4 | Confident | 84 Ų | 84 | 115.6 Ų | 115.6 | 37% | 0.365 | 61% | 0.611 | S | S | . | * | | | trans | -62.5 | 129.1 | 175.5 | -70.8 | 167.3 | 178.3 | 159.7 | 0 | 108.7 | W35 I42 | W35-K37 VanDerWaalsContact C-N 3.31Å; W35-K37 PolarHBondContact O-N 3.39Å; K37-I42 HydrophobicContact CB-CD1 4.3Å; K37-I42 HydrophobicContact CB-CG1 3.91Å |
| 38 | T | 85.3 | Confident | 74.3 | Confident | 71 Ų | 71 | 111.9 Ų | 111.9 | 44% | 0.436 | 60% | 0.596 | S | S | . | * | | | trans | -69.8 | 155.5 | 172.9 | 57.2 | 0 | 0 | 0 | 0 | 109.3 | T36 E40 E41 I42 | T36-T38 PolarHBondContact O-N 3.32Å; T38-E40 PolarHBondContact O-N 3.2Å; T38-E41 PolarHBondContact O-N 3.09Å; T38-E41 VanDerWaalsContact O-N 3.09Å; T38-E41 WeakPolarHBondContact OG1-CB 3.21Å; T38-E41 PolarHBondContact OG1-N 2.89Å; T38-I42 WeakPolarHBondContact O-CG1 3.28Å; T38-I42 PolarHBondContact O-N 2.8Å; T38-I42 VanDerWaalsContact O-N 3.12Å |
| 39 | P | 87.4 | Confident | 76.5 | Confident | 113 Ų | 113 | 113.8 Ų | 113.8 | 73% | 0.734 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.2 | -30.7 | 176.2 | 20.2 | -31.5 | 0 | 0 | 0 | 112.8 | E43 | P39-E43 PolarHBondContact O-N 3.2Å; P39-E43 VanDerWaalsContact O-N 3.1Å |
| 40 | E | 86.3 | Confident | 78.2 | Confident | 152 Ų | 152 | 113.2 Ų | 113.2 | 71% | 0.71 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.5 | -44.8 | 174.4 | -174.3 | 174.2 | -170 | 0 | 0 | 112 | T38 I42 E43 E44 | T38-E40 PolarHBondContact O-N 3.2Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 2.69Å; E40-E43 CarbonylContact O-C 3.6Å; E40-E43 PolarHBondContact O-N 3.15Å; E40-E44 WeakPolarHBondContact O-CB 3.26Å; E40-E44 PolarHBondContact O-N 2.88Å |
| 41 | E | 89.2 | Confident | 80.3 | Confident | 79 Ų | 79 | 114 Ų | 114 | 37% | 0.369 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.4 | -31.1 | 178.8 | -169 | 178.8 | 179.2 | 0 | 0 | 112.3 | T38 K45 | T38-E41 PolarHBondContact O-N 3.09Å; T38-E41 VanDerWaalsContact O-N 3.09Å; T38-E41 WeakPolarHBondContact OG1-CB 3.21Å; T38-E41 PolarHBondContact OG1-N 2.89Å; E41-K45 WeakPolarHBondContact O-CB 3.26Å; E41-K45 PolarHBondContact O-N 3.15Å |
| 42 | I | 91.8 | Very high | 82.5 | Confident | 96 Ų | 96 | 111.1 Ų | 111.1 | 49% | 0.492 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.7 | -42.5 | 173.1 | -63.6 | 171.5 | 0 | 0 | 0 | 110.6 | K37 T38 E40 R46 | K37-I42 HydrophobicContact CB-CD1 4.3Å; K37-I42 HydrophobicContact CB-CG1 3.91Å; T38-I42 WeakPolarHBondContact O-CG1 3.28Å; T38-I42 PolarHBondContact O-N 2.8Å; T38-I42 VanDerWaalsContact O-N 3.12Å; E40-I42 VanDerWaalsContact C-N 3.3Å; E40-I42 PolarHBondContact O-N 2.69Å; I42-R46 PolarHBondContact O-N 3.48Å |
| 43 | E | 93.6 | Very high | 84 | Confident | 102 Ų | 102 | 117.8 Ų | 117.8 | 48% | 0.477 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 174.2 | 173.6 | 160.9 | -143.1 | 0 | 0 | 112.2 | P39 E40 R46 A47 | P39-E43 PolarHBondContact O-N 3.2Å; P39-E43 VanDerWaalsContact O-N 3.1Å; E40-E43 CarbonylContact O-C 3.6Å; E40-E43 PolarHBondContact O-N 3.15Å; E43-R46 VanDerWaalsContact O-CG 3.3Å; E43-R46 WeakPolarHBondContact O-CG 3.48Å; E43-R46 PolarHBondContact O-N 3.28Å; E43-R46 IonicContact OE1-CZ 3.57Å; E43-R46 IonicContact OE1-NE 3.95Å; E43-R46 IonicContact OE1-NH2 2.7Å; E43-R46 PolarHBondContact OE1-NH2 3.42Å; E43-A47 VanDerWaalsContact O-CB 3.3Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.77Å |
| 44 | E | 91.2 | Very high | 85.5 | Confident | 116 Ų | 116 | 121.2 Ų | 121.2 | 54% | 0.542 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63 | -47.9 | 174.8 | -174.4 | -179.5 | 180 | 0 | 0 | 110.9 | E40 R46 A47 I48 | E40-E44 WeakPolarHBondContact O-CB 3.26Å; E40-E44 PolarHBondContact O-N 2.88Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; E44-A47 PolarHBondContact O-N 3.33Å; E44-I48 HydrophobicContact CG-CD1 3.83Å; E44-I48 HydrophobicContact CG-CG1 4.47Å; E44-I48 VanDerWaalsContact O-CG1 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.22Å; E44-I48 PolarHBondContact O-N 2.87Å |
| 45 | K | 92.6 | Very high | 87.1 | Confident | 135 Ų | 135 | 116.3 Ų | 116.3 | 59% | 0.587 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.8 | -39.6 | 176.9 | -175.3 | 176.9 | 177.1 | 178.6 | 0 | 111.9 | E41 K49 | E41-K45 WeakPolarHBondContact O-CB 3.26Å; E41-K45 PolarHBondContact O-N 3.15Å; K45-K49 VanDerWaalsContact O-CB 3.29Å; K45-K49 WeakPolarHBondContact O-CB 3.39Å; K45-K49 PolarHBondContact O-N 2.82Å |
| 46 | R | 93.5 | Very high | 87.9 | Confident | 152 Ų | 152 | 109 Ų | 109 | 57% | 0.574 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.9 | -39.9 | 178 | 97.8 | -164.2 | 173.5 | 173.3 | 1.9 | 111.3 | I42 E43 E44 K49 E50 | I42-R46 PolarHBondContact O-N 3.48Å; E43-R46 VanDerWaalsContact O-CG 3.3Å; E43-R46 WeakPolarHBondContact O-CG 3.48Å; E43-R46 PolarHBondContact O-N 3.28Å; E43-R46 IonicContact OE1-CZ 3.57Å; E43-R46 IonicContact OE1-NE 3.95Å; E43-R46 IonicContact OE1-NH2 2.7Å; E43-R46 PolarHBondContact OE1-NH2 3.42Å; E44-R46 VanDerWaalsContact C-N 3.29Å; E44-R46 PolarHBondContact O-N 3.42Å; R46-K49 PolarHBondContact O-N 3.44Å; R46-E50 WeakPolarHBondContact O-CB 3.3Å; R46-E50 PolarHBondContact O-N 2.89Å |
| 47 | A | 94.3 | Very high | 88.1 | Confident | 43 Ų | 43 | 108.5 Ų | 108.5 | 36% | 0.355 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | E43 E44 K49 E50 M51 | E43-A47 VanDerWaalsContact O-CB 3.3Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.77Å; E44-A47 PolarHBondContact O-N 3.33Å; A47-K49 PolarHBondContact O-N 3.29Å; A47-E50 PolarHBondContact O-N 3.5Å; A47-M51 WeakPolarHBondContact O-CB 3.31Å; A47-M51 VanDerWaalsContact O-CG 3.22Å; A47-M51 WeakPolarHBondContact O-CG 3.4Å; A47-M51 PolarHBondContact O-N 3.44Å |
