| 1 | M | 43.1 | Very low | 52.4 | Low | 240 Ų | 240 | 133.5 Ų | 133.5 | 100% | 1.182 | 73% | 0.728 | S | S | * | * | | | | 0 | 98.9 | 0 | -89.4 | 171.4 | 160.5 | 0 | 0 | 107.5 | | |
| 2 | V | 53.8 | Low | 53 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | | | trans | -85.3 | 125.7 | 163.5 | 179.2 | 0 | 0 | 0 | 0 | 104.5 | D4 | V2-D4 PolarHBondContact O-N 3.33Š|
| 3 | P | 51 | Low | 53.5 | Low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | | | trans | -62.3 | 109.1 | 173.9 | -15 | 28.2 | 0 | 0 | 0 | 108 | R5 | P3-R5 PolarHBondContact O-N 3.21Š|
| 4 | D | 59.4 | Low | 54.6 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | | | trans | -57.9 | 129.2 | 168.6 | -87.7 | -47.9 | 0 | 0 | 0 | 109.8 | V2 G6 | V2-D4 PolarHBondContact O-N 3.33Å; D4-G6 PolarHBondContact O-N 2.94Å |
| 5 | R | 45.5 | Very low | 55.8 | Low | 211 Ų | 211 | 132.9 Ų | 132.9 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | trans | 57.7 | 46.2 | 149.1 | -55.4 | -179.1 | -163.1 | 81.9 | 8.5 | 117.2 | P3 G7 | P3-R5 PolarHBondContact O-N 3.21Å; R5-G7 PolarHBondContact O-N 2.82Å; R5-G7 VanDerWaalsContact O-N 3.07Å |
| 6 | G | 46.7 | Very low | 56.8 | Low | 82 Ų | 82 | 131.3 Ų | 131.3 | 85% | 0.845 | 73% | 0.727 | S | S | * | * | | | trans | -75.6 | 25.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116 | D4 | D4-G6 PolarHBondContact O-N 2.94Š|
| 7 | G | 54.8 | Low | 57.8 | Low | 40 Ų | 40 | 130.8 Ų | 130.8 | 41% | 0.412 | 73% | 0.731 | S | S | . | * | S | Bend | trans | -109.9 | 118.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | R5 E11 | R5-G7 PolarHBondContact O-N 2.82Å; R5-G7 VanDerWaalsContact O-N 3.07Å; G7-E11 WeakPolarHBondContact CA-OE2 3.47Å |
| 8 | R | 53.7 | Low | 59 | Low | 152 Ų | 152 | 134.4 Ų | 134.4 | 57% | 0.574 | 74% | 0.741 | S | S | * | * | | | trans | -56.4 | 149.7 | -179 | -56.3 | 173.9 | -172.3 | -139.6 | 4.6 | 109.1 | W10 E11 | R8-W10 HydrophobicContact CB-CD2 3.9Å; R8-W10 HydrophobicContact CB-CG 4.01Å; R8-W10 HydrophobicContact CB-CZ2 4.34Å; R8-W10 VanDerWaalsContact CD-NE1 3.32Å; R8-W10 HydrophobicContact CG-CZ2 4.25Å; R8-W10 PolarHBondContact O-N 3.07Å; R8-E11 HydrophobicContact CB-CB 4.28Å; R8-E11 HydrophobicContact CB-CG 3.83Å; R8-E11 WeakPolarHBondContact CD-OE1 3.32Å; R8-E11 VanDerWaalsContact CG-CD 3.5Å; R8-E11 HydrophobicContact CG-CG 4.21Å; R8-E11 WeakPolarHBondContact CG-OE1 3.38Å; R8-E11 PolarHBondContact N-OE2 2.82Å; R8-E11 IonicContact NE-OE1 3.21Å; R8-E11 PolarHBondContact NE-OE1 2.77Å; R8-E11 WeakPolarHBondContact O-CB 3.09Å; R8-E11 PolarHBondContact O-N 3.45Å |
| 9 | A | 53.4 | Low | 59.8 | Low | 109 Ų | 109 | 135.8 Ų | 135.8 | 90% | 0.901 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.3 | -9.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 10 | W | 56.2 | Low | 60.3 | Low | 170 Ų | 170 | 134.9 Ų | 134.9 | 64% | 0.644 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -7.2 | 174.1 | 57.3 | -103.8 | 0 | 0 | 0 | 114.4 | R8 L12 | R8-W10 HydrophobicContact CB-CD2 3.9Å; R8-W10 HydrophobicContact CB-CG 4.01Å; R8-W10 HydrophobicContact CB-CZ2 4.34Å; R8-W10 VanDerWaalsContact CD-NE1 3.32Å; R8-W10 HydrophobicContact CG-CZ2 4.25Å; R8-W10 PolarHBondContact O-N 3.07Å; W10-L12 VanDerWaalsContact C-N 3.31Å |
| 11 | E | 59.4 | Low | 60.5 | Low | 94 Ų | 94 | 132.8 Ų | 132.8 | 44% | 0.439 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -85.1 | -2.9 | 176.2 | -74.6 | 170.6 | -180 | 0 | 0 | 112.6 | G7 R8 | G7-E11 WeakPolarHBondContact CA-OE2 3.47Å; R8-E11 HydrophobicContact CB-CB 4.28Å; R8-E11 HydrophobicContact CB-CG 3.83Å; R8-E11 WeakPolarHBondContact CD-OE1 3.32Å; R8-E11 VanDerWaalsContact CG-CD 3.5Å; R8-E11 HydrophobicContact CG-CG 4.21Å; R8-E11 WeakPolarHBondContact CG-OE1 3.38Å; R8-E11 PolarHBondContact N-OE2 2.82Å; R8-E11 IonicContact NE-OE1 3.21Å; R8-E11 PolarHBondContact NE-OE1 2.77Å; R8-E11 WeakPolarHBondContact O-CB 3.09Å; R8-E11 PolarHBondContact O-N 3.45Å |
| 12 | L | 58.6 | Low | 61.7 | Low | 142 Ų | 142 | 129.5 Ų | 129.5 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -104.5 | 82.9 | 160 | -82.9 | 119.2 | 0 | 0 | 0 | 108.1 | W10 P14 | W10-L12 VanDerWaalsContact C-N 3.31Å; L12-P14 WeakPolarHBondContact O-CD 3.48Å |
| 13 | E | 60.5 | Low | 62.2 | Low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 122.3 | 167.8 | -163.5 | -177 | -167.7 | 0 | 0 | 107.4 | | |
| 14 | P | 69 | Low | 62.8 | Low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 138.4 | 172.9 | 24.9 | -32 | 0 | 0 | 0 | 107.4 | L12 | L12-P14 WeakPolarHBondContact O-CD 3.48Š|
| 15 | P | 72.8 | Confident | 62.8 | Low | 113 Ų | 113 | 140.3 Ų | 140.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 134 | 178 | 23.7 | -33.1 | 0 | 0 | 0 | 108 | | |
| 16 | P | 71.6 | Confident | 63.5 | Low | 107 Ų | 107 | 138.2 Ų | 138.2 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -52 | 138.7 | -179.7 | 18.8 | -30.2 | 0 | 0 | 0 | 108.9 | E18 | P16-E18 PolarHBondContact O-N 3.19Š|
| 17 | P | 73.7 | Confident | 64.2 | Low | 123 Ų | 123 | 140.2 Ų | 140.2 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 128.4 | 179.9 | -26.3 | 32.8 | 0 | 0 | 0 | 110.3 | M19 | P17-M19 PolarHBondContact O-N 3.3Š|
| 18 | E | 79.1 | Confident | 64 | Low | 195 Ų | 195 | 145.6 Ų | 145.6 | 91% | 0.911 | 76% | 0.755 | S | S | * | * | | | trans | -64 | 105.4 | 178.6 | -157.3 | 175.8 | -161.2 | 0 | 0 | 107.9 | P16 | P16-E18 PolarHBondContact O-N 3.19Š|
| 19 | M | 73.6 | Confident | 63.3 | Low | 161 Ų | 161 | 150.3 Ų | 150.3 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | -56.2 | 134.2 | 179.7 | -88 | 177.9 | 46.4 | 0 | 0 | 109.1 | P17 A21 | P17-M19 PolarHBondContact O-N 3.3Å; M19-A21 PolarHBondContact O-N 3.42Å |
| 20 | P | 70.4 | Confident | 62.8 | Low | 118 Ų | 118 | 148.5 Ų | 148.5 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | -56.5 | 122.5 | 178.5 | 21 | -30.1 | 0 | 0 | 0 | 109 | F22 | P20-F22 PolarHBondContact O-N 2.88Š|
| 21 | A | 65.3 | Low | 61.7 | Low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -53.2 | 114.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | M19 K23 | M19-A21 PolarHBondContact O-N 3.42Å; A21-K23 PolarHBondContact O-N 2.92Å |