| 48 | I | 92.9 | Very high | 87.4 | Confident | 93 Ų | 93 | 112.3 Ų | 112.3 | 48% | 0.477 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.3 | -45.7 | 175.5 | -64.9 | 167.2 | 0 | 0 | 0 | 110.3 | E44 E50 M51 C52 | E44-I48 HydrophobicContact CG-CD1 3.83Å; E44-I48 HydrophobicContact CG-CG1 4.47Å; E44-I48 VanDerWaalsContact O-CG1 3.31Å; E44-I48 WeakPolarHBondContact O-CG1 3.22Å; E44-I48 PolarHBondContact O-N 2.87Å; I48-E50 PolarHBondContact O-N 2.79Å; I48-M51 PolarHBondContact O-N 3.07Å; I48-C52 WeakPolarHBondContact O-CB 3.42Å; I48-C52 PolarHBondContact O-N 3.28Å; I48-C52 PolarHBondContact O-SG 2.9Å |
| 49 | K | 92 | Very high | 86.2 | Confident | 156 Ų | 156 | 117 Ų | 117 | 68% | 0.678 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.2 | -44.7 | 178.2 | -174.9 | 174.9 | -178.1 | 176.1 | 0 | 112 | K45 R46 A47 C52 Y53 | K45-K49 VanDerWaalsContact O-CB 3.29Å; K45-K49 WeakPolarHBondContact O-CB 3.39Å; K45-K49 PolarHBondContact O-N 2.82Å; R46-K49 PolarHBondContact O-N 3.44Å; A47-K49 PolarHBondContact O-N 3.29Å; K49-C52 PolarHBondContact O-N 3.36Å; K49-Y53 VanDerWaalsContact O-CB 3.28Å; K49-Y53 WeakPolarHBondContact O-CB 3.41Å; K49-Y53 PolarHBondContact O-N 3.4Å |
| 50 | E | 91.8 | Very high | 84.9 | Confident | 129 Ų | 129 | 120.7 Ų | 120.7 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -43.4 | 177.2 | -175.1 | -179 | 169.7 | 0 | 0 | 111.5 | R46 A47 I48 Y53 K54 | R46-E50 WeakPolarHBondContact O-CB 3.3Å; R46-E50 PolarHBondContact O-N 2.89Å; A47-E50 PolarHBondContact O-N 3.5Å; I48-E50 PolarHBondContact O-N 2.79Å; E50-Y53 PolarHBondContact O-N 3.28Å; E50-K54 VanDerWaalsContact O-CB 3.26Å; E50-K54 WeakPolarHBondContact O-CB 3.47Å; E50-K54 PolarHBondContact O-N 3.01Å |
| 51 | M | 91.9 | Very high | 83.2 | Confident | 124 Ų | 124 | 121.6 Ų | 121.6 | 61% | 0.611 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62.6 | -45.4 | 177.3 | -72.6 | -59.9 | -61.2 | 0 | 0 | 111.9 | A47 I48 K54 S55 | A47-M51 WeakPolarHBondContact O-CB 3.31Å; A47-M51 VanDerWaalsContact O-CG 3.22Å; A47-M51 WeakPolarHBondContact O-CG 3.4Å; A47-M51 PolarHBondContact O-N 3.44Å; I48-M51 PolarHBondContact O-N 3.07Å; M51-K54 PolarHBondContact O-N 2.81Å; M51-S55 VanDerWaalsContact O-CB 3.26Å; M51-S55 WeakPolarHBondContact O-CB 3.26Å; M51-S55 PolarHBondContact O-N 2.7Å; M51-S55 PolarHBondContact O-OG 3.29Å |
| 52 | C | 90.3 | Very high | 81.6 | Confident | 40 Ų | 40 | 125.6 Ų | 125.6 | 27% | 0.27 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.2 | -35.8 | 177.3 | -67.3 | 0 | 0 | 0 | 0 | 112.9 | I48 K49 S55 G56 E57 | I48-C52 WeakPolarHBondContact O-CB 3.42Å; I48-C52 PolarHBondContact O-N 3.28Å; I48-C52 PolarHBondContact O-SG 2.9Å; K49-C52 PolarHBondContact O-N 3.36Å; C52-S55 WeakPolarHBondContact CA-OG 3.3Å; C52-S55 PolarHBondContact O-OG 3.37Å; C52-G56 PolarHBondContact O-N 2.94Å; C52-E57 PolarHBondContact O-N 2.89Å |
| 53 | Y | 86.9 | Confident | 80.1 | Confident | 187 Ų | 187 | 124.5 Ų | 124.5 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -42.6 | 174.7 | -177.9 | -98.9 | 0 | 0 | 0 | 110.9 | K49 E50 G56 | K49-Y53 VanDerWaalsContact O-CB 3.28Å; K49-Y53 WeakPolarHBondContact O-CB 3.41Å; K49-Y53 PolarHBondContact O-N 3.4Å; E50-Y53 PolarHBondContact O-N 3.28Å; Y53-G56 PolarHBondContact O-N 3.02Å |
| 54 | K | 89.6 | Confident | 78.4 | Confident | 169 Ų | 169 | 124.6 Ų | 124.6 | 74% | 0.735 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -74.6 | -31.9 | 178.8 | -167.9 | 177.8 | -178.8 | -176.5 | 0 | 113.1 | E50 M51 G56 | E50-K54 VanDerWaalsContact O-CB 3.26Å; E50-K54 WeakPolarHBondContact O-CB 3.47Å; E50-K54 PolarHBondContact O-N 3.01Å; M51-K54 PolarHBondContact O-N 2.81Å; K54-G56 PolarHBondContact O-N 3.48Å |
| 55 | S | 86.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 125.2 Ų | 125.2 | 42% | 0.42 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.9 | -12.6 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | M51 C52 E57 | M51-S55 VanDerWaalsContact O-CB 3.26Å; M51-S55 WeakPolarHBondContact O-CB 3.26Å; M51-S55 PolarHBondContact O-N 2.7Å; M51-S55 PolarHBondContact O-OG 3.29Å; C52-S55 WeakPolarHBondContact CA-OG 3.3Å; C52-S55 PolarHBondContact O-OG 3.37Å; S55-E57 PolarHBondContact O-N 3.35Å; S55-E57 WeakPolarHBondContact OG-CG 3.48Å; S55-E57 PolarHBondContact OG-OE2 3.15Å |
| 56 | G | 77.9 | Confident | 74.2 | Confident | 49 Ų | 49 | 126 Ų | 126 | 51% | 0.505 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67.4 | 12.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C52 Y53 K54 Y58 | C52-G56 PolarHBondContact O-N 2.94Å; Y53-G56 PolarHBondContact O-N 3.02Å; K54-G56 PolarHBondContact O-N 3.48Å; G56-Y58 PolarHBondContact O-N 3.38Å |
| 57 | E | 65.6 | Low | 72.3 | Confident | 129 Ų | 129 | 126 Ų | 126 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -73.3 | -12.7 | 179.6 | -69.7 | 173.1 | 145 | 0 | 0 | 112.5 | C52 S55 Y59 | C52-E57 PolarHBondContact O-N 2.89Å; S55-E57 PolarHBondContact O-N 3.35Å; S55-E57 WeakPolarHBondContact OG-CG 3.48Å; S55-E57 PolarHBondContact OG-OE2 3.15Å; E57-Y59 VanDerWaalsContact C-N 3.29Å; E57-Y59 PolarHBondContact O-N 2.9Å |
| 58 | Y | 65 | Low | 70.1 | Confident | 164 Ų | 164 | 129.8 Ų | 129.8 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -72.9 | -16.6 | -177.8 | -154.6 | -103.2 | 0 | 0 | 0 | 114.1 | G56 | G56-Y58 PolarHBondContact O-N 3.38Š|
| 59 | Y | 59.7 | Low | 68.1 | Low | 170 Ų | 170 | 131.1 Ų | 131.1 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -136.7 | 68.9 | 176.4 | -74.6 | -70.2 | 0 | 0 | 0 | 111.5 | E57 F61 | E57-Y59 VanDerWaalsContact C-N 3.29Å; E57-Y59 PolarHBondContact O-N 2.9Å; Y59-F61 VanDerWaalsContact C-N 3.33Å; Y59-F61 AromaticContact CD1-CD2 3.78Å; Y59-F61 HydrophobicContact CD1-CD2 3.78Å; Y59-F61 AromaticContact CD1-CE2 3.3Å; Y59-F61 HydrophobicContact CD1-CE2 3.3Å; Y59-F61 HydrophobicContact CD1-CZ 4.21Å; Y59-F61 AromaticContact CE1-CE2 3.65Å; Y59-F61 HydrophobicContact CE1-CE2 3.65Å; Y59-F61 HydrophobicContact CE1-CZ 4.25Å; Y59-F61 HydrophobicContact CG-CE2 4.46Å; Y59-F61 PolarHBondContact O-N 3.17Å |
| 60 | R | 61.7 | Low | 65.9 | Low | 189 Ų | 189 | 129.2 Ų | 129.2 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | | | trans | -95.3 | 71.8 | 155.7 | -160.8 | 179.4 | -67.1 | 170.6 | 1.8 | 108.5 | H62 | R60-H62 PolarHBondContact O-N 2.89Š|
| 61 | F | 49.8 | Very low | 63.7 | Low | 171 Ų | 171 | 133 Ų | 133 | 75% | 0.75 | 69% | 0.689 | S | S | * | * | | | trans | -57.8 | 112.6 | 157.7 | -78.9 | -75.1 | 0 | 0 | 0 | 106.6 | Y59 A63 | Y59-F61 VanDerWaalsContact C-N 3.33Å; Y59-F61 AromaticContact CD1-CD2 3.78Å; Y59-F61 HydrophobicContact CD1-CD2 3.78Å; Y59-F61 AromaticContact CD1-CE2 3.3Å; Y59-F61 HydrophobicContact CD1-CE2 3.3Å; Y59-F61 HydrophobicContact CD1-CZ 4.21Å; Y59-F61 AromaticContact CE1-CE2 3.65Å; Y59-F61 HydrophobicContact CE1-CE2 3.65Å; Y59-F61 HydrophobicContact CE1-CZ 4.25Å; Y59-F61 HydrophobicContact CG-CE2 4.46Å; Y59-F61 PolarHBondContact O-N 3.17Å; F61-A63 PolarHBondContact O-N 2.76Å |
| 62 | H | 56.2 | Low | 61.5 | Low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | -66.5 | 91.2 | 161.7 | -74.4 | -78.5 | 0 | 0 | 0 | 106.2 | R60 | R60-H62 PolarHBondContact O-N 2.89Š|
| 63 | A | 58.9 | Low | 59.2 | Low | 74 Ų | 74 | 137 Ų | 137 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | | | trans | -53.3 | 130.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | F61 | F61-A63 PolarHBondContact O-N 2.76Š|
| 64 | P | 58 | Low | 57 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 68% | 0.675 | 72% | 0.724 | S | S | * | * | | | trans | -50.6 | 139.9 | 170.3 | -22.6 | 32.4 | 0 | 0 | 0 | 108.6 | D66 | P64-D66 PolarHBondContact O-N 2.72Š|
| 65 | P | 50 | Low | 54.8 | Low | 128 Ų | 128 | 130.3 Ų | 130.3 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | | | trans | -60.5 | 105.8 | 178.9 | 22.6 | -30.2 | 0 | 0 | 0 | 109.1 | I67 | P65-I67 PolarHBondContact O-N 2.99Å; P65-I67 VanDerWaalsContact O-N 3.16Å |
| 66 | D | 45.6 | Very low | 52.3 | Low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -61.2 | 118.7 | 172.8 | -74.5 | -41 | 0 | 0 | 0 | 108.6 | P64 | P64-D66 PolarHBondContact O-N 2.72Š|
| 67 | I | 53.4 | Low | 50.5 | Low | 153 Ų | 153 | 137.8 Ų | 137.8 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | -44.4 | 145.1 | 169.9 | 25.5 | 170.7 | 0 | 0 | 0 | 112.2 | P65 S69 | P65-I67 PolarHBondContact O-N 2.99Å; P65-I67 VanDerWaalsContact O-N 3.16Å; I67-S69 PolarHBondContact O-N 2.68Å |
| 68 | P | 49.9 | Very low | 49.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | | | trans | -74.4 | 102.1 | -168.1 | 30.3 | -34.2 | 0 | 0 | 0 | 111.7 | S70 | P68-S70 PolarHBondContact O-N 3.35Š|
| 69 | S | 50.3 | Low | 48.4 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -88 | 102.5 | 168.6 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | I67 K71 | I67-S69 PolarHBondContact O-N 2.68Å; S69-K71 PolarHBondContact O-N 3.35Å |
| 70 | S | 46.3 | Very low | 47.6 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -69.4 | 112.7 | 175.8 | -68.4 | 0 | 0 | 0 | 0 | 111.3 | P68 | P68-S70 PolarHBondContact O-N 3.35Š|
| 71 | K | 43.7 | Very low | 46.7 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | | | trans | -159.3 | 120.3 | 140.4 | -133 | 164 | -176.5 | 167.9 | 0 | 112.9 | S69 | S69-K71 PolarHBondContact O-N 3.35Š|
| 72 | S | 46.6 | Very low | 46.1 | Very low | 110 Ų | 110 | 138.9 Ų | 138.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -47.8 | 132 | 169.8 | 160.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 73 | V | 41.6 | Very low | 45.8 | Very low | 138 Ų | 138 | 140.5 Ų | 140.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -149.4 | 118.9 | 138.2 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 74 | A | 41.8 | Very low | 45 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 135.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 75 | P | 43.1 | Very low | 44.5 | Very low | 126 Ų | 126 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 141.6 | 160.4 | 32.1 | -21.6 | 0 | 0 | 0 | 110.8 | | |
| 76 | T | 34.1 | Very low | 44 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 151.6 | -172.1 | 37.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 77 | V | 39.4 | Very low | 44 | Very low | 129 Ų | 129 | 145.3 Ų | 145.3 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -37.6 | 149.1 | 164.9 | 139.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 78 | E | 36.8 | Very low | 43.7 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | trans | 121.3 | 120.3 | 152.3 | 87.4 | -167.4 | 114.1 | 0 | 0 | 114 | | |
| 79 | K | 49.3 | Very low | 43.8 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | | | cis | -156 | 160.5 | 13.7 | -62.9 | -164.5 | 178.9 | 179.6 | 0 | 111.5 | | |
| 80 | E | 43.2 | Very low | 44 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -15.2 | 124.3 | 158.4 | -76.1 | 174.4 | 125.5 | 0 | 0 | 116.8 | | |
| 81 | L | 43.7 | Very low | 44.8 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -145.3 | 109.5 | 138.7 | -134.1 | 145.3 | 0 | 0 | 0 | 109.6 | | |
| 82 | E | 35.9 | Very low | 45.5 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | 9.6 | 126.3 | 162.5 | -68.9 | 172.6 | 137.8 | 0 | 0 | 119.6 | | |
| 83 | K | 49.8 | Very low | 46.2 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -46.6 | 128.2 | 157.4 | -57.5 | 160.6 | -177.6 | -179.7 | 0 | 109.6 | L85 | K83-L85 PolarHBondContact O-N 3.03Š|