| 22 | F | 67 | Low | 60.9 | Low | 170 Ų | 170 | 143.6 Ų | 143.6 | 75% | 0.746 | 79% | 0.792 | S | S | * | * | | | trans | -59.3 | 109 | 171.7 | 57.6 | -88.3 | 0 | 0 | 0 | 106.3 | P20 Q24 | P20-F22 PolarHBondContact O-N 2.88Å; F22-Q24 HydrophobicContact CD2-CG 4.38Å; F22-Q24 HydrophobicContact CE2-CG 4.28Å; F22-Q24 PolarHBondContact O-N 3.18Å |
| 23 | K | 65.8 | Low | 60.1 | Low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -66.2 | 110.5 | 164.2 | -73.8 | 175.5 | -179 | 173.8 | 0 | 104.6 | A21 R25 | A21-K23 PolarHBondContact O-N 2.92Å; K23-R25 PolarHBondContact O-N 3.38Å |
| 24 | Q | 63.7 | Low | 59.6 | Low | 161 Ų | 161 | 143 Ų | 143 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -47.7 | 119.7 | 164.9 | -84.6 | -178.6 | 27.4 | 0 | 0 | 106.5 | F22 Q26 | F22-Q24 HydrophobicContact CD2-CG 4.38Å; F22-Q24 HydrophobicContact CE2-CG 4.28Å; F22-Q24 PolarHBondContact O-N 3.18Å; Q24-Q26 PolarHBondContact O-N 3.14Å |
| 25 | R | 57.9 | Low | 58.4 | Low | 241 Ų | 241 | 150.2 Ų | 150.2 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | trans | -55.7 | 108.5 | 170.5 | -72.2 | 177.6 | 173.5 | -119.8 | 2.1 | 105.6 | K23 | K23-R25 PolarHBondContact O-N 3.38Š|
| 26 | Q | 61.2 | Low | 56.8 | Low | 167 Ų | 167 | 148.2 Ų | 148.2 | 78% | 0.78 | 81% | 0.808 | S | S | * | * | | | trans | -59.2 | 131.5 | 166.2 | -63.6 | -131.4 | -29.5 | 0 | 0 | 105.5 | Q24 D28 | Q24-Q26 PolarHBondContact O-N 3.14Å; Q26-D28 PolarHBondContact O-N 3.36Å |
| 27 | P | 60.4 | Low | 55.8 | Low | 123 Ų | 123 | 148.9 Ų | 148.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | | | trans | -57.7 | 113 | 170.8 | 24.1 | -30.7 | 0 | 0 | 0 | 105.9 | R29 | P27-R29 VanDerWaalsContact C-N 3.34Å; P27-R29 PolarHBondContact O-N 3.17Å |
| 28 | D | 52.1 | Low | 54.3 | Low | 154 Ų | 154 | 155.3 Ų | 155.3 | 82% | 0.824 | 82% | 0.823 | S | S | * | * | | | trans | -52.2 | 105.7 | 172.5 | -72.2 | -53.9 | 0 | 0 | 0 | 107.1 | Q26 G30 | Q26-D28 PolarHBondContact O-N 3.36Å; D28-G30 PolarHBondContact O-N 3.04Å |
| 29 | R | 37.5 | Very low | 52.8 | Low | 251 Ų | 251 | 149.7 Ų | 149.7 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 8 | 85.3 | 148.2 | -174.1 | -179.5 | -80.4 | 173.3 | -7 | 112.8 | P27 | P27-R29 VanDerWaalsContact C-N 3.34Å; P27-R29 PolarHBondContact O-N 3.17Å |
| 30 | G | 42.6 | Very low | 51.7 | Low | 71 Ų | 71 | 146 Ų | 146 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | | | trans | -163.9 | 18.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D28 G32 | D28-G30 PolarHBondContact O-N 3.04Å; G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.31Å; G30-G32 VanDerWaalsContact O-N 3.11Å |
| 31 | G | 34.6 | Very low | 50.5 | Low | 91 Ų | 91 | 144.7 Ų | 144.7 | 94% | 0.938 | 83% | 0.829 | S | S | * | * | | | trans | -82.9 | 71.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 32 | G | 42.8 | Very low | 49.8 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | | | trans | -107.8 | 103.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G30 | G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.31Å; G30-G32 VanDerWaalsContact O-N 3.11Å |
| 33 | T | 40.5 | Very low | 48.8 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 74% | 0.736 | 84% | 0.835 | S | S | * | * | | | trans | -38.3 | 141.9 | 164.8 | 44.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 34 | Q | 50.2 | Low | 47.9 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 84% | 0.836 | 83% | 0.833 | S | S | * | * | | | trans | 149.2 | 94.4 | 141.9 | -78.6 | 150.3 | 11.7 | 0 | 0 | 109.7 | | |
| 35 | R | 44.2 | Very low | 46.8 | Very low | 252 Ų | 252 | 136.7 Ų | 136.7 | 95% | 0.951 | 83% | 0.828 | S | S | * | * | | | | 46.5 | 118.2 | 97.7 | -80.8 | -172.7 | 178.3 | -174.1 | 0.5 | 115 | | |
| 36 | G | 39.9 | Very low | 46 | Very low | 71 Ų | 71 | 135.9 Ų | 135.9 | 73% | 0.732 | 83% | 0.826 | S | S | * | * | | | trans | 87.6 | 134.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 37 | S | 49.4 | Very low | 45.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 83% | 0.832 | S | S | * | * | | | cis | -162.3 | 138.1 | 35 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 38 | R | 43.3 | Very low | 44.5 | Very low | 258 Ų | 258 | 130 Ų | 130 | 97% | 0.974 | 83% | 0.833 | S | S | * | * | | | trans | -65.5 | 136.2 | 154.2 | -80.2 | 173.5 | 172.8 | 169 | -3.1 | 108 | | |
| 39 | G | 47.4 | Very low | 43.9 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | trans | 149.7 | 128.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 40 | G | 50.1 | Low | 44.1 | Very low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | | | trans | 89.1 | 119.3 | 155.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 41 | G | 44.8 | Very low | 44 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 92% | 0.918 | 83% | 0.832 | S | S | * | * | | | cis | 109.1 | 121.6 | 31.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 42 | G | 51.3 | Low | 44.7 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | | | trans | 160.5 | 95.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 43 | D | 45.8 | Very low | 44.7 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 85% | 0.85 | 84% | 0.837 | S | S | * | * | | | trans | -76.1 | 128.5 | 173.6 | -41.1 | -69.9 | 0 | 0 | 0 | 110.3 | | |
| 44 | G | 46.8 | Very low | 44.5 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 81% | 0.814 | 84% | 0.842 | S | S | * | * | | | trans | -135.3 | 85.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 45 | H | 40 | Very low | 44 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 64% | 0.639 | 84% | 0.838 | S | S | * | * | | | trans | -73.9 | 168.5 | 169.4 | -67.6 | -67.3 | 0 | 0 | 0 | 111.3 | | |
| 46 | Y | 41.2 | Very low | 43.9 | Very low | 224 Ų | 224 | 124.2 Ų | 124.2 | 88% | 0.878 | 82% | 0.822 | S | S | * | * | | | trans | 72 | 112.1 | 163.7 | 2.3 | -85.8 | 0 | 0 | 0 | 119.6 | | |
| 47 | G | 41.7 | Very low | 44 | Very low | 87 Ų | 87 | 126.2 Ų | 126.2 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | | | trans | 141.6 | 95.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 48 | G | 47.8 | Very low | 43.4 | Very low | 81 Ų | 81 | 122.7 Ų | 122.7 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -165.8 | 37.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 49 | R | 40.2 | Very low | 43.2 | Very low | 261 Ų | 261 | 116.4 Ų | 116.4 | 99% | 0.985 | 79% | 0.785 | S | S | * | * | | | trans | -89.4 | 118.1 | 160.2 | -79.7 | -170.4 | -172.5 | -134.9 | 3.3 | 107.8 | | |
| 50 | G | 41.8 | Very low | 42.9 | Very low | 59 Ų | 59 | 118.2 Ų | 118.2 | 61% | 0.608 | 79% | 0.786 | S | S | * | * | | | trans | 159.4 | 51.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F52 | G50-F52 PolarHBondContact O-N 3.33Š|
| 51 | G | 41.2 | Very low | 42.9 | Very low | 85 Ų | 85 | 118.5 Ų | 118.5 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | | | trans | -88.7 | 94.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q53 | G51-Q53 PolarHBondContact O-N 3.13Š|
| 52 | F | 47.6 | Very low | 43 | Very low | 195 Ų | 195 | 120.5 Ų | 120.5 | 86% | 0.855 | 76% | 0.763 | S | S | * | * | | | trans | -75.5 | 104.4 | 174.7 | -66.4 | -89 | 0 | 0 | 0 | 110.7 | G50 | G50-F52 PolarHBondContact O-N 3.33Š|
| 53 | Q | 43.1 | Very low | 42.6 | Very low | 193 Ų | 193 | 120.6 Ų | 120.6 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | | | | 29.4 | 107.5 | 126.6 | -155.1 | 156.8 | 15 | 0 | 0 | 117.7 | G51 | G51-Q53 PolarHBondContact O-N 3.13Š|
| 54 | G | 37 | Very low | 42.2 | Very low | 82 Ų | 82 | 116.8 Ų | 116.8 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | 140.8 | 97.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 55 | G | 39.9 | Very low | 41.9 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | trans | 172.6 | 66.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 56 | N | 41.1 | Very low | 41.9 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 62% | 0.62 | 76% | 0.764 | S | S | * | * | | | trans | 32.2 | 94.3 | 135.6 | -152.5 | 0.4 | 0 | 0 | 0 | 118.1 | R79 | N56-R79 PolarHBondContact ND2-NH1 3.35Š|
| 57 | S | 42.7 | Very low | 41.8 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | | | trans | 29.3 | 101.8 | 147.6 | -122.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 58 | G | 36.9 | Very low | 41.8 | Very low | 47 Ų | 47 | 117.3 Ų | 117.3 | 49% | 0.485 | 75% | 0.748 | S | S | . | * | | | trans | -166.9 | 102.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 59 | Y | 39.7 | Very low | 41.5 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 49% | 0.494 | 75% | 0.75 | S | S | . | * | | | trans | 44.3 | 83.3 | 146 | -10.7 | -75 | 0 | 0 | 0 | 116.7 | C61 I76 S77 | Y59-C61 PolarHBondContact O-N 2.87Å; Y59-I76 HydrophobicContact CD2-CG1 4.19Å; Y59-I76 HydrophobicContact CD2-CG2 4.19Å; Y59-I76 HydrophobicContact CE2-CB 4.35Å; Y59-I76 HydrophobicContact CE2-CG1 4.45Å; Y59-I76 HydrophobicContact CE2-CG2 3.91Å; Y59-S77 WeakPolarHBondContact OH-CB 3.26Å; Y59-S77 PolarHBondContact OH-N 3.5Å |
| 60 | S | 41 | Very low | 41.9 | Very low | 117 Ų | 117 | 116.4 Ų | 116.4 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | | | trans | -79.8 | 103.5 | 163 | -58.6 | 0 | 0 | 0 | 0 | 108.8 | D62 | S60-D62 PolarHBondContact O-N 2.94Š|
| 61 | C | 49.4 | Very low | 42.1 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | | | trans | -71 | 101.9 | 157.1 | -48.8 | 0 | 0 | 0 | 0 | 106.1 | Y59 G63 C70 | Y59-C61 PolarHBondContact O-N 2.87Å; C61-G63 PolarHBondContact O-N 3.07Å; C61-G63 VanDerWaalsContact O-N 3.1Å; C61-C70 VanDerWaalsContact SG-SG 3.61Å |
| 62 | D | 47.7 | Very low | 41.8 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | -61.8 | 111.9 | 176.4 | 41.1 | -63.9 | 0 | 0 | 0 | 109.8 | S60 S64 | S60-D62 PolarHBondContact O-N 2.94Å; D62-S64 PolarHBondContact O-N 3.21Å |
| 63 | G | 42.4 | Very low | 41.6 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 71% | 0.706 | S | S | * | * | | | trans | -66.5 | 76.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110 | C61 | C61-G63 PolarHBondContact O-N 3.07Å; C61-G63 VanDerWaalsContact O-N 3.1Å |
| 64 | S | 37.4 | Very low | 41.4 | Very low | 79 Ų | 79 | 107.2 Ų | 107.2 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | | | trans | -95.4 | 132.1 | 169.4 | -168.4 | 0 | 0 | 0 | 0 | 109.5 | D62 N66 | D62-S64 PolarHBondContact O-N 3.21Å; S64-N66 PolarHBondContact O-N 3Å |
| 65 | W | 39.8 | Very low | 41.3 | Very low | 245 Ų | 245 | 110.4 Ų | 110.4 | 93% | 0.928 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 56.2 | -177.8 | -67.5 | 57.1 | 0 | 0 | 0 | 111.1 | | |
| 66 | N | 41.2 | Very low | 41.6 | Very low | 157 Ų | 157 | 113.3 Ų | 113.3 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.7 | 71.4 | 175.7 | -102.2 | -63.1 | 0 | 0 | 0 | 109.1 | S64 G68 | S64-N66 PolarHBondContact O-N 3Å; N66-G68 PolarHBondContact O-N 2.94Å |
| 67 | G | 37.7 | Very low | 41.5 | Very low | 74 Ų | 74 | 110.2 Ų | 110.2 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.5 | 38.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | R69 | G67-R69 PolarHBondContact O-N 2.96Š|
| 68 | G | 41.9 | Very low | 41.5 | Very low | 64 Ų | 64 | 110.9 Ų | 110.9 | 66% | 0.66 | 68% | 0.679 | S | S | * | * | | | trans | -61.3 | 103 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N66 C70 | N66-G68 PolarHBondContact O-N 2.94Å; G68-C70 PolarHBondContact O-N 3.05Å |
| 69 | R | 42.5 | Very low | 41.6 | Very low | 233 Ų | 233 | 117.5 Ų | 117.5 | 88% | 0.879 | 69% | 0.689 | S | S | * | * | | | trans | -71.2 | 112.6 | 171.3 | -68.4 | -177.8 | -165.5 | 175 | 4.7 | 109.4 | G67 V71 | G67-R69 PolarHBondContact O-N 2.96Å; R69-V71 PolarHBondContact O-N 2.89Å |
| 70 | C | 48.6 | Very low | 41.4 | Very low | 90 Ų | 90 | 115.1 Ų | 115.1 | 61% | 0.608 | 70% | 0.703 | S | S | * | * | | | trans | -72.3 | 106 | 157.2 | -64.5 | 0 | 0 | 0 | 0 | 107 | C61 G68 V72 | C61-C70 VanDerWaalsContact SG-SG 3.61Å; G68-C70 PolarHBondContact O-N 3.05Å; C70-V72 PolarHBondContact O-N 3.24Å |
| 71 | V | 44.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 116.5 Ų | 116.5 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | trans | -69.8 | 119 | 179.3 | -170.1 | 0 | 0 | 0 | 0 | 107.9 | R69 G73 | R69-V71 PolarHBondContact O-N 2.89Å; V71-G73 PolarHBondContact O-N 3.07Å |
| 72 | V | 35.9 | Very low | 40.6 | Very low | 77 Ų | 77 | 116.1 Ų | 116.1 | 47% | 0.467 | 72% | 0.717 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.7 | 118.3 | 167.1 | 170.2 | 0 | 0 | 0 | 0 | 109.1 | C70 N98 | C70-V72 PolarHBondContact O-N 3.24Å; V72-N98 HydrophobicContact CB-CB 4.42Å; V72-N98 HydrophobicContact CG1-CB 3.46Å; V72-N98 VanDerWaalsContact CG1-CB 3.46Å; V72-N98 WeakPolarHBondContact CG1-OD1 3.08Å; V72-N98 HydrophobicContact CG2-CB 4.23Å |