| 84 | P | 42.8 | Very low | 46.8 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | trans | -67.8 | 115.4 | 147.3 | 27.8 | -26.9 | 0 | 0 | 0 | 106.6 | E86 | P84-E86 PolarHBondContact O-N 3.28Š|
| 85 | L | 46.7 | Very low | 47.8 | Very low | 158 Ų | 158 | 146.5 Ų | 146.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -54.2 | 85.2 | 155.6 | 174.6 | 69.9 | 0 | 0 | 0 | 107.2 | K83 T87 | K83-L85 PolarHBondContact O-N 3.03Å; L85-T87 PolarHBondContact O-N 3.16Å |
| 86 | E | 41.2 | Very low | 48.6 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -83.6 | 94.9 | 167.6 | -163.8 | 158.8 | -159.2 | 0 | 0 | 106.2 | P84 G88 | P84-E86 PolarHBondContact O-N 3.28Å; E86-G88 PolarHBondContact O-N 3.32Å |
| 87 | T | 44.7 | Very low | 49.8 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | trans | -40.1 | 103.1 | 160.9 | -57.3 | 0 | 0 | 0 | 0 | 108 | L85 S89 | L85-T87 PolarHBondContact O-N 3.16Å; T87-S89 PolarHBondContact O-N 3.37Å |
| 88 | G | 46.9 | Very low | 50.9 | Low | 75 Ų | 75 | 144 Ų | 144 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -63.9 | 88.7 | 172 | 0 | 0 | 0 | 0 | 0 | 108.6 | E86 E90 | E86-G88 PolarHBondContact O-N 3.32Å; G88-E90 VanDerWaalsContact C-N 3.26Å; G88-E90 PolarHBondContact O-N 3.34Å; G88-E90 VanDerWaalsContact O-N 3.09Å |
| 89 | S | 52.6 | Low | 51.8 | Low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | | | trans | -74.1 | 94.5 | 159.4 | 56.4 | 0 | 0 | 0 | 0 | 105.7 | T87 L91 | T87-S89 PolarHBondContact O-N 3.37Å; S89-L91 VanDerWaalsContact C-N 3.25Å; S89-L91 PolarHBondContact O-N 2.96Å |
| 90 | E | 54.5 | Low | 51.9 | Low | 188 Ų | 188 | 139.9 Ų | 139.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | -47.1 | 94.3 | 160.7 | -177.4 | 176.4 | -166.3 | 0 | 0 | 107.8 | G88 Q92 | G88-E90 VanDerWaalsContact C-N 3.26Å; G88-E90 PolarHBondContact O-N 3.34Å; G88-E90 VanDerWaalsContact O-N 3.09Å; E90-Q92 PolarHBondContact O-N 2.81Å |
| 91 | L | 61.8 | Low | 52.5 | Low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | | | trans | -66.2 | 108.2 | 167.4 | -68.4 | 177.6 | 0 | 0 | 0 | 104.8 | S89 E93 | S89-L91 VanDerWaalsContact C-N 3.25Å; S89-L91 PolarHBondContact O-N 2.96Å; L91-E93 PolarHBondContact O-N 2.7Å |
| 92 | Q | 59.3 | Low | 53.2 | Low | 177 Ų | 177 | 136.9 Ų | 136.9 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -62.4 | 91.5 | 166.5 | -176.3 | -179.2 | -35.9 | 0 | 0 | 107.2 | E90 G94 | E90-Q92 PolarHBondContact O-N 2.81Å; Q92-G94 PolarHBondContact O-N 3.26Å |
| 93 | E | 60.5 | Low | 54 | Low | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -62.7 | 101 | 165.2 | -69.4 | 179.1 | 166.7 | 0 | 0 | 107.1 | L91 | L91-E93 PolarHBondContact O-N 2.7Š|
| 94 | G | 54.9 | Low | 53.8 | Low | 55 Ų | 55 | 132.5 Ų | 132.5 | 57% | 0.567 | 75% | 0.754 | S | S | * | * | | | trans | -179.3 | 73.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q92 | Q92-G94 PolarHBondContact O-N 3.26Š|
| 95 | D | 61.9 | Low | 53.9 | Low | 164 Ų | 164 | 133.7 Ų | 133.7 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | | | trans | -119.6 | 54.3 | 144.2 | -162.8 | 10 | 0 | 0 | 0 | 109.5 | L97 | D95-L97 PolarHBondContact O-N 3.46Š|
| 96 | G | 61.3 | Low | 53.9 | Low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -87.7 | 85 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | T98 | G96-T98 PolarHBondContact O-N 3.21Š|
| 97 | L | 59.5 | Low | 54.4 | Low | 162 Ų | 162 | 135.8 Ų | 135.8 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | 39.4 | 73.7 | 149 | -164.6 | 78 | 0 | 0 | 0 | 115.1 | D95 | D95-L97 PolarHBondContact O-N 3.46Š|
| 98 | T | 61.2 | Low | 54.4 | Low | 117 Ų | 117 | 140.7 Ų | 140.7 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | trans | -120.3 | 106.1 | 164.4 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | G96 P100 | G96-T98 PolarHBondContact O-N 3.21Å; T98-P100 VanDerWaalsContact O-CD 3.26Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å |
| 99 | V | 56.3 | Low | 54.5 | Low | 113 Ų | 113 | 142.1 Ų | 142.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | | | trans | -62.1 | 120.2 | 160.3 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | T101 | V99-T101 PolarHBondContact O-N 3.07Š|
| 100 | P | 51.2 | Low | 54.2 | Low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | | | trans | -68.9 | 90 | 168.3 | -14.4 | 30.5 | 0 | 0 | 0 | 107.8 | T98 K102 | T98-P100 VanDerWaalsContact O-CD 3.26Å; T98-P100 WeakPolarHBondContact O-CD 3.43Å; P100-K102 PolarHBondContact O-N 3.15Å |
| 101 | T | 55.4 | Low | 53.8 | Low | 103 Ų | 103 | 141.1 Ų | 141.1 | 63% | 0.632 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 111.1 | 172.8 | -62.2 | 0 | 0 | 0 | 0 | 106.9 | V99 | V99-T101 PolarHBondContact O-N 3.07Š|
| 102 | K | 59.3 | Low | 53 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 89.5 | 114.6 | 168.1 | -40.4 | -147.1 | -174.5 | -176.2 | 0 | 116 | P100 S104 | P100-K102 PolarHBondContact O-N 3.15Å; K102-S104 PolarHBondContact O-N 3.22Å; K102-S104 VanDerWaalsContact O-N 3.07Å |
| 103 | F | 53.3 | Low | 52.9 | Low | 181 Ų | 181 | 139.9 Ų | 139.9 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -31.8 | 104.6 | 154.5 | 178.3 | -103.7 | 0 | 0 | 0 | 112.1 | L105 | F103-L105 HydrophobicContact CD1-CD1 4.47Å; F103-L105 HydrophobicContact CE1-CB 4.36Å; F103-L105 HydrophobicContact CE1-CD1 3.43Å; F103-L105 VanDerWaalsContact CE1-CD1 3.43Å; F103-L105 HydrophobicContact CZ-CD1 3.86Å; F103-L105 PolarHBondContact O-N 3.13Å |
| 104 | S | 44.3 | Very low | 52 | Low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 77% | 0.77 | S | S | * | * | | | trans | -82.5 | 108.7 | 162.9 | 61.3 | 0 | 0 | 0 | 0 | 107.9 | K102 F106 | K102-S104 PolarHBondContact O-N 3.22Å; K102-S104 VanDerWaalsContact O-N 3.07Å; S104-F106 PolarHBondContact O-N 3.27Å |