| 73 | G | 42.4 | Very low | 39.9 | Very low | 64 Ų | 64 | 113.3 Ų | 113.3 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131.1 | -4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V71 N75 | V71-G73 PolarHBondContact O-N 3.07Å; G73-N75 PolarHBondContact O-N 3.01Å; G73-N75 VanDerWaalsContact O-N 3.1Å |
| 74 | S | 39.1 | Very low | 39.3 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 62% | 0.615 | 72% | 0.719 | S | S | * | * | | | trans | -72 | 104.4 | 171.5 | -65.6 | 0 | 0 | 0 | 0 | 110.4 | I76 | S74-I76 VanDerWaalsContact C-N 3.32Å; S74-I76 PolarHBondContact O-N 3.46Å |
| 75 | N | 35.9 | Very low | 39.3 | Very low | 148 Ų | 148 | 120.1 Ų | 120.1 | 79% | 0.791 | 73% | 0.734 | S | S | * | * | | | trans | -57.6 | 91 | 168.8 | -61 | -74.3 | 0 | 0 | 0 | 109.5 | G73 S77 | G73-N75 PolarHBondContact O-N 3.01Å; G73-N75 VanDerWaalsContact O-N 3.1Å; N75-S77 PolarHBondContact O-N 3.48Å; N75-S77 VanDerWaalsContact O-N 3.08Å |
| 76 | I | 45.4 | Very low | 39.3 | Very low | 135 Ų | 135 | 112.7 Ų | 112.7 | 69% | 0.692 | 73% | 0.725 | S | S | * | * | | | trans | -75.1 | 104.7 | 171.1 | -61.5 | 177.5 | 0 | 0 | 0 | 106.7 | Y59 S74 | Y59-I76 HydrophobicContact CD2-CG1 4.19Å; Y59-I76 HydrophobicContact CD2-CG2 4.19Å; Y59-I76 HydrophobicContact CE2-CB 4.35Å; Y59-I76 HydrophobicContact CE2-CG1 4.45Å; Y59-I76 HydrophobicContact CE2-CG2 3.91Å; S74-I76 VanDerWaalsContact C-N 3.32Å; S74-I76 PolarHBondContact O-N 3.46Å |
| 77 | S | 39.7 | Very low | 39.1 | Very low | 50 Ų | 50 | 113.8 Ų | 113.8 | 35% | 0.35 | 73% | 0.725 | S | S | . | * | | | trans | -37.5 | 130.6 | 178.7 | 164.7 | 0 | 0 | 0 | 0 | 114.2 | Y59 N75 R79 | Y59-S77 WeakPolarHBondContact OH-CB 3.26Å; Y59-S77 PolarHBondContact OH-N 3.5Å; N75-S77 PolarHBondContact O-N 3.48Å; N75-S77 VanDerWaalsContact O-N 3.08Å; S77-R79 PolarHBondContact O-N 3.45Å |
| 78 | S | 41.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 90% | 0.895 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -62.2 | 56.5 | 168.8 | 35.5 | 0 | 0 | 0 | 0 | 114 | | |
| 79 | R | 39.3 | Very low | 38.5 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | | | trans | -143.3 | 90.9 | 174.8 | -69.9 | -178.6 | 177 | 167.6 | -1.8 | 109.8 | N56 S77 | N56-R79 PolarHBondContact ND2-NH1 3.35Å; S77-R79 PolarHBondContact O-N 3.45Å |
| 80 | G | 35.8 | Very low | 38.1 | Very low | 76 Ų | 76 | 119.2 Ų | 119.2 | 78% | 0.784 | 74% | 0.74 | S | S | * | * | | | trans | 169.9 | -7.7 | 169 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 81 | V | 42.7 | Very low | 37.5 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | | | trans | -120.1 | 78.3 | -179.8 | -167.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 82 | G | 31.8 | Very low | 37.3 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | trans | -72.7 | 126.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 83 | G | 33.1 | Very low | 37.7 | Very low | 71 Ų | 71 | 122.6 Ų | 122.6 | 73% | 0.732 | 75% | 0.747 | S | S | * | * | | | trans | 150.4 | 72.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 84 | G | 30.1 | Very low | 37.7 | Very low | 77 Ų | 77 | 123.5 Ų | 123.5 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | 69.9 | 87.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 85 | Y | 36.7 | Very low | 37.7 | Very low | 221 Ų | 221 | 129.2 Ų | 129.2 | 87% | 0.867 | 75% | 0.75 | S | S | * | * | | | | -155.9 | 142.1 | 127.8 | 53 | -85.1 | 0 | 0 | 0 | 108.7 | Q87 | Y85-Q87 PolarHBondContact O-N 2.82Å; Y85-Q87 VanDerWaalsContact O-N 3.17Å |
| 86 | A | 39.4 | Very low | 37.9 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | | | trans | -52.4 | 121.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | Q | 37.3 | Very low | 37.6 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | -37.8 | 145.3 | 140.9 | -42.4 | -95.5 | -14.8 | 0 | 0 | 108.3 | Y85 | Y85-Q87 PolarHBondContact O-N 2.82Å; Y85-Q87 VanDerWaalsContact O-N 3.17Å |
| 88 | M | 34.2 | Very low | 37.5 | Very low | 174 Ų | 174 | 130 Ų | 130 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | | | trans | 106.3 | 121.5 | 174.8 | -55.1 | -151.9 | 165.1 | 0 | 0 | 114.3 | | |
| 89 | Y | 32.5 | Very low | 37.4 | Very low | 228 Ų | 228 | 127.3 Ų | 127.3 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 91.6 | 56.3 | -174.5 | -65.4 | -87.8 | 0 | 0 | 0 | 117.2 | Q91 | Y89-Q91 PolarHBondContact O-N 2.84Š|
| 90 | G | 33.6 | Very low | 37.2 | Very low | 83 Ų | 83 | 130.3 Ų | 130.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | | | | 58.7 | 19 | 114.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 91 | Q | 35.9 | Very low | 37.2 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | | | trans | -95.2 | 107.2 | 177.6 | -159.7 | 169.5 | 62.9 | 0 | 0 | 111.2 | Y89 T93 | Y89-Q91 PolarHBondContact O-N 2.84Å; Q91-T93 PolarHBondContact O-N 3.43Å; Q91-T93 VanDerWaalsContact O-N 3.1Å |
| 92 | T | 41.3 | Very low | 37.1 | Very low | 63 Ų | 63 | 129.9 Ų | 129.9 | 39% | 0.387 | 75% | 0.754 | S | S | . | * | | | trans | -62.5 | 106.2 | 168.5 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | Q121 M125 | T92-Q121 HydrophobicContact CG2-CG 4.06Å; T92-M125 HydrophobicContact CG2-SD 3.92Å |
| 93 | T | 43.4 | Very low | 37.5 | Very low | 112 Ų | 112 | 130.1 Ų | 130.1 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.4 | 171.5 | 32.1 | 0 | 0 | 0 | 0 | 109.6 | Q91 Y95 | Q91-T93 PolarHBondContact O-N 3.43Å; Q91-T93 VanDerWaalsContact O-N 3.1Å; T93-Y95 PolarHBondContact O-N 3.29Å |
| 94 | P | 42.9 | Very low | 38.2 | Very low | 84 Ų | 84 | 133 Ų | 133 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -64.5 | 132.8 | 176.5 | 23.6 | -30.4 | 0 | 0 | 0 | 110.1 | M96 | P94-M96 PolarHBondContact O-N 3.08Š|
| 95 | Y | 38.7 | Very low | 38.6 | Very low | 207 Ų | 207 | 131.8 Ų | 131.8 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 118.4 | 180 | -158.6 | -96.5 | 0 | 0 | 0 | 109.8 | T93 S97 | T93-Y95 PolarHBondContact O-N 3.29Å; Y95-S97 PolarHBondContact O-N 2.78Å |
| 96 | M | 40.6 | Very low | 38.9 | Very low | 178 Ų | 178 | 129.3 Ų | 129.3 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | | | trans | -68.8 | 100.6 | 173.2 | -64.9 | -169.8 | 174.8 | 0 | 0 | 108.6 | P94 N98 | P94-M96 PolarHBondContact O-N 3.08Å; M96-N98 PolarHBondContact O-N 3.04Å |
| 97 | S | 40.3 | Very low | 39.2 | Very low | 70 Ų | 70 | 127.2 Ų | 127.2 | 49% | 0.49 | 72% | 0.722 | S | S | . | * | | | trans | -63.6 | 96.7 | 169 | 169 | 0 | 0 | 0 | 0 | 109.3 | Y95 G99 | Y95-S97 PolarHBondContact O-N 2.78Å; S97-G99 PolarHBondContact O-N 3.19Å; S97-G99 VanDerWaalsContact O-N 3.11Å |
| 98 | N | 37.7 | Very low | 39.8 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 48 | 57.7 | 137.3 | -59.5 | -7.7 | 0 | 0 | 0 | 115.9 | V72 M96 R100 | V72-N98 HydrophobicContact CB-CB 4.42Å; V72-N98 HydrophobicContact CG1-CB 3.46Å; V72-N98 VanDerWaalsContact CG1-CB 3.46Å; V72-N98 WeakPolarHBondContact CG1-OD1 3.08Å; V72-N98 HydrophobicContact CG2-CB 4.23Å; M96-N98 PolarHBondContact O-N 3.04Å; N98-R100 PolarHBondContact O-N 2.94Å |
| 99 | G | 37.2 | Very low | 40.9 | Very low | 71 Ų | 71 | 122.8 Ų | 122.8 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.5 | 9.6 | 136.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | S97 | S97-G99 PolarHBondContact O-N 3.19Å; S97-G99 VanDerWaalsContact O-N 3.11Å |
| 100 | R | 35.8 | Very low | 41.9 | Very low | 249 Ų | 249 | 118.2 Ų | 118.2 | 94% | 0.94 | 69% | 0.691 | S | S | * | * | | | trans | -152.7 | 94.4 | 169.3 | -95.9 | -177.9 | 179.3 | 179.4 | -1.7 | 111.5 | N98 | N98-R100 PolarHBondContact O-N 2.94Š|
| 101 | G | 37.1 | Very low | 42.9 | Very low | 68 Ų | 68 | 116.9 Ų | 116.9 | 70% | 0.701 | 66% | 0.664 | S | S | * | * | | | trans | 161.3 | 90 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 102 | V | 40.5 | Very low | 43.9 | Very low | 145 Ų | 145 | 113 Ų | 113 | 88% | 0.879 | 65% | 0.654 | S | S | * | * | | | | 48.8 | 114.6 | 106 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 103 | A | 40 | Very low | 44.5 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | | | trans | -45.7 | 132.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G105 | A103-G105 PolarHBondContact O-N 3.05Š|
| 104 | L | 46.1 | Very low | 45.2 | Very low | 132 Ų | 132 | 117.3 Ų | 117.3 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | | | trans | -71.9 | 61.6 | 157.1 | -65.5 | 171.9 | 0 | 0 | 0 | 108.7 | | |
| 105 | G | 39.4 | Very low | 45.8 | Very low | 50 Ų | 50 | 116.6 Ų | 116.6 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -85.7 | 115.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | A103 G107 | A103-G105 PolarHBondContact O-N 3.05Å; G105-G107 VanDerWaalsContact C-N 3.26Å; G105-G107 PolarHBondContact O-N 2.89Å |
| 106 | D | 43.7 | Very low | 46.7 | Very low | 170 Ų | 170 | 108.7 Ų | 108.7 | 91% | 0.909 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 62.5 | 13.8 | 169 | -50.1 | -33.2 | 0 | 0 | 0 | 118 | | |
| 107 | G | 45.4 | Very low | 47.5 | Very low | 45 Ų | 45 | 103 Ų | 103 | 46% | 0.464 | 60% | 0.601 | S | S | . | * | | | trans | -98.6 | 118.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G105 | G105-G107 VanDerWaalsContact C-N 3.26Å; G105-G107 PolarHBondContact O-N 2.89Å |
| 108 | Y | 48.9 | Very low | 48.5 | Very low | 209 Ų | 209 | 102 Ų | 102 | 82% | 0.82 | 59% | 0.589 | S | S | * | * | | | trans | -55 | 143.4 | 167.3 | -61.8 | -87.4 | 0 | 0 | 0 | 111.3 | T110 | Y108-T110 PolarHBondContact O-N 3.01Š|
| 109 | V | 58.5 | Low | 49.4 | Very low | 52 Ų | 52 | 100.4 Ų | 100.4 | 32% | 0.315 | 58% | 0.581 | S | S | . | * | | | trans | -62.9 | 110.2 | 169.2 | -175.7 | 0 | 0 | 0 | 0 | 107.7 | Q114 M115 I118 | V109-Q114 HydrophobicContact CG1-CB 3.85Å; V109-M115 HydrophobicContact CB-CG 4.24Å; V109-M115 HydrophobicContact CG1-CG 3.72Å; V109-I118 HydrophobicContact CG1-CD1 4.28Å; V109-I118 HydrophobicContact CG2-CD1 3.86Å |
| 110 | T | 53.9 | Low | 50.5 | Low | 132 Ų | 132 | 104 Ų | 104 | 81% | 0.81 | 58% | 0.579 | S | S | * | * | | | trans | -104.1 | -11 | -178.3 | 42.8 | 0 | 0 | 0 | 0 | 113 | Y108 | Y108-T110 PolarHBondContact O-N 3.01Š|
| 111 | D | 54.6 | Low | 51.6 | Low | 54 Ų | 54 | 95.8 Ų | 95.8 | 29% | 0.289 | 55% | 0.551 | S | S | . | * | | | trans | -91.8 | 117.5 | -179.7 | -177 | -8.1 | 0 | 0 | 0 | 110.5 | Y113 Q114 M115 | D111-Y113 PolarHBondContact O-N 2.99Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.45Å; D111-Y113 WeakPolarHBondContact OD1-CD2 3.42Å; D111-Y113 PolarHBondContact OD1-N 3.11Å; D111-Q114 HydrophobicContact CB-CB 4.01Å; D111-Q114 HydrophobicContact CB-CG 3.84Å; D111-Q114 PolarHBondContact O-N 3.17Å; D111-Q114 PolarHBondContact OD2-NE2 3.06Å; D111-M115 PolarHBondContact O-N 3.21Å |
| 112 | P | 56.3 | Low | 52.6 | Low | 93 Ų | 93 | 97 Ų | 97 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.7 | -27.4 | 179.6 | 23.7 | -32.8 | 0 | 0 | 0 | 113 | A116 | P112-A116 WeakPolarHBondContact O-CB 3.31Å; P112-A116 PolarHBondContact O-N 2.95Å |
| 113 | Y | 52.8 | Low | 53.4 | Low | 191 Ų | 191 | 91.3 Ų | 91.3 | 75% | 0.749 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.9 | -31.1 | 176.2 | -65.4 | -76.3 | 0 | 0 | 0 | 112.4 | D111 A116 S117 | D111-Y113 PolarHBondContact O-N 2.99Å; D111-Y113 WeakPolarHBondContact OD1-CB 3.45Å; D111-Y113 WeakPolarHBondContact OD1-CD2 3.42Å; D111-Y113 PolarHBondContact OD1-N 3.11Å; Y113-A116 PolarHBondContact O-N 3.41Å; Y113-S117 PolarHBondContact O-N 3.05Å; Y113-S117 VanDerWaalsContact O-N 3.17Å; Y113-S117 PolarHBondContact O-OG 3.36Å |
| 114 | Q | 58.3 | Low | 54.1 | Low | 73 Ų | 73 | 89.3 Ų | 89.3 | 34% | 0.341 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -75.8 | -35.9 | 173.9 | -65.9 | 177.9 | 32.1 | 0 | 0 | 111.4 | V109 D111 A116 S117 I118 | V109-Q114 HydrophobicContact CG1-CB 3.85Å; D111-Q114 HydrophobicContact CB-CB 4.01Å; D111-Q114 HydrophobicContact CB-CG 3.84Å; D111-Q114 PolarHBondContact O-N 3.17Å; D111-Q114 PolarHBondContact OD2-NE2 3.06Å; Q114-A116 VanDerWaalsContact C-N 3.32Å; Q114-A116 PolarHBondContact O-N 3.45Å; Q114-S117 WeakPolarHBondContact CA-OG 3.4Å; Q114-S117 PolarHBondContact O-N 2.84Å; Q114-S117 PolarHBondContact O-OG 3.43Å; Q114-I118 WeakPolarHBondContact O-CB 3.45Å; Q114-I118 WeakPolarHBondContact O-CD1 3.5Å; Q114-I118 WeakPolarHBondContact O-CG1 3.38Å; Q114-I118 PolarHBondContact O-N 3.38Å |