| 105 | L | 46.2 | Very low | 52.1 | Low | 139 Ų | 139 | 140.1 Ų | 140.1 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | | | trans | -51.8 | 118 | 166.5 | -158 | 74.7 | 0 | 0 | 0 | 108.3 | F103 E107 | F103-L105 HydrophobicContact CD1-CD1 4.47Å; F103-L105 HydrophobicContact CE1-CB 4.36Å; F103-L105 HydrophobicContact CE1-CD1 3.43Å; F103-L105 VanDerWaalsContact CE1-CD1 3.43Å; F103-L105 HydrophobicContact CZ-CD1 3.86Å; F103-L105 PolarHBondContact O-N 3.13Å; L105-E107 PolarHBondContact O-N 2.81Å; L105-E107 VanDerWaalsContact O-N 3.15Å |
| 106 | F | 44.8 | Very low | 51.3 | Low | 186 Ų | 186 | 140.2 Ų | 140.2 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -65.1 | 112.1 | 173.5 | -87.8 | -93.9 | 0 | 0 | 0 | 109.2 | S104 | S104-F106 PolarHBondContact O-N 3.27Š|
| 107 | E | 52.4 | Low | 50.7 | Low | 193 Ų | 193 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -112.2 | 83.6 | 151.7 | -159.9 | 175.2 | -170.3 | 0 | 0 | 107 | L105 | L105-E107 PolarHBondContact O-N 2.81Å; L105-E107 VanDerWaalsContact O-N 3.15Å |
| 108 | R | 45.7 | Very low | 50.1 | Low | 212 Ų | 212 | 147.3 Ų | 147.3 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | -108.6 | 93.9 | 164.2 | -173.4 | 171.4 | -72.9 | -148.4 | -0.5 | 107.5 | G110 | R108-G110 PolarHBondContact O-N 3.38Å; R108-G110 VanDerWaalsContact O-N 3.13Å |
| 109 | A | 47.9 | Very low | 50 | Low | 105 Ų | 105 | 150.6 Ų | 150.6 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | | | trans | -59 | 110.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 110 | G | 46.9 | Very low | 49.8 | Very low | 60 Ų | 60 | 151.5 Ų | 151.5 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | | | trans | -165.5 | 96.4 | 177 | 0 | 0 | 0 | 0 | 0 | 108.1 | R108 A112 | R108-G110 PolarHBondContact O-N 3.38Å; R108-G110 VanDerWaalsContact O-N 3.13Å; G110-A112 PolarHBondContact O-N 2.84Å |
| 111 | E | 46.2 | Very low | 49.8 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -51.1 | 120.2 | 172.4 | -73.4 | 175 | 114.4 | 0 | 0 | 110.5 | | |
| 112 | A | 44.3 | Very low | 49.5 | Very low | 94 Ų | 94 | 158.4 Ų | 158.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -144.1 | 102.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | G110 | G110-A112 PolarHBondContact O-N 2.84Š|
| 113 | K | 56.8 | Low | 49.2 | Very low | 200 Ų | 200 | 156.1 Ų | 156.1 | 87% | 0.87 | 81% | 0.81 | S | S | * | * | | | trans | -79.4 | 112.2 | 169.8 | -65.5 | -166.1 | 178.6 | -177.2 | 0 | 108.8 | | |
| 114 | T | 42.6 | Very low | 49.3 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -151.8 | 121.9 | 150.8 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 115 | S | 55.8 | Low | 49.8 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -56.7 | 141.4 | 166.8 | 49.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 116 | L | 45 | Very low | 50.2 | Low | 166 Ų | 166 | 152.6 Ų | 152.6 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | | -176.8 | 131.7 | 116.9 | -162.6 | 68.1 | 0 | 0 | 0 | 110.9 | | |
| 117 | D | 49.3 | Very low | 50.6 | Low | 135 Ų | 135 | 151.6 Ų | 151.6 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | -46 | 120.7 | 166.4 | 172.5 | 49.7 | 0 | 0 | 0 | 114.1 | | |
| 118 | R | 46.9 | Very low | 51.1 | Low | 235 Ų | 235 | 151.4 Ų | 151.4 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -160.5 | 113.1 | 148 | -145.8 | 171.2 | 179.7 | 160.5 | -1.2 | 111.6 | P120 | R118-P120 WeakPolarHBondContact O-CD 3.26Š|
| 119 | K | 59.9 | Low | 51.7 | Low | 187 Ų | 187 | 147.5 Ų | 147.5 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | | | trans | -59.6 | 134.2 | 170.8 | -69 | 158.2 | 176.7 | 164.5 | 0 | 111.3 | | |
| 120 | P | 51.7 | Low | 52.1 | Low | 131 Ų | 131 | 146 Ų | 146 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -101.6 | 115.2 | 155 | 32.2 | -24.3 | 0 | 0 | 0 | 109.4 | R118 | R118-P120 WeakPolarHBondContact O-CD 3.26Š|
| 121 | R | 51 | Low | 52.7 | Low | 236 Ų | 236 | 146.7 Ų | 146.7 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | | | trans | -134.9 | 90.3 | 169.8 | -157.2 | -177.9 | -162 | 166.2 | 5.6 | 107.9 | | |
| 122 | T | 49.2 | Very low | 53.3 | Low | 137 Ų | 137 | 140.9 Ų | 140.9 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -151.6 | 116.7 | 154 | -41.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 123 | D | 52.3 | Low | 54.4 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -53.3 | 127.6 | 169.4 | 168.9 | 13.4 | 0 | 0 | 0 | 111.6 | A125 | D123-A125 PolarHBondContact OD1-N 3.12Š|
| 124 | I | 56.3 | Low | 54.4 | Low | 168 Ų | 168 | 140.3 Ų | 140.3 | 86% | 0.862 | 80% | 0.802 | S | S | * | * | | | trans | -121.9 | 91 | 161.6 | -58.9 | 174.8 | 0 | 0 | 0 | 106.4 | | |
| 125 | A | 54.9 | Low | 55.3 | Low | 73 Ų | 73 | 144 Ų | 144 | 60% | 0.603 | 80% | 0.802 | S | S | * | * | | | trans | -65.2 | 143.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | D123 | D123-A125 PolarHBondContact OD1-N 3.12Š|
| 126 | A | 54.4 | Low | 55.8 | Low | 100 Ų | 100 | 142.6 Ų | 142.6 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | 63.3 | 98 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 127 | F | 52.9 | Low | 56.6 | Low | 166 Ų | 166 | 139.2 Ų | 139.2 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | trans | -100.3 | 108.7 | 141.5 | 64 | -79.2 | 0 | 0 | 0 | 107.9 | N129 | F127-N129 VanDerWaalsContact CD2-ND2 3.33Å; F127-N129 WeakPolarHBondContact CD2-ND2 3.43Å; F127-N129 VanDerWaalsContact CD2-OD1 3.26Å; F127-N129 WeakPolarHBondContact CD2-OD1 3.06Å; F127-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F127-N129 WeakPolarHBondContact CE2-OD1 3.49Å; F127-N129 PolarHBondContact O-N 3.39Å |