| 115 | M | 56.9 | Low | 54.3 | Low | 69 Ų | 69 | 88.6 Ų | 88.6 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 169.1 | -89.7 | -170.4 | 164.9 | 0 | 0 | 111.7 | V109 D111 S117 I118 N119 F142 | V109-M115 HydrophobicContact CB-CG 4.24Å; V109-M115 HydrophobicContact CG1-CG 3.72Å; D111-M115 PolarHBondContact O-N 3.21Å; M115-S117 PolarHBondContact O-N 2.92Å; M115-I118 PolarHBondContact O-N 3.41Å; M115-N119 VanDerWaalsContact O-CB 3.31Å; M115-N119 WeakPolarHBondContact O-CB 3.36Å; M115-N119 VanDerWaalsContact O-CG 3.3Å; M115-N119 PolarHBondContact O-N 3.01Å; M115-N119 PolarHBondContact O-ND2 2.87Å; M115-F142 HydrophobicContact CE-CD2 3.93Å; M115-F142 HydrophobicContact CE-CE2 4.41Å |
| 116 | A | 57.7 | Low | 54.7 | Low | 42 Ų | 42 | 92.8 Ų | 92.8 | 35% | 0.347 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P112 Y113 Q114 Q120 | P112-A116 WeakPolarHBondContact O-CB 3.31Å; P112-A116 PolarHBondContact O-N 2.95Å; Y113-A116 PolarHBondContact O-N 3.41Å; Q114-A116 VanDerWaalsContact C-N 3.32Å; Q114-A116 PolarHBondContact O-N 3.45Å; A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 WeakPolarHBondContact O-CG 3.5Å; A116-Q120 PolarHBondContact O-N 2.92Å |
| 117 | S | 56.4 | Low | 55.2 | Low | 58 Ų | 58 | 91.3 Ų | 91.3 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73 | -36.7 | 176.6 | 56.5 | 0 | 0 | 0 | 0 | 112.3 | Y113 Q114 M115 Q120 Q121 | Y113-S117 PolarHBondContact O-N 3.05Å; Y113-S117 VanDerWaalsContact O-N 3.17Å; Y113-S117 PolarHBondContact O-OG 3.36Å; Q114-S117 WeakPolarHBondContact CA-OG 3.4Å; Q114-S117 PolarHBondContact O-N 2.84Å; Q114-S117 PolarHBondContact O-OG 3.43Å; M115-S117 PolarHBondContact O-N 2.92Å; S117-Q120 PolarHBondContact O-N 3.2Å; S117-Q121 WeakPolarHBondContact O-CB 3.48Å; S117-Q121 PolarHBondContact O-N 3.43Å |
| 118 | I | 61.7 | Low | 55.2 | Low | 49 Ų | 49 | 98.9 Ų | 98.9 | 25% | 0.251 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -42.6 | 172.7 | -67.3 | 165 | 0 | 0 | 0 | 110.6 | V109 Q114 M115 Q120 Q121 M122 | V109-I118 HydrophobicContact CG1-CD1 4.28Å; V109-I118 HydrophobicContact CG2-CD1 3.86Å; Q114-I118 WeakPolarHBondContact O-CB 3.45Å; Q114-I118 WeakPolarHBondContact O-CD1 3.5Å; Q114-I118 WeakPolarHBondContact O-CG1 3.38Å; Q114-I118 PolarHBondContact O-N 3.38Å; M115-I118 PolarHBondContact O-N 3.41Å; I118-Q120 VanDerWaalsContact C-N 3.35Å; I118-Q120 PolarHBondContact O-N 3.42Å; I118-Q121 PolarHBondContact O-N 2.93Å; I118-M122 HydrophobicContact CG2-CE 3.72Å; I118-M122 HydrophobicContact CG2-SD 4.24Å; I118-M122 WeakPolarHBondContact O-CG 3.39Å; I118-M122 PolarHBondContact O-N 2.9Å |
| 119 | N | 56.6 | Low | 54.9 | Low | 68 Ų | 68 | 95.2 Ų | 95.2 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 175.7 | -78.7 | -19.4 | 0 | 0 | 0 | 112.4 | M115 M122 G123 | M115-N119 VanDerWaalsContact O-CB 3.31Å; M115-N119 WeakPolarHBondContact O-CB 3.36Å; M115-N119 VanDerWaalsContact O-CG 3.3Å; M115-N119 PolarHBondContact O-N 3.01Å; M115-N119 PolarHBondContact O-ND2 2.87Å; N119-M122 WeakPolarHBondContact OD1-CE 3.4Å; N119-G123 PolarHBondContact O-N 3.02Å |
| 120 | Q | 59.9 | Low | 54 | Low | 148 Ų | 148 | 99.4 Ų | 99.4 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.9 | -37.8 | 172.9 | -78.1 | -179.3 | 73.2 | 0 | 0 | 112.6 | A116 S117 I118 G123 G124 | A116-Q120 WeakPolarHBondContact O-CB 3.46Å; A116-Q120 WeakPolarHBondContact O-CG 3.5Å; A116-Q120 PolarHBondContact O-N 2.92Å; S117-Q120 PolarHBondContact O-N 3.2Å; I118-Q120 VanDerWaalsContact C-N 3.35Å; I118-Q120 PolarHBondContact O-N 3.42Å; Q120-G123 PolarHBondContact O-N 2.83Å; Q120-G124 PolarHBondContact O-N 3.1Å |
| 121 | Q | 58.5 | Low | 53.4 | Low | 76 Ų | 76 | 96.3 Ų | 96.3 | 36% | 0.355 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.8 | -168.8 | 170.9 | 35.9 | 0 | 0 | 111.3 | T92 S117 I118 G124 M125 | T92-Q121 HydrophobicContact CG2-CG 4.06Å; S117-Q121 WeakPolarHBondContact O-CB 3.48Å; S117-Q121 PolarHBondContact O-N 3.43Å; I118-Q121 PolarHBondContact O-N 2.93Å; Q121-G124 PolarHBondContact O-N 2.91Å; Q121-M125 WeakPolarHBondContact O-CG 3.21Å; Q121-M125 PolarHBondContact O-N 3.23Å |
| 122 | M | 58.6 | Low | 53.1 | Low | 92 Ų | 92 | 99.9 Ų | 99.9 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 173.6 | -67.3 | -172.9 | -59.7 | 0 | 0 | 112 | I118 N119 G124 M125 | I118-M122 HydrophobicContact CG2-CE 3.72Å; I118-M122 HydrophobicContact CG2-SD 4.24Å; I118-M122 WeakPolarHBondContact O-CG 3.39Å; I118-M122 PolarHBondContact O-N 2.9Å; N119-M122 WeakPolarHBondContact OD1-CE 3.4Å; M122-G124 VanDerWaalsContact C-N 3.3Å; M122-G124 PolarHBondContact O-N 3.11Å; M122-M125 PolarHBondContact O-N 2.8Å |
| 123 | G | 56.9 | Low | 52.4 | Low | 26 Ų | 26 | 100.4 Ų | 100.4 | 27% | 0.268 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -33.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N119 Q120 M125 M126 | N119-G123 PolarHBondContact O-N 3.02Å; Q120-G123 PolarHBondContact O-N 2.83Å; G123-M125 VanDerWaalsContact C-N 3.28Å; G123-M125 PolarHBondContact O-N 2.97Å; G123-M126 PolarHBondContact O-N 3.41Å |
| 124 | G | 54.1 | Low | 51.8 | Low | 46 Ų | 46 | 96.6 Ų | 96.6 | 47% | 0.474 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.8 | -22.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q120 Q121 M122 | Q120-G124 PolarHBondContact O-N 3.1Å; Q121-G124 PolarHBondContact O-N 2.91Å; M122-G124 VanDerWaalsContact C-N 3.3Å; M122-G124 PolarHBondContact O-N 3.11Å |
| 125 | M | 51.8 | Low | 51.1 | Low | 118 Ų | 118 | 97.7 Ų | 97.7 | 58% | 0.581 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -84.9 | -13 | 175.5 | -62.9 | -163.6 | -57.5 | 0 | 0 | 113.3 | T92 Q121 M122 G123 L127 | T92-M125 HydrophobicContact CG2-SD 3.92Å; Q121-M125 WeakPolarHBondContact O-CG 3.21Å; Q121-M125 PolarHBondContact O-N 3.23Å; M122-M125 PolarHBondContact O-N 2.8Å; G123-M125 VanDerWaalsContact C-N 3.28Å; G123-M125 PolarHBondContact O-N 2.97Å; M125-L127 VanDerWaalsContact C-N 3.32Å |
| 126 | M | 48 | Very low | 50.6 | Low | 138 Ų | 138 | 98.7 Ų | 98.7 | 68% | 0.68 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 2.3 | 176.9 | -65.8 | -164.8 | -74.5 | 0 | 0 | 113.7 | G123 | G123-M126 PolarHBondContact O-N 3.41Š|