| 128 | E | 63.2 | Low | 57.2 | Low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -71.9 | 105 | 170.1 | -174.6 | 176.6 | 169.1 | 0 | 0 | 107.5 | G130 | E128-G130 VanDerWaalsContact C-N 3.27Å; E128-G130 PolarHBondContact O-N 3.09Å |
| 129 | N | 58.3 | Low | 58 | Low | 131 Ų | 131 | 140.5 Ų | 140.5 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -74.6 | 85.7 | 170.3 | -63.6 | -63.9 | 0 | 0 | 0 | 108.5 | F127 G131 | F127-N129 VanDerWaalsContact CD2-ND2 3.33Å; F127-N129 WeakPolarHBondContact CD2-ND2 3.43Å; F127-N129 VanDerWaalsContact CD2-OD1 3.26Å; F127-N129 WeakPolarHBondContact CD2-OD1 3.06Å; F127-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F127-N129 WeakPolarHBondContact CE2-OD1 3.49Å; F127-N129 PolarHBondContact O-N 3.39Å; N129-G131 PolarHBondContact O-N 3.19Å |
| 130 | G | 56.3 | Low | 58.3 | Low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | | | trans | -69.8 | 90.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E128 | E128-G130 VanDerWaalsContact C-N 3.27Å; E128-G130 PolarHBondContact O-N 3.09Å |
| 131 | G | 59.4 | Low | 58.9 | Low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | 122.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N129 | N129-G131 PolarHBondContact O-N 3.19Š|
| 132 | G | 59.1 | Low | 59.2 | Low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -106.3 | 113.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 133 | D | 67 | Low | 59.6 | Low | 154 Ų | 154 | 136.3 Ų | 136.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -94 | 94.5 | 166.4 | 52.4 | -20.4 | 0 | 0 | 0 | 109.3 | Y135 | D133-Y135 PolarHBondContact O-N 3.19Š|
| 134 | C | 57.8 | Low | 59.4 | Low | 128 Ų | 128 | 133.2 Ų | 133.2 | 87% | 0.865 | 77% | 0.767 | S | S | * | * | | | trans | -74 | 87.4 | 173.8 | 50 | 0 | 0 | 0 | 0 | 110.8 | A136 | C134-A136 PolarHBondContact O-N 3.1Š|
| 135 | Y | 61.1 | Low | 59 | Low | 215 Ų | 215 | 131.2 Ų | 131.2 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | -78.8 | 106 | 168.5 | -152.7 | -93.1 | 0 | 0 | 0 | 110.1 | D133 | D133-Y135 PolarHBondContact O-N 3.19Š|
| 136 | A | 65.6 | Low | 58.6 | Low | 83 Ų | 83 | 134.1 Ų | 134.1 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | trans | -94.4 | 117.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | C134 Q138 | C134-A136 PolarHBondContact O-N 3.1Å; A136-Q138 PolarHBondContact O-N 3.35Å; A136-Q138 VanDerWaalsContact O-N 3.17Å |
| 137 | P | 62 | Low | 58.4 | Low | 96 Ų | 96 | 138 Ų | 138 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | | | trans | -72.3 | 110.1 | 178.8 | -15.2 | 29.3 | 0 | 0 | 0 | 111.3 | R139 | P137-R139 PolarHBondContact O-N 3.36Š|
| 138 | Q | 62.2 | Low | 58.6 | Low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -73.8 | 112.3 | 166.1 | -80.7 | 175.8 | 4.3 | 0 | 0 | 109.4 | A136 | A136-Q138 PolarHBondContact O-N 3.35Å; A136-Q138 VanDerWaalsContact O-N 3.17Å |
| 139 | R | 62.9 | Low | 57.8 | Low | 218 Ų | 218 | 134.9 Ų | 134.9 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | | | trans | -99.9 | 85.2 | 173.3 | 41.4 | 176.6 | 170 | -86.2 | -2.5 | 108.8 | P137 | P137-R139 PolarHBondContact O-N 3.36Š|
| 140 | I | 67.4 | Low | 56.8 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | | | trans | -93.9 | 108.1 | 168.5 | -58.3 | 174.8 | 0 | 0 | 0 | 106.5 | F142 | I140-F142 HydrophobicContact CG2-CD2 4.03Å; I140-F142 HydrophobicContact CG2-CE2 3.68Å; I140-F142 HydrophobicContact CG2-CZ 4.08Å |
| 141 | I | 64.3 | Low | 56 | Low | 145 Ų | 145 | 138 Ų | 138 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | -89.9 | 109.2 | 172.4 | -59.6 | 172 | 0 | 0 | 0 | 106.5 | L143 | I141-L143 PolarHBondContact O-N 3.17Š|
| 142 | F | 55.8 | Low | 55 | Low | 184 Ų | 184 | 138.7 Ų | 138.7 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | | | trans | -77.1 | 110.5 | 166 | -75.1 | -85.8 | 0 | 0 | 0 | 108.1 | I140 G144 | I140-F142 HydrophobicContact CG2-CD2 4.03Å; I140-F142 HydrophobicContact CG2-CE2 3.68Å; I140-F142 HydrophobicContact CG2-CZ 4.08Å; F142-G144 PolarHBondContact O-N 3.27Å; F142-G144 VanDerWaalsContact O-N 3.16Å |
| 143 | L | 57.6 | Low | 53.9 | Low | 155 Ų | 155 | 144 Ų | 144 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -74.4 | 99.6 | 167.9 | -141.9 | 78.3 | 0 | 0 | 0 | 106.7 | I141 V145 | I141-L143 PolarHBondContact O-N 3.17Å; L143-V145 PolarHBondContact O-N 3.41Å; L143-V145 VanDerWaalsContact O-N 3.15Å |
| 144 | G | 47.9 | Very low | 52.6 | Low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -62.2 | 112.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | F142 D146 | F142-G144 PolarHBondContact O-N 3.27Å; F142-G144 VanDerWaalsContact O-N 3.16Å; G144-D146 PolarHBondContact O-N 3.32Å |
| 145 | V | 47.8 | Very low | 52 | Low | 126 Ų | 126 | 144.4 Ų | 144.4 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | 105.6 | 163.9 | 172.6 | 0 | 0 | 0 | 0 | 105.8 | L143 E147 | L143-V145 PolarHBondContact O-N 3.41Å; L143-V145 VanDerWaalsContact O-N 3.15Å; V145-E147 HydrophobicContact CG1-CG 4.3Å; V145-E147 PolarHBondContact O-N 2.96Å |
| 146 | D | 48.4 | Very low | 50.8 | Low | 135 Ų | 135 | 142.4 Ų | 142.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -81.5 | 100.8 | 171 | -175.5 | 54.6 | 0 | 0 | 0 | 108.1 | G144 S148 | G144-D146 PolarHBondContact O-N 3.32Å; D146-S148 PolarHBondContact O-N 3.09Å; D146-S148 PolarHBondContact OD2-OG 3.12Å |
| 147 | E | 49.3 | Very low | 49.7 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -78.5 | 93.4 | 164.2 | -73.4 | -178.3 | 150 | 0 | 0 | 108.1 | V145 | V145-E147 HydrophobicContact CG1-CG 4.3Å; V145-E147 PolarHBondContact O-N 2.96Å |
| 148 | S | 57.7 | Low | 48.4 | Very low | 99 Ų | 99 | 144.3 Ų | 144.3 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -96 | 98.7 | 164.6 | 36.6 | 0 | 0 | 0 | 0 | 110.1 | D146 | D146-S148 PolarHBondContact O-N 3.09Å; D146-S148 PolarHBondContact OD2-OG 3.12Å |
| 149 | E | 45.4 | Very low | 47.8 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -74.6 | 117 | 164.5 | -169.6 | -176.9 | -163.7 | 0 | 0 | 109.2 | | |
| 150 | A | 37.4 | Very low | 46.5 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -153.6 | 107.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 151 | L | 40.7 | Very low | 45.4 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | -64.6 | 130.3 | 165 | -78.3 | 163 | 0 | 0 | 0 | 110.7 | | |
| 152 | A | 37.2 | Very low | 44.2 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | | | | 169.4 | 124.6 | 129.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 153 | E | 36.1 | Very low | 43.9 | Very low | 187 Ų | 187 | 136.2 Ų | 136.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | 56.5 | 114.8 | 144.6 | -93.5 | 173.7 | 145.7 | 0 | 0 | 122.3 | | |
| 154 | D | 39.8 | Very low | 43.1 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | | 43.5 | 104.7 | 127.1 | -152.2 | 27 | 0 | 0 | 0 | 117.6 | | |
| 155 | K | 45 | Very low | 43.1 | Very low | 161 Ų | 161 | 140 Ų | 140 | 70% | 0.7 | 79% | 0.786 | S | S | * | * | | | | 166.9 | 131.5 | 104.5 | -84.7 | -170.2 | -173.2 | -172.8 | 0 | 113.9 | | |
| 156 | E | 35.1 | Very low | 42.9 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | 57.1 | 103.9 | 134.5 | -137.5 | 168.3 | 160.1 | 0 | 0 | 119.2 | T158 | E156-T158 PolarHBondContact O-N 3.02Š|
| 157 | A | 44.2 | Very low | 42.8 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -59.4 | 118.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 158 | T | 33.7 | Very low | 42.8 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 68% | 0.681 | 78% | 0.783 | S | S | * | * | | | trans | -130.2 | 107.4 | 159.9 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | E156 K160 | E156-T158 PolarHBondContact O-N 3.02Å; T158-K160 PolarHBondContact O-N 2.95Å |
| 159 | S | 50.6 | Low | 42.6 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -58.9 | 113.9 | 169 | 55.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 160 | K | 35.1 | Very low | 43.3 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -136.7 | 98.5 | 158.7 | -69.8 | -170.6 | 179.7 | 174.3 | 0 | 108.9 | T158 S162 | T158-K160 PolarHBondContact O-N 2.95Å; K160-S162 PolarHBondContact O-N 3.21Å; K160-S162 VanDerWaalsContact O-N 3.09Å |
| 161 | C | 43.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | | | trans | -47.2 | 109.7 | 161.4 | 161.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 162 | S | 40.2 | Very low | 45.1 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | | | trans | -104.2 | 109.5 | 167.5 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | K160 V164 | K160-S162 PolarHBondContact O-N 3.21Å; K160-S162 VanDerWaalsContact O-N 3.09Å; S162-V164 PolarHBondContact O-N 2.97Å; S162-V164 VanDerWaalsContact O-N 3.12Å |
| 163 | N | 49.4 | Very low | 46.3 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | -52.6 | 106.4 | 174 | -169.2 | -59.3 | 0 | 0 | 0 | 110.7 | | |
| 164 | V | 40.7 | Very low | 47.9 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -104.8 | 112.8 | 165.1 | -176 | 0 | 0 | 0 | 0 | 106.8 | S162 V166 | S162-V164 PolarHBondContact O-N 2.97Å; S162-V164 VanDerWaalsContact O-N 3.12Å; V164-V166 PolarHBondContact O-N 3.24Å |
| 165 | K | 48.8 | Very low | 49.1 | Very low | 184 Ų | 184 | 143 Ų | 143 | 80% | 0.8 | 78% | 0.778 | S | S | * | * | | | trans | -46.3 | 106 | 171 | -80.6 | 174.3 | 171.3 | 175.8 | 0 | 109.5 | N167 | K165-N167 PolarHBondContact O-N 3.44Š|
| 166 | V | 41.7 | Very low | 49.9 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | -68.6 | 113.6 | 167.9 | 177.3 | 0 | 0 | 0 | 0 | 106.2 | V164 D168 | V164-V166 PolarHBondContact O-N 3.24Å; V166-D168 PolarHBondContact O-N 2.94Å |
| 167 | N | 47.4 | Very low | 51 | Low | 142 Ų | 142 | 142.5 Ų | 142.5 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | trans | -54.4 | 135.3 | 172.6 | -78.4 | -64.7 | 0 | 0 | 0 | 109.6 | K165 V169 | K165-N167 PolarHBondContact O-N 3.44Å; N167-V169 PolarHBondContact O-N 3.01Å |
| 168 | D | 50.2 | Low | 52.4 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | trans | -48.1 | 98.6 | 173.5 | -179.8 | 34.8 | 0 | 0 | 0 | 111 | V166 Q170 | V166-D168 PolarHBondContact O-N 2.94Å; D168-Q170 PolarHBondContact O-N 3.01Å; D168-Q170 PolarHBondContact OD2-NE2 3.2Å |
| 169 | V | 53.1 | Low | 53.9 | Low | 124 Ų | 124 | 142.9 Ų | 142.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | -81 | 96.5 | 169.3 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | N167 | N167-V169 PolarHBondContact O-N 3.01Š|
| 170 | Q | 59.9 | Low | 54.7 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | | | trans | -47.7 | 127.8 | 169.7 | -70.1 | -78.9 | -52.9 | 0 | 0 | 109.9 | D168 V172 | D168-Q170 PolarHBondContact O-N 3.01Å; D168-Q170 PolarHBondContact OD2-NE2 3.2Å; Q170-V172 PolarHBondContact O-N 3.14Å |
| 171 | P | 59.9 | Low | 56.5 | Low | 113 Ų | 113 | 143.9 Ų | 143.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -66.1 | 112.4 | 176.4 | 25 | -30.9 | 0 | 0 | 0 | 108.9 | R173 | P171-R173 PolarHBondContact O-N 3.05Š|
| 172 | V | 56.1 | Low | 57.9 | Low | 136 Ų | 136 | 147 Ų | 147 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | trans | -54.8 | 112.5 | 173.3 | 172.6 | 0 | 0 | 0 | 0 | 108.4 | Q170 K174 | Q170-V172 PolarHBondContact O-N 3.14Å; V172-K174 PolarHBondContact O-N 3.31Å; V172-K174 VanDerWaalsContact O-N 3.14Å |