| 127 | L | 53.5 | Low | 50.2 | Low | 138 Ų | 138 | 102.5 Ų | 102.5 | 72% | 0.723 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -93.5 | 11.9 | -172.9 | -78.7 | 163.2 | 0 | 0 | 0 | 115 | M125 | M125-L127 VanDerWaalsContact C-N 3.32Š|
| 128 | F | 45.2 | Very low | 50.1 | Low | 204 Ų | 204 | 106.2 Ų | 106.2 | 90% | 0.895 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -127.6 | 54.2 | 175.8 | -97.7 | -87.2 | 0 | 0 | 0 | 112.3 | | |
| 129 | E | 42.4 | Very low | 49.5 | Very low | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | | | trans | -141.3 | 106.9 | 163.1 | -136.8 | -179.9 | 167.2 | 0 | 0 | 110.6 | G131 L132 | E129-G131 PolarHBondContact O-N 3.11Å; E129-L132 WeakPolarHBondContact OE2-CD1 3.46Å |
| 130 | P | 41 | Very low | 49.4 | Very low | 141 Ų | 141 | 114.3 Ų | 114.3 | 92% | 0.916 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 90.1 | 175 | 31.4 | -29.4 | 0 | 0 | 0 | 108.2 | | |
| 131 | G | 41.2 | Very low | 49.2 | Very low | 67 Ų | 67 | 113.2 Ų | 113.2 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.2 | -14.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | E129 S133 | E129-G131 PolarHBondContact O-N 3.11Å; G131-S133 PolarHBondContact O-N 2.93Å |
| 132 | L | 46.4 | Very low | 49.2 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | | | trans | -95.2 | 87.1 | 174.1 | -68.9 | -177.3 | 0 | 0 | 0 | 110 | E129 S134 | E129-L132 WeakPolarHBondContact OE2-CD1 3.46Å; L132-S134 PolarHBondContact O-N 3.24Å |
| 133 | S | 42.3 | Very low | 48.9 | Very low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 68% | 0.678 | S | S | * | * | | | trans | -50.3 | 116.9 | 169.8 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | G131 A135 | G131-S133 PolarHBondContact O-N 2.93Å; S133-A135 PolarHBondContact O-N 3.17Å |
| 134 | S | 41.3 | Very low | 48.9 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | | | trans | 41.7 | 63.6 | 141.5 | 68.1 | 0 | 0 | 0 | 0 | 116.1 | L132 S136 | L132-S134 PolarHBondContact O-N 3.24Å; S134-S136 PolarHBondContact O-N 3.42Å; S134-S136 VanDerWaalsContact O-N 3.14Å |
| 135 | A | 42.7 | Very low | 49.1 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -72 | 106.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | S133 H137 | S133-A135 PolarHBondContact O-N 3.17Å; A135-H137 PolarHBondContact O-N 3.22Å |
| 136 | S | 46.6 | Very low | 49 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | | | trans | -40.4 | 130.1 | 174.4 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | S134 Q138 | S134-S136 PolarHBondContact O-N 3.42Å; S134-S136 VanDerWaalsContact O-N 3.14Å; S136-Q138 PolarHBondContact O-N 3.19Å |
| 137 | H | 50.2 | Low | 49.3 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 57% | 0.565 | 73% | 0.728 | S | S | * | * | | | trans | -51.5 | 107.2 | 167.3 | -147.3 | 73.6 | 0 | 0 | 0 | 107.6 | A135 D139 | A135-H137 PolarHBondContact O-N 3.22Å; H137-D139 IonicContact CD2-OD1 3.65Å; H137-D139 PolarHBondContact O-N 3.33Å |
| 138 | Q | 53 | Low | 49.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | trans | -76.6 | 102.1 | 173.9 | -70.7 | -96.6 | 2.9 | 0 | 0 | 105.8 | S136 F140 | S136-Q138 PolarHBondContact O-N 3.19Å; Q138-F140 VanDerWaalsContact C-N 3.31Å; Q138-F140 HydrophobicContact CB-CD2 4.18Å; Q138-F140 HydrophobicContact CB-CE2 3.61Å; Q138-F140 HydrophobicContact CB-CZ 3.93Å; Q138-F140 VanDerWaalsContact O-CD2 3.26Å; Q138-F140 WeakPolarHBondContact O-CD2 3.48Å; Q138-F140 PolarHBondContact O-N 3.19Å |
| 139 | D | 50 | Low | 49.5 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -66.6 | 87.1 | 176.9 | -70.6 | -39.1 | 0 | 0 | 0 | 109.9 | H137 V141 | H137-D139 IonicContact CD2-OD1 3.65Å; H137-D139 PolarHBondContact O-N 3.33Å; D139-V141 PolarHBondContact O-N 3.1Å |
| 140 | F | 54.3 | Low | 49.9 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | | | trans | -76.6 | 110.6 | 170.8 | -65.5 | -74.5 | 0 | 0 | 0 | 109.7 | Q138 F142 | Q138-F140 VanDerWaalsContact C-N 3.31Å; Q138-F140 HydrophobicContact CB-CD2 4.18Å; Q138-F140 HydrophobicContact CB-CE2 3.61Å; Q138-F140 HydrophobicContact CB-CZ 3.93Å; Q138-F140 VanDerWaalsContact O-CD2 3.26Å; Q138-F140 WeakPolarHBondContact O-CD2 3.48Å; Q138-F140 PolarHBondContact O-N 3.19Å; F140-F142 HydrophobicContact CB-CD2 4.41Å; F140-F142 HydrophobicContact CB-CE2 3.87Å; F140-F142 HydrophobicContact CB-CZ 4.25Å; F140-F142 PolarHBondContact O-N 3.02Å |
| 141 | V | 54.6 | Low | 50.2 | Low | 124 Ų | 124 | 120.6 Ų | 120.6 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | | | trans | -84.7 | 103 | 168.2 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | D139 Q143 | D139-V141 PolarHBondContact O-N 3.1Å; V141-Q143 PolarHBondContact O-N 2.84Å |
| 142 | F | 58.2 | Low | 50.2 | Low | 154 Ų | 154 | 125 Ų | 125 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | -77.2 | 111.4 | 170.1 | -68.5 | -81.4 | 0 | 0 | 0 | 109.7 | M115 F140 | M115-F142 HydrophobicContact CE-CD2 3.93Å; M115-F142 HydrophobicContact CE-CE2 4.41Å; F140-F142 HydrophobicContact CB-CD2 4.41Å; F140-F142 HydrophobicContact CB-CE2 3.87Å; F140-F142 HydrophobicContact CB-CZ 4.25Å; F140-F142 PolarHBondContact O-N 3.02Å |
| 143 | Q | 53.7 | Low | 50.5 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 78% | 0.78 | 72% | 0.721 | S | S | * | * | | | trans | -80.5 | 123 | 168.8 | -64.5 | -176.5 | 13 | 0 | 0 | 108.9 | V141 T145 | V141-Q143 PolarHBondContact O-N 2.84Å; Q143-T145 PolarHBondContact O-N 3.07Å |
| 144 | P | 56.8 | Low | 50.8 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -66.3 | 109.2 | 172.4 | 24.5 | -30.1 | 0 | 0 | 0 | 109.2 | K146 | P144-K146 PolarHBondContact O-N 3.35Š|
| 145 | T | 57.7 | Low | 50.7 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | | | trans | -67.9 | 119.1 | 169.1 | 32.8 | 0 | 0 | 0 | 0 | 108.4 | Q143 G147 | Q143-T145 PolarHBondContact O-N 3.07Å; T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 2.9Å |
| 146 | K | 50 | Low | 50.8 | Low | 210 Ų | 210 | 131.7 Ų | 131.7 | 91% | 0.913 | 72% | 0.721 | S | S | * | * | | | trans | -64.4 | 95.4 | 170.7 | -69.4 | 179.8 | -178 | 174.6 | 0 | 108 | P144 | P144-K146 PolarHBondContact O-N 3.35Š|
| 147 | G | 53.9 | Low | 50.8 | Low | 48 Ų | 48 | 139.3 Ų | 139.3 | 50% | 0.495 | 74% | 0.736 | S | S | . | * | | | trans | -59 | 156.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | T145 V149 | T145-G147 VanDerWaalsContact C-N 3.33Å; T145-G147 PolarHBondContact O-N 2.9Å; G147-V149 PolarHBondContact O-N 2.73Å; G147-V149 VanDerWaalsContact O-N 3.13Å |
| 148 | P | 51.6 | Low | 50.5 | Low | 120 Ų | 120 | 136.5 Ų | 136.5 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | -58.1 | 121.2 | 177.6 | 24.5 | -32.4 | 0 | 0 | 0 | 109.3 | V150 | P148-V150 PolarHBondContact O-N 3.08Š|
| 149 | V | 52.2 | Low | 50.2 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | -68.3 | 96.5 | 174.2 | -179.4 | 0 | 0 | 0 | 0 | 107.3 | G147 F153 | G147-V149 PolarHBondContact O-N 2.73Å; G147-V149 VanDerWaalsContact O-N 3.13Å; V149-F153 HydrophobicContact CG1-CD2 4.42Å |
| 150 | V | 50.7 | Low | 49.9 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | | | trans | -89.7 | 108.9 | 168.2 | -180 | 0 | 0 | 0 | 0 | 107 | P148 | P148-V150 PolarHBondContact O-N 3.08Š|
| 151 | G | 47.9 | Very low | 49.6 | Very low | 43 Ų | 43 | 141.7 Ų | 141.7 | 44% | 0.443 | 77% | 0.768 | S | S | . | * | S | Bend | trans | 117.8 | 117.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F153 | G151-F153 WeakPolarHBondContact O-CD2 2.93Å; G151-F153 PolarHBondContact O-N 3.37Å |
| 152 | D | 41.2 | Very low | 49.1 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | trans | -56.3 | 96.1 | -177.4 | -58 | -63.3 | 0 | 0 | 0 | 113 | N154 | D152-N154 PolarHBondContact O-N 2.82Å; D152-N154 VanDerWaalsContact O-N 3.08Å |
| 153 | F | 52.4 | Low | 48.6 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | | | trans | -74.2 | 98 | 159 | -72.4 | -83.8 | 0 | 0 | 0 | 108 | V149 G151 Y155 | V149-F153 HydrophobicContact CG1-CD2 4.42Å; G151-F153 WeakPolarHBondContact O-CD2 2.93Å; G151-F153 PolarHBondContact O-N 3.37Å; F153-Y155 HydrophobicContact CB-CD2 3.83Å; F153-Y155 HydrophobicContact CB-CE2 3.52Å; F153-Y155 HydrophobicContact CG-CE2 4.31Å; F153-Y155 WeakPolarHBondContact O-CD2 2.87Å; F153-Y155 PolarHBondContact O-N 2.81Å |
| 154 | N | 47.4 | Very low | 48.2 | Very low | 152 Ų | 152 | 141.6 Ų | 141.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -61.7 | 81.3 | 173.2 | -118.7 | -60.6 | 0 | 0 | 0 | 110.4 | D152 G156 | D152-N154 PolarHBondContact O-N 2.82Å; D152-N154 VanDerWaalsContact O-N 3.08Å; N154-G156 PolarHBondContact O-N 3.1Å; N154-G156 VanDerWaalsContact O-N 3.07Å |
| 155 | Y | 40.1 | Very low | 48.1 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | -82.5 | 63.4 | 165 | -71.7 | -77 | 0 | 0 | 0 | 109.4 | F153 R157 | F153-Y155 HydrophobicContact CB-CD2 3.83Å; F153-Y155 HydrophobicContact CB-CE2 3.52Å; F153-Y155 HydrophobicContact CG-CE2 4.31Å; F153-Y155 WeakPolarHBondContact O-CD2 2.87Å; F153-Y155 PolarHBondContact O-N 2.81Å; Y155-R157 PolarHBondContact O-N 3.19Å |
| 156 | G | 44.8 | Very low | 47.8 | Very low | 65 Ų | 65 | 143.5 Ų | 143.5 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | -87.1 | 78.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N154 G158 | N154-G156 PolarHBondContact O-N 3.1Å; N154-G156 VanDerWaalsContact O-N 3.07Å; G156-G158 PolarHBondContact O-N 3.3Å; G156-G158 VanDerWaalsContact O-N 3.11Å |
| 157 | R | 45.3 | Very low | 47.5 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | | | trans | -61.7 | 107.2 | 165.7 | -176.3 | -162.3 | -75 | -167.9 | -2.8 | 108.9 | Y155 | Y155-R157 PolarHBondContact O-N 3.19Š|
| 158 | G | 44.8 | Very low | 47.4 | Very low | 63 Ų | 63 | 143.5 Ų | 143.5 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | 108.5 | 106.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G156 | G156-G158 PolarHBondContact O-N 3.3Å; G156-G158 VanDerWaalsContact O-N 3.11Å |
| 159 | Q | 47.3 | Very low | 47.2 | Very low | 200 Ų | 200 | 143.7 Ų | 143.7 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | | | | -144 | 103.4 | 129.6 | -74.9 | -154.7 | 36 | 0 | 0 | 109.2 | | |
| 160 | R | 44.2 | Very low | 47.1 | Very low | 264 Ų | 264 | 149.3 Ų | 149.3 | 100% | 0.996 | 79% | 0.786 | S | S | * | * | | | trans | -81.7 | 104.6 | 164.9 | -164.9 | -175.8 | -165 | -155.1 | 5.2 | 105.5 | | |
| 161 | G | 46.9 | Very low | 46.9 | Very low | 68 Ų | 68 | 149.9 Ų | 149.9 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | | | trans | -175.2 | 91.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 162 | G | 43.9 | Very low | 46.9 | Very low | 72 Ų | 72 | 155.5 Ų | 155.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 55.7 | 111.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 163 | R | 48.4 | Very low | 47.2 | Very low | 241 Ų | 241 | 155.2 Ų | 155.2 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | | -175.6 | 95.1 | 103.9 | -95.7 | 169.6 | -170.7 | -163.8 | 2.9 | 109.4 | S165 | R163-S165 PolarHBondContact O-N 3.28Š|
| 164 | S | 44.6 | Very low | 46.9 | Very low | 131 Ų | 131 | 155.2 Ų | 155.2 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | | | trans | -66.8 | 115.9 | 150.7 | -177.2 | 0 | 0 | 0 | 0 | 107 | | |
| 165 | S | 55.7 | Low | 46.9 | Very low | 77 Ų | 77 | 155.4 Ų | 155.4 | 54% | 0.538 | 80% | 0.804 | S | S | . | * | | | trans | -169.2 | 132.9 | 151.7 | 62.2 | 0 | 0 | 0 | 0 | 110.1 | R163 | R163-S165 PolarHBondContact O-N 3.28Š|
| 166 | R | 50 | Low | 47.3 | Very low | 224 Ų | 224 | 151.9 Ų | 151.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | 94.8 | 74.4 | 161 | -59.3 | 179.6 | -85.9 | 172.9 | -5.5 | 116 | | |
| 167 | G | 44.9 | Very low | 47.5 | Very low | 74 Ų | 74 | 158.1 Ų | 158.1 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -57.2 | 146.8 | 130.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 168 | R | 51.4 | Low | 47.7 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | trans | -131.6 | 114.6 | 154.8 | -69.6 | 179.9 | 93.5 | -154.6 | 4.3 | 106 | Y170 | R168-Y170 PolarHBondContact NH1-OH 3.25Å; R168-Y170 PolarHBondContact NH2-OH 3.45Å |
| 169 | P | 47.3 | Very low | 47.9 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | | | trans | -94.3 | 122.8 | 157.6 | 32.3 | -22.1 | 0 | 0 | 0 | 108.7 | | |
| 170 | Y | 50.3 | Low | 48 | Very low | 242 Ų | 242 | 154.6 Ų | 154.6 | 95% | 0.949 | 81% | 0.805 | S | S | * | * | | | trans | -157.7 | 0 | 140 | 48.2 | -101.8 | 0 | 0 | 0 | 107.7 | R168 | R168-Y170 PolarHBondContact NH1-OH 3.25Å; R168-Y170 PolarHBondContact NH2-OH 3.45Å |