| 173 | R | 61.6 | Low | 59.5 | Low | 237 Ų | 237 | 152.3 Ų | 152.3 | 89% | 0.894 | 77% | 0.769 | S | S | * | * | | | trans | -60 | 115 | 178.6 | -85 | 177.6 | 152.7 | 153.2 | -5.3 | 109.4 | P171 | P171-R173 PolarHBondContact O-N 3.05Š|
| 174 | K | 70.2 | Confident | 60.5 | Low | 194 Ų | 194 | 154.9 Ų | 154.9 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | | | trans | -59.6 | 135.8 | 171 | -65.2 | 173.7 | 179.4 | 176 | 0 | 109.4 | V172 H176 | V172-K174 PolarHBondContact O-N 3.31Å; V172-K174 VanDerWaalsContact O-N 3.14Å; K174-H176 PolarHBondContact O-N 3.27Å |
| 175 | P | 64 | Low | 61.5 | Low | 127 Ų | 127 | 160.5 Ų | 160.5 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -64.5 | 127.6 | 173.5 | 24.7 | -30.1 | 0 | 0 | 0 | 109.5 | F177 | P175-F177 PolarHBondContact O-N 3.24Š|
| 176 | H | 62.2 | Low | 62.6 | Low | 150 Ų | 150 | 159.1 Ų | 159.1 | 69% | 0.694 | 78% | 0.781 | S | S | * | * | | | trans | -67.5 | 103.7 | 176.8 | -176.5 | -33.4 | 0 | 0 | 0 | 108.8 | K174 K178 | K174-H176 PolarHBondContact O-N 3.27Å; H176-K178 PolarHBondContact O-N 3.19Å; H176-K178 VanDerWaalsContact O-N 3.07Å |
| 177 | F | 59.7 | Low | 63.6 | Low | 173 Ų | 173 | 161.6 Ų | 161.6 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 109.2 | 169.4 | -171.7 | -102 | 0 | 0 | 0 | 108.3 | P175 G179 | P175-F177 PolarHBondContact O-N 3.24Å; F177-G179 PolarHBondContact O-N 3.35Å |
| 178 | K | 72.3 | Confident | 64.7 | Low | 162 Ų | 162 | 162.2 Ų | 162.2 | 70% | 0.704 | 78% | 0.781 | S | S | * | * | | | trans | -79.6 | 110 | 171.2 | -60.4 | -91.6 | -161.2 | 175.7 | 0 | 105.7 | H176 V180 | H176-K178 PolarHBondContact O-N 3.19Å; H176-K178 VanDerWaalsContact O-N 3.07Å; K178-V180 PolarHBondContact O-N 3.38Å |
| 179 | G | 65.9 | Low | 65.9 | Low | 65 Ų | 65 | 164.3 Ų | 164.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 127 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F177 K181 | F177-G179 PolarHBondContact O-N 3.35Å; G179-K181 PolarHBondContact O-N 3.11Å |
| 180 | V | 67.9 | Low | 66.5 | Low | 122 Ų | 122 | 162.9 Ų | 162.9 | 74% | 0.739 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 119.5 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 108.6 | K178 K182 | K178-V180 PolarHBondContact O-N 3.38Å; V180-K182 PolarHBondContact O-N 3.06Å |
| 181 | K | 72.8 | Confident | 66.9 | Low | 197 Ų | 197 | 165.4 Ų | 165.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.6 | 174.6 | -172.4 | 169.4 | -179 | 174.2 | 0 | 108.8 | G179 R183 | G179-K181 PolarHBondContact O-N 3.11Å; K181-R183 PolarHBondContact O-N 2.92Å |
| 182 | K | 72.3 | Confident | 67.2 | Low | 197 Ų | 197 | 167.3 Ų | 167.3 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.4 | 176.3 | -65.9 | -150.7 | 174.2 | -175.4 | 0 | 109.8 | V180 | V180-K182 PolarHBondContact O-N 3.06Š|
| 183 | R | 74 | Confident | 67.5 | Low | 213 Ų | 213 | 170 Ų | 170 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 127.9 | 169.5 | -75.5 | -173.8 | -72.3 | 166.4 | -1.5 | 108.3 | K181 | K181-R183 PolarHBondContact O-N 2.92Š|
| 184 | K | 70.6 | Confident | 68 | Low | 199 Ų | 199 | 164.7 Ų | 164.7 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 123 | 167.4 | -74.5 | -174.8 | 171 | -173.6 | 0 | 107.3 | | |
| 185 | W | 61.4 | Low | 66.9 | Low | 237 Ų | 237 | 162.7 Ų | 162.7 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -77 | 123.6 | 167.6 | -71 | 87.7 | 0 | 0 | 0 | 107.5 | | |
| 186 | I | 72.2 | Confident | 67.1 | Low | 155 Ų | 155 | 164.5 Ų | 164.5 | 80% | 0.795 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 119.5 | 169.1 | -54.3 | 174.5 | 0 | 0 | 0 | 104.6 | | |
| 187 | Y | 62.3 | Low | 67.3 | Low | 191 Ų | 191 | 165.3 Ų | 165.3 | 75% | 0.749 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 123.1 | 173.2 | -169.1 | -96.9 | 0 | 0 | 0 | 107.5 | | |
| 188 | D | 71 | Confident | 67.8 | Low | 155 Ų | 155 | 164.8 Ų | 164.8 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 117.3 | 172.1 | -125.9 | -11 | 0 | 0 | 0 | 107.2 | | |
| 189 | E | 74.4 | Confident | 67.5 | Low | 168 Ų | 168 | 165 Ų | 165 | 79% | 0.785 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 134.8 | 179.6 | -75.7 | -177.4 | 163.4 | 0 | 0 | 110.6 | K191 | E189-K191 PolarHBondContact O-N 3.07Š|
| 190 | P | 66.3 | Low | 67.6 | Low | 94 Ų | 94 | 171.3 Ų | 171.3 | 61% | 0.61 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 118.5 | 175.4 | 25.8 | -30.9 | 0 | 0 | 0 | 110 | N192 | P190-N192 PolarHBondContact O-N 3.36Å; P190-N192 VanDerWaalsContact O-N 3.11Å |
| 191 | K | 68.6 | Low | 67.6 | Low | 188 Ų | 188 | 174.5 Ų | 174.5 | 82% | 0.817 | 86% | 0.861 | S | S | * | * | | | trans | -63.1 | 110.6 | 169.2 | -84.8 | 175.9 | 178.9 | 169.7 | 0 | 109.2 | E189 F193 | E189-K191 PolarHBondContact O-N 3.07Å; K191-F193 PolarHBondContact O-N 3.4Å |
| 192 | N | 66.8 | Low | 67.2 | Low | 154 Ų | 154 | 172.9 Ų | 172.9 | 82% | 0.824 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.8 | 167 | -69.2 | -67.3 | 0 | 0 | 0 | 109.2 | P190 | P190-N192 PolarHBondContact O-N 3.36Å; P190-N192 VanDerWaalsContact O-N 3.11Å |
| 193 | F | 61.7 | Low | 66.8 | Low | 193 Ų | 193 | 171.1 Ų | 171.1 | 85% | 0.846 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 131.4 | 169.3 | -68.6 | -85.4 | 0 | 0 | 0 | 108.9 | K191 | K191-F193 PolarHBondContact O-N 3.4Š|
| 194 | P | 71.1 | Confident | 66.2 | Low | 125 Ų | 125 | 167.6 Ų | 167.6 | 81% | 0.812 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -71 | 134 | 171.8 | 29.4 | -31.2 | 0 | 0 | 0 | 109.5 | | |
| 195 | G | 48.7 | Very low | 65.8 | Low | 152 Ų | 152 | 164.7 Ų | 164.7 | 100% | 1.567 | 87% | 0.867 | S | S | * | * | | | trans | -72.7 | 0 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |