| 1 | M | 47.7 | Very low | 51.7 | Low | 245 Ų | 245 | 169.6 Ų | 169.6 | 100% | 1.207 | 84% | 0.84 | S | S | * | * | | | | 0 | 117 | 0 | -76.2 | 172.5 | -176.2 | 0 | 0 | 108.3 | | |
| 2 | I | 48.3 | Very low | 51.5 | Low | 169 Ų | 169 | 163.3 Ų | 163.3 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 125.8 | -177.2 | -56.2 | 169.5 | 0 | 0 | 0 | 107 | Q4 | I2-Q4 PolarHBondContact O-N 3.45Š|
| 3 | R | 59.2 | Low | 51.4 | Low | 238 Ų | 238 | 164.6 Ų | 164.6 | 90% | 0.898 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.7 | 178 | -71.8 | 177.1 | 173.4 | -109.9 | 0.6 | 109 | | |
| 4 | Q | 51.9 | Low | 51 | Low | 187 Ų | 187 | 161.5 Ų | 161.5 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -73 | 129.8 | 170.7 | -65.6 | -177.6 | 3.5 | 0 | 0 | 109.1 | I2 | I2-Q4 PolarHBondContact O-N 3.45Š|
| 5 | V | 51.7 | Low | 51.6 | Low | 133 Ų | 133 | 155.8 Ų | 155.8 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | | | trans | -90.4 | 111.4 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 106.8 | N7 | V5-N7 PolarHBondContact O-N 3.04Å; V5-N7 VanDerWaalsContact O-N 3.12Å |
| 6 | T | 55 | Low | 51.7 | Low | 133 Ų | 133 | 160.9 Ų | 160.9 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | | | trans | -64 | 106.4 | 171.7 | 38.2 | 0 | 0 | 0 | 0 | 109.5 | N8 | T6-N8 PolarHBondContact O-N 3.08Š|
| 7 | N | 48.1 | Very low | 51.5 | Low | 145 Ų | 145 | 158.4 Ų | 158.4 | 78% | 0.775 | 83% | 0.827 | S | S | * | * | | | trans | -73.4 | 103.2 | 167 | -121.7 | -65.6 | 0 | 0 | 0 | 107.5 | V5 | V5-N7 PolarHBondContact O-N 3.04Å; V5-N7 VanDerWaalsContact O-N 3.12Å |
| 8 | N | 53 | Low | 51.1 | Low | 128 Ų | 128 | 155.3 Ų | 155.3 | 68% | 0.684 | 82% | 0.821 | S | S | * | * | | | trans | -88.3 | 104.7 | 170.7 | -171.8 | -32.1 | 0 | 0 | 0 | 107.7 | T6 D10 | T6-N8 PolarHBondContact O-N 3.08Å; N8-D10 PolarHBondContact OD1-N 3.36Å; N8-D10 PolarHBondContact OD1-OD2 3.15Å; N8-D10 VanDerWaalsContact OD1-OD2 3.04Å |
| 9 | N | 54.6 | Low | 51.2 | Low | 138 Ų | 138 | 153.9 Ų | 153.9 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | | | trans | -125.6 | 64.6 | 179.9 | -146.2 | 2.9 | 0 | 0 | 0 | 107.7 | Y11 | N9-Y11 PolarHBondContact O-N 3.06Š|
| 10 | D | 55.9 | Low | 51.3 | Low | 144 Ų | 144 | 153.9 Ų | 153.9 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | | | trans | -78.6 | 100.6 | 172.7 | -75.3 | -45.9 | 0 | 0 | 0 | 110 | N8 | N8-D10 PolarHBondContact OD1-N 3.36Å; N8-D10 PolarHBondContact OD1-OD2 3.15Å; N8-D10 VanDerWaalsContact OD1-OD2 3.04Å |
| 11 | Y | 43.8 | Very low | 51.3 | Low | 206 Ų | 206 | 150.8 Ų | 150.8 | 81% | 0.808 | 82% | 0.818 | S | S | * | * | | | trans | -67.6 | 136.3 | 172.9 | -156.9 | -104.3 | 0 | 0 | 0 | 110.7 | N9 | N9-Y11 PolarHBondContact O-N 3.06Š|
| 12 | C | 48.6 | Very low | 51 | Low | 94 Ų | 94 | 147.6 Ų | 147.6 | 64% | 0.635 | 80% | 0.8 | S | S | * | * | | | trans | 56.7 | 113.1 | 156.5 | -71.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 13 | M | 50.7 | Low | 51.3 | Low | 180 Ų | 180 | 147.6 Ų | 147.6 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | | 179.2 | 140.9 | 115.3 | -83.3 | -114.9 | 85.7 | 0 | 0 | 110 | | |
| 14 | S | 45.8 | Very low | 51.1 | Low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | | | trans | 98.7 | 81.6 | 167.1 | -51.5 | 0 | 0 | 0 | 0 | 118.1 | | |
| 15 | G | 59.2 | Low | 51 | Low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | | 101.5 | 33.1 | 104.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 16 | R | 53.2 | Low | 50.8 | Low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -138.5 | 121.7 | 158.9 | -75 | -170.2 | 171.7 | -179 | -2.9 | 112 | S18 | R16-S18 PolarHBondContact O-N 3.08Å; R16-S18 VanDerWaalsContact O-N 3.1Å |
| 17 | P | 48.2 | Very low | 50.7 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -65.7 | 112.4 | 170.4 | 26.7 | -31.1 | 0 | 0 | 0 | 108.9 | C19 | P17-C19 PolarHBondContact O-N 3.22Š|
| 18 | S | 45.5 | Very low | 50.9 | Low | 104 Ų | 104 | 142 Ų | 142 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | | | trans | -68.5 | 102.6 | 161.3 | -179.4 | 0 | 0 | 0 | 0 | 107 | R16 L20 | R16-S18 PolarHBondContact O-N 3.08Å; R16-S18 VanDerWaalsContact O-N 3.1Å; S18-L20 PolarHBondContact O-N 2.88Å |
| 19 | C | 52 | Low | 51.1 | Low | 129 Ų | 129 | 141.2 Ų | 141.2 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -74.1 | 65 | 176 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | P17 | P17-C19 PolarHBondContact O-N 3.22Š|
| 20 | L | 53.3 | Low | 51 | Low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | | | trans | -126.1 | 67.8 | 171.7 | -150.5 | 171.3 | 0 | 0 | 0 | 108.4 | S18 | S18-L20 PolarHBondContact O-N 2.88Š|
| 21 | A | 51.9 | Low | 50.5 | Low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | | | trans | 175 | 93.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 22 | E | 42.1 | Very low | 50.8 | Low | 178 Ų | 178 | 140.8 Ų | 140.8 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -143.8 | 84.4 | 152.1 | -168.1 | 80.1 | 154.8 | 0 | 0 | 106.1 | | |
| 23 | D | 53.3 | Low | 51 | Low | 169 Ų | 169 | 143.5 Ų | 143.5 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | | | trans | -61.6 | 127.9 | 155.2 | -96.3 | -55.1 | 0 | 0 | 0 | 108 | | |
| 24 | G | 55.5 | Low | 50.7 | Low | 57 Ų | 57 | 141 Ų | 141 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | | | trans | 115.1 | 79.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 25 | R | 49.9 | Very low | 50.8 | Low | 242 Ų | 242 | 140.7 Ų | 140.7 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | trans | 171 | 70.4 | 130.2 | -83.1 | -141.1 | -86.9 | -129.6 | 0.5 | 109.8 | P27 | R25-P27 VanDerWaalsContact O-CD 3.28Å; R25-P27 WeakPolarHBondContact O-CD 3.39Å |
| 26 | H | 46.8 | Very low | 50.5 | Low | 175 Ų | 175 | 142 Ų | 142 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -72.1 | 119 | 152.6 | -68.5 | -68.5 | 0 | 0 | 0 | 107.1 | T28 | H26-T28 VanDerWaalsContact C-N 3.26Å; H26-T28 PolarHBondContact O-N 3.19Å |
| 27 | P | 52.8 | Low | 50.4 | Low | 124 Ų | 124 | 138 Ų | 138 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | | | trans | -63 | 101.7 | 156.3 | 26.5 | -29.5 | 0 | 0 | 0 | 106.5 | R25 | R25-P27 VanDerWaalsContact O-CD 3.28Å; R25-P27 WeakPolarHBondContact O-CD 3.39Å |
| 28 | T | 53.4 | Low | 50.9 | Low | 120 Ų | 120 | 137.7 Ų | 137.7 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | -50.5 | 139.5 | 158.5 | 52.4 | 0 | 0 | 0 | 0 | 108.3 | H26 | H26-T28 VanDerWaalsContact C-N 3.26Å; H26-T28 PolarHBondContact O-N 3.19Å |
| 29 | S | 56 | Low | 50.9 | Low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | 71.9 | 94.5 | 174.1 | 77.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 30 | H | 53.2 | Low | 51.2 | Low | 156 Ų | 156 | 141.4 Ų | 141.4 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | | | trans | -152.3 | 45.8 | 134.1 | -151.5 | -74.5 | 0 | 0 | 0 | 112.1 | D32 | H30-D32 IonicContact CE1-OD2 3.54Å; H30-D32 IonicContact NE2-OD2 3.51Å; H30-D32 PolarHBondContact O-N 2.77Å |
| 31 | F | 45.8 | Very low | 51.3 | Low | 200 Ų | 200 | 143.2 Ų | 143.2 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | | | trans | -83.3 | 72.9 | 149.5 | -90.1 | -81.6 | 0 | 0 | 0 | 107 | L33 | F31-L33 PolarHBondContact O-N 3.45Š|
| 32 | D | 49.8 | Very low | 51.9 | Low | 122 Ų | 122 | 150.2 Ų | 150.2 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | | | trans | -70.8 | 95.9 | 154.6 | -89.8 | -25.9 | 0 | 0 | 0 | 106.2 | H30 C34 | H30-D32 IonicContact CE1-OD2 3.54Å; H30-D32 IonicContact NE2-OD2 3.51Å; H30-D32 PolarHBondContact O-N 2.77Å; D32-C34 PolarHBondContact O-N 2.79Å |
| 33 | L | 52.2 | Low | 52.5 | Low | 151 Ų | 151 | 150.9 Ų | 150.9 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -48.4 | 100.6 | 149.9 | -71.8 | 158.5 | 0 | 0 | 0 | 105.6 | F31 T35 | F31-L33 PolarHBondContact O-N 3.45Å; L33-T35 PolarHBondContact O-N 2.76Å |
| 34 | C | 44.2 | Very low | 52.9 | Low | 127 Ų | 127 | 146.9 Ų | 146.9 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | | | trans | -64.3 | 91.8 | 172.4 | -163.3 | 0 | 0 | 0 | 0 | 106.6 | D32 A36 | D32-C34 PolarHBondContact O-N 2.79Å; C34-A36 PolarHBondContact O-N 3.49Å |
| 35 | T | 48.4 | Very low | 53.6 | Low | 115 Ų | 115 | 149.7 Ų | 149.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | -48.2 | 126.5 | 168.3 | 0.2 | 0 | 0 | 0 | 0 | 107.2 | L33 Q37 | L33-T35 PolarHBondContact O-N 2.76Å; T35-Q37 PolarHBondContact O-N 3.02Å |
| 36 | A | 54.1 | Low | 54.6 | Low | 104 Ų | 104 | 143.8 Ų | 143.8 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -51.9 | 105.3 | 168 | 0 | 0 | 0 | 0 | 0 | 109 | C34 | C34-A36 PolarHBondContact O-N 3.49Š|
| 37 | Q | 50.2 | Low | 55.7 | Low | 155 Ų | 155 | 140.8 Ų | 140.8 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -112.3 | 102.3 | 158.6 | -74 | -138.1 | 0.5 | 0 | 0 | 107.6 | T35 N39 | T35-Q37 PolarHBondContact O-N 3.02Å; Q37-N39 VanDerWaalsContact C-N 3.31Å; Q37-N39 PolarHBondContact O-N 3.16Å |
| 38 | S | 57.7 | Low | 56.4 | Low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -59 | 96.3 | 157.5 | 53.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 39 | N | 45.9 | Very low | 56.8 | Low | 133 Ų | 133 | 139.9 Ų | 139.9 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -131.7 | 108.1 | 160.8 | -98.9 | -45.5 | 0 | 0 | 0 | 109.6 | Q37 | Q37-N39 VanDerWaalsContact C-N 3.31Å; Q37-N39 PolarHBondContact O-N 3.16Å |
| 40 | K | 59 | Low | 56.7 | Low | 177 Ų | 177 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -71.4 | 143.5 | 168.1 | -41.1 | 178 | -169.7 | -178.4 | 0 | 105.2 | | |
| 41 | F | 54.5 | Low | 56.8 | Low | 191 Ų | 191 | 141.9 Ų | 141.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | 75.5 | 85.9 | -176.8 | -55.6 | -89.1 | 0 | 0 | 0 | 114.3 | | |
| 42 | Y | 64.2 | Low | 57.2 | Low | 236 Ų | 236 | 138.8 Ų | 138.8 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | | -174 | 137.1 | 122.3 | -96.8 | -73.8 | 0 | 0 | 0 | 108.2 | | |
| 43 | Q | 55.5 | Low | 57.6 | Low | 191 Ų | 191 | 139.3 Ų | 139.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.5 | -178.6 | -156.3 | 175 | 42.7 | 0 | 0 | 108.7 | | |
| 44 | A | 61.2 | Low | 58.1 | Low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 45 | P | 71.9 | Confident | 59.2 | Low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 144.7 | 176.1 | 24.7 | -31.1 | 0 | 0 | 0 | 110.9 | | |
| 46 | P | 69 | Low | 60 | Low | 117 Ų | 117 | 138.7 Ų | 138.7 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 142.1 | 179.9 | 27.2 | -33.1 | 0 | 0 | 0 | 110.6 | | |
| 47 | P | 70.3 | Confident | 60.4 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62 | 148.1 | 174 | 27.2 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 48 | P | 68.1 | Low | 61.1 | Low | 112 Ų | 112 | 139.6 Ų | 139.6 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 141.5 | 174.9 | 26.2 | -33.2 | 0 | 0 | 0 | 109.9 | L50 | P48-L50 PolarHBondContact O-N 3.13Å; P48-L50 VanDerWaalsContact O-N 3.14Å |
| 49 | P | 60.9 | Low | 61.3 | Low | 114 Ų | 114 | 142.2 Ų | 142.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 119.7 | 176.5 | 26.4 | -31.9 | 0 | 0 | 0 | 108.8 | Q51 | P49-Q51 VanDerWaalsContact C-N 3.35Å; P49-Q51 PolarHBondContact O-N 2.99Å |
| 50 | L | 55.2 | Low | 62.1 | Low | 152 Ų | 152 | 140.9 Ų | 140.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | | | trans | -60 | 99.6 | 166 | -72.6 | 169.2 | 0 | 0 | 0 | 107.4 | P48 M52 | P48-L50 PolarHBondContact O-N 3.13Å; P48-L50 VanDerWaalsContact O-N 3.14Å; L50-M52 PolarHBondContact O-N 3.47Å |
| 51 | Q | 55.6 | Low | 62.1 | Low | 159 Ų | 159 | 138.4 Ų | 138.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 86.9 | 169.7 | -67.1 | -161.6 | 25 | 0 | 0 | 108 | P49 T53 | P49-Q51 VanDerWaalsContact C-N 3.35Å; P49-Q51 PolarHBondContact O-N 2.99Å; Q51-T53 VanDerWaalsContact C-N 3.34Å; Q51-T53 PolarHBondContact O-N 2.87Å |
| 52 | M | 53.8 | Low | 62.1 | Low | 134 Ų | 134 | 138 Ų | 138 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | trans | -77.4 | 93.4 | 160.4 | -63.6 | -67.7 | 89.2 | 0 | 0 | 106.5 | L50 L54 | L50-M52 PolarHBondContact O-N 3.47Å; M52-L54 HydrophobicContact CB-CD1 4.06Å; M52-L54 PolarHBondContact O-N 2.75Å |
| 53 | T | 56.8 | Low | 61.3 | Low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -64.6 | 83 | 165.3 | 15.6 | 0 | 0 | 0 | 0 | 108.5 | Q51 | Q51-T53 VanDerWaalsContact C-N 3.34Å; Q51-T53 PolarHBondContact O-N 2.87Å |
| 54 | L | 63.8 | Low | 61.2 | Low | 144 Ų | 144 | 130.8 Ų | 130.8 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | | | trans | -84.7 | 128.2 | 165.1 | -78.2 | 138.2 | 0 | 0 | 0 | 107.9 | M52 | M52-L54 HydrophobicContact CB-CD1 4.06Å; M52-L54 PolarHBondContact O-N 2.75Å |
| 55 | P | 67.9 | Low | 60.8 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | | | trans | -58.2 | 139.3 | 169.7 | -18.6 | 29.6 | 0 | 0 | 0 | 110 | L57 | P55-L57 PolarHBondContact O-N 3.22Š|
| 56 | P | 63.8 | Low | 60.3 | Low | 131 Ų | 131 | 137.1 Ų | 137.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | | | trans | -67.2 | 110.3 | 176.6 | 25.7 | -30 | 0 | 0 | 0 | 109.3 | | |
| 57 | L | 63.8 | Low | 59.6 | Low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 135.6 | 165.5 | -75.8 | 163.3 | 0 | 0 | 0 | 108.6 | P55 L59 | P55-L57 PolarHBondContact O-N 3.22Å; L57-L59 PolarHBondContact O-N 3.2Å |
| 58 | P | 64.8 | Low | 58.8 | Low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 133 | 179 | 25 | -31.4 | 0 | 0 | 0 | 110.9 | | |
| 59 | L | 62.3 | Low | 57.9 | Low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 134 | 173.6 | -71.1 | 155.3 | 0 | 0 | 0 | 110 | L57 | L57-L59 PolarHBondContact O-N 3.2Š|
| 60 | P | 61 | Low | 56.9 | Low | 105 Ų | 105 | 140.7 Ų | 140.7 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 145.7 | 170.6 | 28.4 | -32.3 | 0 | 0 | 0 | 110.4 | Q62 | P60-Q62 PolarHBondContact O-N 3.44Š|
| 61 | P | 59.8 | Low | 56.6 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 129.5 | -177.2 | 23.9 | -32.3 | 0 | 0 | 0 | 111.4 | N63 | P61-N63 PolarHBondContact O-N 3.15Š|
| 62 | Q | 53.6 | Low | 56 | Low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -61.9 | 96.5 | 169.4 | -69.7 | -81.6 | -33.2 | 0 | 0 | 108.9 | P60 | P60-Q62 PolarHBondContact O-N 3.44Š|
| 63 | N | 49.2 | Very low | 55.6 | Low | 128 Ų | 128 | 147.9 Ų | 147.9 | 68% | 0.684 | 80% | 0.799 | S | S | * | * | | | trans | -83.1 | 114.7 | 170.4 | -163.9 | -22.9 | 0 | 0 | 0 | 108.5 | P61 L65 | P61-N63 PolarHBondContact O-N 3.15Å; N63-L65 VanDerWaalsContact C-N 3.25Å; N63-L65 PolarHBondContact O-N 3.02Å |
| 64 | N | 52.4 | Low | 54.6 | Low | 147 Ų | 147 | 148.3 Ų | 148.3 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -63.7 | 83.1 | 172.2 | -81 | -24.2 | 0 | 0 | 0 | 110.3 | K66 | N64-K66 PolarHBondContact O-N 3.28Å; N64-K66 VanDerWaalsContact O-N 3.14Å |
| 65 | L | 52.8 | Low | 53.7 | Low | 149 Ų | 149 | 144.9 Ų | 144.9 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | -76.8 | 99.6 | 168.7 | -64.7 | 177.8 | 0 | 0 | 0 | 108.7 | N63 | N63-L65 VanDerWaalsContact C-N 3.25Å; N63-L65 PolarHBondContact O-N 3.02Å |
| 66 | K | 61.5 | Low | 52.4 | Low | 186 Ų | 186 | 148 Ų | 148 | 81% | 0.809 | 81% | 0.806 | S | S | * | * | | | trans | -48 | 134.7 | 162 | -67.8 | 155.1 | 178.9 | 171.9 | 0 | 108.8 | N64 M68 | N64-K66 PolarHBondContact O-N 3.28Å; N64-K66 VanDerWaalsContact O-N 3.14Å; K66-M68 PolarHBondContact O-N 3.12Å |
| 67 | P | 54.3 | Low | 51 | Low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -65.6 | 112.2 | 175.7 | 25.1 | -30.6 | 0 | 0 | 0 | 109.4 | | |
| 68 | M | 53.3 | Low | 49.6 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | | | trans | -69 | 125.7 | 171.7 | -84.7 | -70.7 | -68.8 | 0 | 0 | 109.7 | K66 C70 | K66-M68 PolarHBondContact O-N 3.12Å; M68-C70 PolarHBondContact O-N 3Å |
| 69 | P | 48.4 | Very low | 48.6 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | | | trans | -68.3 | 123.2 | 170.3 | 27.3 | -31.1 | 0 | 0 | 0 | 109.4 | Q71 | P69-Q71 PolarHBondContact O-N 3.09Š|
| 70 | C | 40.2 | Very low | 47.3 | Very low | 127 Ų | 127 | 147.5 Ų | 147.5 | 86% | 0.858 | 80% | 0.796 | S | S | * | * | | | trans | -66.2 | 98.5 | 171.7 | -68.7 | 0 | 0 | 0 | 0 | 109.4 | M68 R72 | M68-C70 PolarHBondContact O-N 3Å; C70-R72 PolarHBondContact O-N 3.01Å; C70-R72 VanDerWaalsContact O-N 3.13Å |
| 71 | Q | 50.3 | Low | 46.7 | Very low | 186 Ų | 186 | 148 Ų | 148 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -71.2 | 101.3 | 169.4 | -173.4 | 172.3 | 8.3 | 0 | 0 | 108.8 | P69 Q73 | P69-Q71 PolarHBondContact O-N 3.09Å; Q71-Q73 PolarHBondContact O-N 2.84Å |
| 72 | R | 42.7 | Very low | 45.6 | Very low | 220 Ų | 220 | 150 Ų | 150 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -68.4 | 118.8 | 167.2 | -69.7 | -162.4 | 121.3 | 159.4 | 2.8 | 108.2 | C70 N74 | C70-R72 PolarHBondContact O-N 3.01Å; C70-R72 VanDerWaalsContact O-N 3.13Å; R72-N74 PolarHBondContact O-N 3Å; R72-N74 VanDerWaalsContact O-N 3.1Å |
| 73 | Q | 44.1 | Very low | 44.8 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -64.7 | 107.4 | 163.7 | -78.4 | -177.7 | 11.2 | 0 | 0 | 108.3 | Q71 G75 | Q71-Q73 PolarHBondContact O-N 2.84Å; Q73-G75 PolarHBondContact O-N 2.92Å |
| 74 | N | 36.7 | Very low | 44.2 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | | | trans | -75.1 | 92.1 | 161 | -78.2 | 0.9 | 0 | 0 | 0 | 107.3 | R72 L76 | R72-N74 PolarHBondContact O-N 3Å; R72-N74 VanDerWaalsContact O-N 3.1Å; N74-L76 PolarHBondContact O-N 3.19Å; N74-L76 VanDerWaalsContact O-N 3.11Å |
| 75 | G | 43.9 | Very low | 43.3 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -71.9 | 93.3 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q73 S77 | Q73-G75 PolarHBondContact O-N 2.92Å; G75-S77 PolarHBondContact O-N 2.61Å |
| 76 | L | 41.5 | Very low | 42.9 | Very low | 170 Ų | 170 | 143.7 Ų | 143.7 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | | | trans | -73.4 | 96.3 | 160.9 | -92.8 | 137.4 | 0 | 0 | 0 | 107.5 | N74 | N74-L76 PolarHBondContact O-N 3.19Å; N74-L76 VanDerWaalsContact O-N 3.11Å |
| 77 | S | 35.2 | Very low | 41.7 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -96.4 | 109.2 | 164 | 57.8 | 0 | 0 | 0 | 0 | 108.9 | G75 | G75-S77 PolarHBondContact O-N 2.61Š|
| 78 | E | 32.9 | Very low | 40.8 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -63.1 | 143.9 | 172.6 | -171.1 | -176.6 | 131.1 | 0 | 0 | 111.6 | | |
| 79 | P | 44 | Very low | 40.1 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | | | trans | -85.5 | 125.2 | -178.9 | 32.3 | -31.1 | 0 | 0 | 0 | 112 | | |
| 80 | H | 35.2 | Very low | 39.6 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | -121.1 | 119.1 | 166.9 | -168.4 | 73.3 | 0 | 0 | 0 | 110.4 | | |
| 81 | P | 49 | Very low | 39.3 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | | | trans | -98.4 | 121.7 | 175.8 | 33.7 | -24.1 | 0 | 0 | 0 | 109.9 | | |
| 82 | Q | 37.2 | Very low | 39.2 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -140.4 | 130 | 154.6 | -71.4 | -162.6 | 0.4 | 0 | 0 | 111.3 | | |
| 83 | A | 36.7 | Very low | 39.1 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -67.2 | 162.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 84 | V | 36.1 | Very low | 39 | Very low | 154 Ų | 154 | 139 Ų | 139 | 93% | 0.933 | 79% | 0.788 | S | S | * | * | | | trans | 154.1 | 132.9 | 138.2 | 165.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 85 | G | 33.5 | Very low | 39.8 | Very low | 61 Ų | 61 | 137.3 Ų | 137.3 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | 123 | 69.1 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 86 | I | 44.9 | Very low | 40.2 | Very low | 163 Ų | 163 | 144.3 Ų | 144.3 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | | 18.6 | 119.3 | 129.6 | -39 | 173.5 | 0 | 0 | 0 | 116.3 | | |
| 87 | T | 36 | Very low | 40.7 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -167 | 119.8 | 132.5 | 31.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 88 | N | 34.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 69% | 0.69 | 80% | 0.799 | S | S | * | * | | | trans | 73.4 | 104.3 | 138.8 | -53.6 | -25.6 | 0 | 0 | 0 | 121.2 | | |
| 89 | N | 39.7 | Very low | 42.7 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -75.1 | 123.1 | 152.6 | -108.6 | -62.7 | 0 | 0 | 0 | 109.8 | | |
| 90 | E | 36.9 | Very low | 42.9 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 77% | 0.766 | 80% | 0.795 | S | S | * | * | | | trans | -153.5 | 97.5 | 155.6 | 44.5 | -164.1 | 117 | 0 | 0 | 112.3 | | |
| 91 | K | 33.6 | Very low | 43.8 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | 47.8 | 126.1 | 145.8 | -63.3 | 174 | -177.9 | 172.9 | 0 | 120.7 | | |
| 92 | P | 48.3 | Very low | 43.8 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | | | trans | -83 | 118.6 | 158.2 | 32.3 | -24.8 | 0 | 0 | 0 | 109.4 | | |
| 93 | E | 39.9 | Very low | 44.8 | Very low | 170 Ų | 170 | 151.2 Ų | 151.2 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -104.9 | 118.4 | 173.7 | -130.4 | -84 | 117 | 0 | 0 | 109.2 | | |
| 94 | D | 42.8 | Very low | 45.7 | Very low | 140 Ų | 140 | 152.6 Ų | 152.6 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | | | trans | -61.4 | 132.6 | -180 | -83 | -80.4 | 0 | 0 | 0 | 111.7 | | |
| 95 | S | 52.7 | Low | 46.8 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -137.8 | 98.6 | 164.9 | -79.8 | 0 | 0 | 0 | 0 | 110.7 | K97 | S95-K97 PolarHBondContact O-N 3.43Š|
| 96 | K | 52.8 | Low | 48 | Very low | 219 Ų | 219 | 157.4 Ų | 157.4 | 95% | 0.952 | 81% | 0.81 | S | S | * | * | | | trans | -48.3 | 102.5 | 169.6 | -72.4 | 175.4 | 178.3 | 168 | 0 | 110.9 | | |
| 97 | K | 52.5 | Low | 49 | Very low | 193 Ų | 193 | 161.5 Ų | 161.5 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | | | trans | -125.3 | 96.9 | 156 | -154.6 | 167.7 | -170.7 | 168.5 | 0 | 108.7 | S95 K99 | S95-K97 PolarHBondContact O-N 3.43Å; K97-K99 PolarHBondContact O-N 3.15Å |
| 98 | K | 55.3 | Low | 50.3 | Low | 205 Ų | 205 | 158.9 Ų | 158.9 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -59.8 | 87.7 | 169.5 | -168.9 | -177 | -174.9 | 179.9 | 0 | 108.3 | | |
| 99 | K | 55.3 | Low | 52 | Low | 187 Ų | 187 | 160.7 Ų | 160.7 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -104.5 | 109.6 | 169.1 | -158.9 | -177.2 | -174.1 | -176.6 | 0 | 106.4 | K97 | K97-K99 PolarHBondContact O-N 3.15Š|
| 100 | N | 48.7 | Very low | 53.2 | Low | 133 Ų | 133 | 157 Ų | 157 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -43.9 | 125.7 | 173 | -66.6 | -28.5 | 0 | 0 | 0 | 109.3 | G102 | N100-G102 PolarHBondContact O-N 3.01Š|
| 101 | P | 52.7 | Low | 54.4 | Low | 134 Ų | 134 | 155.4 Ų | 155.4 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -74.3 | 73.2 | 173.5 | 31.1 | -33.1 | 0 | 0 | 0 | 108.3 | R103 | P101-R103 PolarHBondContact O-N 2.89Š|
| 102 | G | 50.1 | Low | 55.7 | Low | 67 Ų | 67 | 148.4 Ų | 148.4 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | | | trans | -63.3 | 105.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | N100 S104 | N100-G102 PolarHBondContact O-N 3.01Å; G102-S104 PolarHBondContact O-N 2.71Å |
| 103 | R | 58.5 | Low | 56.1 | Low | 243 Ų | 243 | 144.2 Ų | 144.2 | 92% | 0.917 | 76% | 0.755 | S | S | * | * | | | trans | -2.2 | 85.2 | 165.9 | -77.5 | 175.8 | 167 | 177.8 | -3.1 | 114.4 | P101 G105 | P101-R103 PolarHBondContact O-N 2.89Å; R103-G105 PolarHBondContact O-N 3.31Å |
| 104 | S | 55.3 | Low | 56.9 | Low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | | | trans | -66.1 | 112.6 | 151.8 | 174.7 | 0 | 0 | 0 | 0 | 106 | G102 | G102-S104 PolarHBondContact O-N 2.71Š|
| 105 | G | 58.8 | Low | 57.5 | Low | 54 Ų | 54 | 141 Ų | 141 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | | | trans | -51 | 142.2 | -166 | 0 | 0 | 0 | 0 | 0 | 113.9 | R103 R107 | R103-G105 PolarHBondContact O-N 3.31Å; G105-R107 PolarHBondContact O-N 2.86Å |
| 106 | R | 59.1 | Low | 57.6 | Low | 261 Ų | 261 | 140.9 Ų | 140.9 | 99% | 0.985 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -57.8 | 24.1 | 172.3 | -89.7 | -177.1 | 170.8 | -121.1 | 3.3 | 115.4 | | |
| 107 | R | 64.6 | Low | 57.8 | Low | 250 Ų | 250 | 133 Ų | 133 | 94% | 0.943 | 71% | 0.711 | S | S | * | * | | | trans | -137.6 | 83.6 | 171.4 | -83.7 | -172.6 | -96.3 | -153.9 | -4.9 | 108.5 | G105 | G105-R107 PolarHBondContact O-N 2.86Š|
| 108 | G | 64.5 | Low | 58.2 | Low | 65 Ų | 65 | 127.2 Ų | 127.2 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -171.3 | 137.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 109 | R | 69.4 | Low | 58.2 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 63% | 0.63 | 70% | 0.698 | S | S | * | * | | | trans | -44.2 | 137.8 | 171 | -156.9 | -173.4 | 167.4 | 170.4 | -7.7 | 108.9 | S111 T113 T114 | R109-S111 PolarHBondContact O-N 3.15Å; R109-T113 WeakPolarHBondContact CD-OG1 3.27Å; R109-T113 WeakPolarHBondContact CG-OG1 3.43Å; R109-T113 PolarHBondContact NE-OG1 2.74Å; R109-T113 PolarHBondContact NH2-O 2.98Å; R109-T114 VanDerWaalsContact NH1-CG2 3.31Å |
| 110 | P | 66 | Low | 58.3 | Low | 92 Ų | 92 | 129 Ų | 129 | 60% | 0.597 | 70% | 0.704 | S | S | * | * | | | trans | -50.8 | 130.5 | -177.9 | -13.9 | 15.4 | 0 | 0 | 0 | 110.2 | G112 T113 | P110-G112 PolarHBondContact O-N 3.36Å; P110-G112 VanDerWaalsContact O-N 3.08Å; P110-T113 HydrophobicContact CB-CG2 3.79Å; P110-T113 HydrophobicContact CG-CG2 3.76Å; P110-T113 WeakPolarHBondContact O-CG2 3.48Å; P110-T113 PolarHBondContact O-N 3.13Å; P110-T113 VanDerWaalsContact O-N 3.14Å; P110-T113 PolarHBondContact O-OG1 3.49Å |
| 111 | S | 60.8 | Low | 58.8 | Low | 130 Ų | 130 | 126 Ų | 126 | 91% | 0.909 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 116 | 177.5 | 43.9 | 0 | 0 | 0 | 0 | 108.8 | R109 | R109-S111 PolarHBondContact O-N 3.15Š|
| 112 | G | 61 | Low | 59 | Low | 45 Ų | 45 | 125 Ų | 125 | 46% | 0.464 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 115.6 | -15.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P110 T114 K115 S116 | P110-G112 PolarHBondContact O-N 3.36Å; P110-G112 VanDerWaalsContact O-N 3.08Å; G112-T114 PolarHBondContact O-N 2.85Å; G112-K115 PolarHBondContact O-N 2.87Å; G112-K115 VanDerWaalsContact O-N 3.17Å; G112-S116 PolarHBondContact O-N 2.9Å |
| 113 | T | 57.3 | Low | 59.1 | Low | 42 Ų | 42 | 127.3 Ų | 127.3 | 26% | 0.258 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.6 | -6.7 | -175.5 | 49.6 | 0 | 0 | 0 | 0 | 116.3 | R109 P110 | R109-T113 WeakPolarHBondContact CD-OG1 3.27Å; R109-T113 WeakPolarHBondContact CG-OG1 3.43Å; R109-T113 PolarHBondContact NE-OG1 2.74Å; R109-T113 PolarHBondContact NH2-O 2.98Å; P110-T113 HydrophobicContact CB-CG2 3.79Å; P110-T113 HydrophobicContact CG-CG2 3.76Å; P110-T113 WeakPolarHBondContact O-CG2 3.48Å; P110-T113 PolarHBondContact O-N 3.13Å; P110-T113 VanDerWaalsContact O-N 3.14Å; P110-T113 PolarHBondContact O-OG1 3.49Å |
| 114 | T | 56.1 | Low | 59.4 | Low | 45 Ų | 45 | 118.5 Ų | 118.5 | 28% | 0.276 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | -16.5 | 175.4 | 13.2 | 0 | 0 | 0 | 0 | 113.8 | R109 G112 T121 | R109-T114 VanDerWaalsContact NH1-CG2 3.31Å; G112-T114 PolarHBondContact O-N 2.85Å; T114-T121 VanDerWaalsContact CB-CG2 3.42Å; T114-T121 HydrophobicContact CG2-CG2 3.08Å |
| 115 | K | 56.5 | Low | 59.8 | Low | 196 Ų | 196 | 120 Ų | 120 | 85% | 0.852 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -31.4 | 175.6 | -83.8 | -175.2 | 171.6 | -175.9 | 0 | 112.5 | G112 A117 | G112-K115 PolarHBondContact O-N 2.87Å; G112-K115 VanDerWaalsContact O-N 3.17Å; K115-A117 VanDerWaalsContact C-N 3.34Å; K115-A117 PolarHBondContact O-N 3.27Å |
| 116 | S | 55.3 | Low | 60.1 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 74% | 0.741 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -17.9 | -175.7 | 55.4 | 0 | 0 | 0 | 0 | 114.7 | G112 | G112-S116 PolarHBondContact O-N 2.9Š|
| 117 | A | 57 | Low | 60 | Low | 55 Ų | 55 | 117.9 Ų | 117.9 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102 | 11.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | K115 Y119 | K115-A117 VanDerWaalsContact C-N 3.34Å; K115-A117 PolarHBondContact O-N 3.27Å; A117-Y119 HydrophobicContact CB-CD2 3.75Å; A117-Y119 HydrophobicContact CB-CE2 4.25Å; A117-Y119 WeakPolarHBondContact O-CD2 3.46Å; A117-Y119 PolarHBondContact O-N 2.7Å |
| 118 | G | 60.9 | Low | 59.8 | Low | 71 Ų | 71 | 108.2 Ų | 108.2 | 73% | 0.732 | 64% | 0.635 | S | S | * | * | | | trans | 65.4 | -5.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | R120 | G118-R120 PolarHBondContact O-N 3.08Š|
| 119 | Y | 54.9 | Low | 59.6 | Low | 185 Ų | 185 | 107.3 Ų | 107.3 | 73% | 0.725 | 62% | 0.617 | S | S | * | * | | | trans | -67 | 121.4 | 176.4 | -73.8 | -80.4 | 0 | 0 | 0 | 110.1 | A117 T121 | A117-Y119 HydrophobicContact CB-CD2 3.75Å; A117-Y119 HydrophobicContact CB-CE2 4.25Å; A117-Y119 WeakPolarHBondContact O-CD2 3.46Å; A117-Y119 PolarHBondContact O-N 2.7Å; Y119-T121 PolarHBondContact O-N 3.21Å |
| 120 | R | 57.8 | Low | 59 | Low | 245 Ų | 245 | 102.7 Ų | 102.7 | 93% | 0.925 | 61% | 0.607 | S | S | * | * | | | trans | -60.6 | 90.2 | 157.6 | -69.5 | -172.7 | 165.4 | -147.8 | -3.6 | 106.8 | G118 S122 | G118-R120 PolarHBondContact O-N 3.08Å; R120-S122 PolarHBondContact O-N 2.85Å |
| 121 | T | 57.7 | Low | 58.5 | Low | 68 Ų | 68 | 107.8 Ų | 107.8 | 42% | 0.417 | 62% | 0.62 | S | S | . | * | | | trans | -50.5 | 124.2 | 153.1 | 49.7 | 0 | 0 | 0 | 0 | 103.9 | T114 Y119 T123 | T114-T121 VanDerWaalsContact CB-CG2 3.42Å; T114-T121 HydrophobicContact CG2-CG2 3.08Å; Y119-T121 PolarHBondContact O-N 3.21Å; T121-T123 PolarHBondContact O-N 3.14Å |
| 122 | S | 56.8 | Low | 58.3 | Low | 114 Ų | 114 | 105.8 Ų | 105.8 | 80% | 0.797 | 61% | 0.611 | S | S | * | * | | | trans | -52.1 | 100 | 160.5 | 47.9 | 0 | 0 | 0 | 0 | 103.8 | R120 G124 | R120-S122 PolarHBondContact O-N 2.85Å; S122-G124 PolarHBondContact O-N 3.14Å |
| 123 | T | 53.4 | Low | 58.1 | Low | 115 Ų | 115 | 107.5 Ų | 107.5 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | | | trans | -60.2 | 102 | 168.4 | 46.8 | 0 | 0 | 0 | 0 | 99.5 | T121 | T121-T123 PolarHBondContact O-N 3.14Š|
| 124 | G | 64.1 | Low | 58.1 | Low | 58 Ų | 58 | 108.6 Ų | 108.6 | 60% | 0.598 | 64% | 0.641 | S | S | * | * | | | trans | -46.2 | 162.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.2 | S122 P126 | S122-G124 PolarHBondContact O-N 3.14Å; G124-P126 VanDerWaalsContact O-N 3.08Å |
| 125 | R | 63.3 | Low | 57.9 | Low | 156 Ų | 156 | 111.9 Ų | 111.9 | 59% | 0.589 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -20.7 | 113.2 | 178.8 | -74.8 | -175.8 | -178.3 | -117.3 | 2.4 | 112.3 | L127 T129 | R125-L127 PolarHBondContact O-N 3.03Å; R125-T129 WeakPolarHBondContact CB-OG1 3.28Å |
| 126 | P | 65.6 | Low | 58.1 | Low | 81 Ų | 81 | 112.1 Ų | 112.1 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | | | trans | -47.6 | 142.1 | -170.4 | -19.9 | 19.8 | 0 | 0 | 0 | 111.1 | G124 G128 T129 | G124-P126 VanDerWaalsContact O-N 3.08Å; P126-G128 PolarHBondContact O-N 3.22Å; P126-T129 HydrophobicContact CB-CG2 3.68Å; P126-T129 WeakPolarHBondContact CD-OG1 3.3Å; P126-T129 HydrophobicContact CG-CG2 3.67Å; P126-T129 WeakPolarHBondContact O-CB 3.37Å; P126-T129 WeakPolarHBondContact O-CG2 3.15Å; P126-T129 PolarHBondContact O-N 2.83Å; P126-T129 PolarHBondContact O-OG1 3.33Å |
| 127 | L | 56.6 | Low | 58.5 | Low | 190 Ų | 190 | 110.8 Ų | 110.8 | 100% | 0.995 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | 112.6 | 179.2 | -75.1 | 164.2 | 0 | 0 | 0 | 109.3 | R125 | R125-L127 PolarHBondContact O-N 3.03Š|
| 128 | G | 61.4 | Low | 58.5 | Low | 46 Ų | 46 | 112.7 Ų | 112.7 | 47% | 0.474 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 110 | -17.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | P126 T130 K131 A132 | P126-G128 PolarHBondContact O-N 3.22Å; G128-T130 VanDerWaalsContact C-N 3.34Å; G128-T130 PolarHBondContact O-N 2.74Å; G128-K131 PolarHBondContact O-N 2.95Å; G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.15Å; G128-A132 PolarHBondContact O-N 3.47Å |
| 129 | T | 59.5 | Low | 58.6 | Low | 47 Ų | 47 | 115.5 Ų | 115.5 | 29% | 0.288 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -74.2 | -16.8 | -174.2 | 54.8 | 0 | 0 | 0 | 0 | 115 | R125 P126 K131 | R125-T129 WeakPolarHBondContact CB-OG1 3.28Å; P126-T129 HydrophobicContact CB-CG2 3.68Å; P126-T129 WeakPolarHBondContact CD-OG1 3.3Å; P126-T129 HydrophobicContact CG-CG2 3.67Å; P126-T129 WeakPolarHBondContact O-CB 3.37Å; P126-T129 WeakPolarHBondContact O-CG2 3.15Å; P126-T129 PolarHBondContact O-N 2.83Å; P126-T129 PolarHBondContact O-OG1 3.33Å; T129-K131 VanDerWaalsContact C-N 3.34Å |
| 130 | T | 57.3 | Low | 59.3 | Low | 69 Ų | 69 | 109.2 Ų | 109.2 | 42% | 0.423 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.6 | -22 | 172.7 | -4.5 | 0 | 0 | 0 | 0 | 113.2 | G128 T137 | G128-T130 VanDerWaalsContact C-N 3.34Å; G128-T130 PolarHBondContact O-N 2.74Å; T130-T137 HydrophobicContact CG2-CG2 3.65Å |
| 131 | K | 54.3 | Low | 59.8 | Low | 199 Ų | 199 | 105.5 Ų | 105.5 | 87% | 0.865 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -107.5 | -30.5 | -175.2 | -138.6 | 177.2 | -176.4 | -176.7 | 0 | 112.4 | G128 T129 | G128-K131 PolarHBondContact O-N 2.95Å; T129-K131 VanDerWaalsContact C-N 3.34Å |
| 132 | A | 57.1 | Low | 60.5 | Low | 88 Ų | 88 | 106.4 Ų | 106.4 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -83.7 | -22.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | G128 | G128-A132 VanDerWaalsContact O-CB 3.3Å; G128-A132 WeakPolarHBondContact O-CB 3.15Å; G128-A132 PolarHBondContact O-N 3.47Å |
| 133 | A | 56.8 | Low | 60.7 | Low | 81 Ų | 81 | 110 Ų | 110 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 15 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | F135 | A133-F135 PolarHBondContact O-N 3.04Š|
| 134 | G | 58.4 | Low | 61.1 | Low | 66 Ų | 66 | 106.7 Ų | 106.7 | 68% | 0.68 | 64% | 0.638 | S | S | * | * | | | trans | 61.6 | 11.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K136 | G134-K136 PolarHBondContact O-N 3.17Š|
| 135 | F | 51.2 | Low | 61 | Low | 113 Ų | 113 | 106 Ų | 106 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | | | trans | -62.6 | 105.9 | 174.9 | -167.3 | -97.3 | 0 | 0 | 0 | 107.3 | A133 T137 | A133-F135 PolarHBondContact O-N 3.04Å; F135-T137 HydrophobicContact CD1-CG2 3.93Å; F135-T137 HydrophobicContact CE1-CG2 4.32Å; F135-T137 PolarHBondContact O-N 2.99Å |
| 136 | K | 61.4 | Low | 60.7 | Low | 201 Ų | 201 | 101.8 Ų | 101.8 | 87% | 0.874 | 61% | 0.614 | S | S | * | * | | | trans | -66.5 | 81.5 | 174 | -63.4 | -167.7 | -177.5 | -176.1 | 0 | 107.6 | G134 S138 | G134-K136 PolarHBondContact O-N 3.17Å; K136-S138 PolarHBondContact O-N 2.94Å; K136-S138 VanDerWaalsContact O-N 3.14Å |
| 137 | T | 62.6 | Low | 60.2 | Low | 79 Ų | 79 | 106.6 Ų | 106.6 | 49% | 0.485 | 63% | 0.627 | S | S | . | * | | | trans | -56.6 | 121.5 | 150.6 | 55 | 0 | 0 | 0 | 0 | 104 | T130 F135 | T130-T137 HydrophobicContact CG2-CG2 3.65Å; F135-T137 HydrophobicContact CD1-CG2 3.93Å; F135-T137 HydrophobicContact CE1-CG2 4.32Å; F135-T137 PolarHBondContact O-N 2.99Å |
| 138 | S | 57.2 | Low | 60.4 | Low | 95 Ų | 95 | 101.8 Ų | 101.8 | 66% | 0.664 | 61% | 0.614 | S | S | * | * | | | trans | -40.7 | 134.6 | 172.9 | 50.7 | 0 | 0 | 0 | 0 | 107.9 | K136 G140 | K136-S138 PolarHBondContact O-N 2.94Å; K136-S138 VanDerWaalsContact O-N 3.14Å; S138-G140 VanDerWaalsContact C-N 3.28Å; S138-G140 WeakPolarHBondContact O-CA 3.42Å; S138-G140 PolarHBondContact O-N 3.47Å |
| 139 | P | 63.3 | Low | 60.5 | Low | 129 Ų | 129 | 102.8 Ų | 102.8 | 84% | 0.838 | 62% | 0.618 | S | S | * | * | | | trans | -54.7 | 106.3 | 176.9 | 21.8 | -29 | 0 | 0 | 0 | 104.6 | | |
| 140 | G | 70.3 | Confident | 60.7 | Low | 54 Ų | 54 | 103.7 Ų | 103.7 | 56% | 0.557 | 64% | 0.637 | S | S | * | * | | | trans | -55.1 | 162.7 | -167 | 0 | 0 | 0 | 0 | 0 | 109.5 | S138 | S138-G140 VanDerWaalsContact C-N 3.28Å; S138-G140 WeakPolarHBondContact O-CA 3.42Å; S138-G140 PolarHBondContact O-N 3.47Å |
| 141 | R | 68.3 | Low | 60.9 | Low | 167 Ų | 167 | 109 Ų | 109 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -45.3 | 120.7 | 177.3 | -172.6 | 166.9 | -173.3 | -92.2 | -0.5 | 109.3 | L143 T145 T146 | R141-L143 PolarHBondContact O-N 2.94Å; R141-T145 VanDerWaalsContact CG-OG1 3.27Å; R141-T145 WeakPolarHBondContact CG-OG1 3.34Å; R141-T145 PolarHBondContact NE-OG1 3.39Å; R141-T145 PolarHBondContact NH1-OG1 3.12Å; R141-T145 VanDerWaalsContact NH1-OG1 3.15Å; R141-T145 PolarHBondContact NH2-OG1 2.84Å; R141-T146 PolarHBondContact NH1-OG1 2.95Å |
| 142 | P | 72.4 | Confident | 61.6 | Low | 87 Ų | 87 | 109.2 Ų | 109.2 | 57% | 0.565 | 65% | 0.652 | S | S | * | * | | | trans | -56.1 | 134.7 | -170.2 | -13.2 | 15.4 | 0 | 0 | 0 | 109.7 | G144 T145 | P142-G144 PolarHBondContact O-N 2.8Å; P142-T145 HydrophobicContact CB-CG2 3.69Å; P142-T145 HydrophobicContact CG-CG2 3.56Å; P142-T145 WeakPolarHBondContact O-CG2 3.45Å; P142-T145 PolarHBondContact O-N 2.97Å; P142-T145 VanDerWaalsContact O-N 3.12Å; P142-T145 PolarHBondContact O-OG1 2.93Å; P142-T145 VanDerWaalsContact O-OG1 3.13Å |
| 143 | L | 59.9 | Low | 62.1 | Low | 189 Ų | 189 | 109.9 Ų | 109.9 | 99% | 0.99 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | 113.4 | 176.8 | -81.1 | 157.7 | 0 | 0 | 0 | 108 | R141 | R141-L143 PolarHBondContact O-N 2.94Š|
| 144 | G | 62.9 | Low | 62.6 | Low | 45 Ų | 45 | 110.8 Ų | 110.8 | 46% | 0.464 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 105.7 | -3.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | P142 T146 K147 A148 | P142-G144 PolarHBondContact O-N 2.8Å; G144-T146 PolarHBondContact O-N 2.99Å; G144-T146 VanDerWaalsContact O-N 3.09Å; G144-K147 PolarHBondContact O-N 3.08Å; G144-A148 PolarHBondContact O-N 2.72Å; G144-A148 VanDerWaalsContact O-N 3.08Å |
| 145 | T | 60.3 | Low | 63.2 | Low | 43 Ų | 43 | 113.6 Ų | 113.6 | 26% | 0.264 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.2 | -21.7 | -179.6 | 48.1 | 0 | 0 | 0 | 0 | 114.8 | R141 P142 | R141-T145 VanDerWaalsContact CG-OG1 3.27Å; R141-T145 WeakPolarHBondContact CG-OG1 3.34Å; R141-T145 PolarHBondContact NE-OG1 3.39Å; R141-T145 PolarHBondContact NH1-OG1 3.12Å; R141-T145 VanDerWaalsContact NH1-OG1 3.15Å; R141-T145 PolarHBondContact NH2-OG1 2.84Å; P142-T145 HydrophobicContact CB-CG2 3.69Å; P142-T145 HydrophobicContact CG-CG2 3.56Å; P142-T145 WeakPolarHBondContact O-CG2 3.45Å; P142-T145 PolarHBondContact O-N 2.97Å; P142-T145 VanDerWaalsContact O-N 3.12Å; P142-T145 PolarHBondContact O-OG1 2.93Å; P142-T145 VanDerWaalsContact O-OG1 3.13Å |
| 146 | T | 57.9 | Low | 64.2 | Low | 69 Ų | 69 | 111.1 Ų | 111.1 | 42% | 0.423 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -75.8 | -28.8 | 174 | -11.2 | 0 | 0 | 0 | 0 | 113.5 | R141 G144 | R141-T146 PolarHBondContact NH1-OG1 2.95Å; G144-T146 PolarHBondContact O-N 2.99Å; G144-T146 VanDerWaalsContact O-N 3.09Å |
| 147 | K | 56 | Low | 64.8 | Low | 181 Ų | 181 | 109.2 Ų | 109.2 | 79% | 0.787 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.5 | -30.5 | -179.3 | -167.8 | 177.5 | 179 | -176.8 | 0 | 111.5 | G144 | G144-K147 PolarHBondContact O-N 3.08Å |
| 148 | A | 60.6 | Low | 65.5 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 74% | 0.736 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.9 | -28.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G144 G150 | G144-A148 PolarHBondContact O-N 2.72Å; G144-A148 VanDerWaalsContact O-N 3.08Å; A148-G150 PolarHBondContact O-N 2.63Å; A148-G150 VanDerWaalsContact O-N 3.15Å |
| 149 | A | 62.5 | Low | 65.9 | Low | 68 Ų | 68 | 111.7 Ų | 111.7 | 56% | 0.562 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 15.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y151 | A149-Y151 HydrophobicContact CB-CD2 4.17Å; A149-Y151 PolarHBondContact O-N 2.75Å |
| 150 | G | 63.3 | Low | 65.9 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 68% | 0.68 | 66% | 0.655 | S | S | * | * | | | trans | 69.2 | 0.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | A148 K152 | A148-G150 PolarHBondContact O-N 2.63Å; A148-G150 VanDerWaalsContact O-N 3.15Å; G150-K152 PolarHBondContact O-N 3.06Å |
| 151 | Y | 63.1 | Low | 65.4 | Low | 180 Ų | 180 | 108 Ų | 108 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | | | trans | -64.2 | 119.6 | 175.4 | -89.8 | -93.5 | 0 | 0 | 0 | 110.4 | A149 V153 | A149-Y151 HydrophobicContact CB-CD2 4.17Å; A149-Y151 PolarHBondContact O-N 2.75Å; Y151-V153 VanDerWaalsContact C-N 3.31Å; Y151-V153 PolarHBondContact O-N 2.81Å |
| 152 | K | 68.2 | Low | 65.2 | Low | 204 Ų | 204 | 105.5 Ų | 105.5 | 89% | 0.887 | 64% | 0.64 | S | S | * | * | | | trans | -66.8 | 90.7 | 170.5 | -66.1 | -91.7 | -178.2 | 173.5 | 0 | 108.1 | G150 S154 | G150-K152 PolarHBondContact O-N 3.06Å; K152-S154 PolarHBondContact O-N 3.47Å |
| 153 | V | 67.2 | Low | 64.6 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 61% | 0.612 | 65% | 0.648 | S | S | * | * | | | trans | -61.7 | 119.9 | 160.4 | -120.7 | 0 | 0 | 0 | 0 | 105.5 | Y151 P155 | Y151-V153 VanDerWaalsContact C-N 3.31Å; Y151-V153 PolarHBondContact O-N 2.81Å; V153-P155 VanDerWaalsContact O-N 3.17Å |
| 154 | S | 67.8 | Low | 64.6 | Low | 101 Ų | 101 | 105 Ų | 105 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | | | trans | -46 | 129.1 | 172.1 | -36.8 | 0 | 0 | 0 | 0 | 106.9 | K152 G156 | K152-S154 PolarHBondContact O-N 3.47Å; S154-G156 VanDerWaalsContact C-N 3.31Å; S154-G156 PolarHBondContact O-N 3.46Å |
| 155 | P | 70.3 | Confident | 64.3 | Low | 125 Ų | 125 | 108.7 Ų | 108.7 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | | | trans | -54.6 | 109.1 | 169.4 | -13.7 | 25.8 | 0 | 0 | 0 | 103.8 | V153 R157 | V153-P155 VanDerWaalsContact O-N 3.17Å; P155-R157 PolarHBondContact O-N 3.12Å |
| 156 | G | 72.4 | Confident | 64.1 | Low | 61 Ų | 61 | 111.4 Ų | 111.4 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | | | trans | -48.2 | 147.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | S154 | S154-G156 VanDerWaalsContact C-N 3.31Å; S154-G156 PolarHBondContact O-N 3.46Å |
| 157 | R | 74.1 | Confident | 64 | Low | 160 Ų | 160 | 118 Ų | 118 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -22 | 118 | -176.8 | -171.6 | 175.4 | -163.2 | -105.2 | -1.6 | 112 | P155 S161 | P155-R157 PolarHBondContact O-N 3.12Å; R157-S161 VanDerWaalsContact CZ-C 3.48Å; R157-S161 VanDerWaalsContact CZ-O 3.23Å; R157-S161 PolarHBondContact NE-OG 3.04Å; R157-S161 VanDerWaalsContact NE-OG 3.16Å; R157-S161 PolarHBondContact NH1-O 3.2Å; R157-S161 VanDerWaalsContact NH1-O 3.13Å; R157-S161 PolarHBondContact NH1-OG 3.1Å; R157-S161 PolarHBondContact NH2-O 2.85Å; R157-S161 PolarHBondContact NH2-OG 3.14Å |
| 158 | P | 77.3 | Confident | 64.1 | Low | 88 Ų | 88 | 114.3 Ų | 114.3 | 57% | 0.571 | 66% | 0.664 | S | S | * | * | | | trans | -50.6 | 134 | -169.3 | 14.1 | -27.8 | 0 | 0 | 0 | 110.6 | G160 S161 | P158-G160 PolarHBondContact O-N 3.22Å; P158-G160 VanDerWaalsContact O-N 3.08Å; P158-S161 WeakPolarHBondContact O-CB 3.41Å; P158-S161 PolarHBondContact O-N 3.29Å |
| 159 | P | 65.3 | Low | 63.8 | Low | 138 Ų | 138 | 117.4 Ų | 117.4 | 90% | 0.896 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.1 | 121 | -179.8 | 20.2 | -29.7 | 0 | 0 | 0 | 108.8 | | |
| 160 | G | 63.4 | Low | 63.6 | Low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.4 | -1.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | P158 I162 | P158-G160 PolarHBondContact O-N 3.22Å; P158-G160 VanDerWaalsContact O-N 3.08Å; G160-I162 PolarHBondContact O-N 3.25Å |
| 161 | S | 59.9 | Low | 63.1 | Low | 41 Ų | 41 | 126.5 Ų | 126.5 | 29% | 0.287 | 68% | 0.682 | S | S | . | * | | | trans | -67.2 | -6 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 114.7 | R157 P158 K163 | R157-S161 VanDerWaalsContact CZ-C 3.48Å; R157-S161 VanDerWaalsContact CZ-O 3.23Å; R157-S161 PolarHBondContact NE-OG 3.04Å; R157-S161 VanDerWaalsContact NE-OG 3.16Å; R157-S161 PolarHBondContact NH1-O 3.2Å; R157-S161 VanDerWaalsContact NH1-O 3.13Å; R157-S161 PolarHBondContact NH1-OG 3.1Å; R157-S161 PolarHBondContact NH2-O 2.85Å; R157-S161 PolarHBondContact NH2-OG 3.14Å; P158-S161 WeakPolarHBondContact O-CB 3.41Å; P158-S161 PolarHBondContact O-N 3.29Å; S161-K163 PolarHBondContact O-N 3.21Å |
| 162 | I | 64.4 | Low | 62.2 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 59% | 0.59 | 68% | 0.677 | S | S | * | * | | | trans | -76.5 | 75.9 | 172.9 | -54.3 | 170.9 | 0 | 0 | 0 | 108.2 | G160 T164 L165 | G160-I162 PolarHBondContact O-N 3.25Å; I162-T164 VanDerWaalsContact C-N 3.3Å; I162-T164 PolarHBondContact O-N 2.9Å; I162-L165 HydrophobicContact CG2-CD1 4.43Å; I162-L165 HydrophobicContact CG2-CG 4.4Å |
| 163 | K | 59.9 | Low | 61.4 | Low | 167 Ų | 167 | 123 Ų | 123 | 73% | 0.726 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 21.2 | 177.8 | -73.3 | -172.9 | 172.3 | -178.9 | 0 | 113.9 | S161 | S161-K163 PolarHBondContact O-N 3.21Š|
| 164 | T | 60.3 | Low | 60.6 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 61% | 0.607 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -11.4 | 179.9 | 53.2 | 0 | 0 | 0 | 0 | 114.6 | I162 L168 | I162-T164 VanDerWaalsContact C-N 3.3Å; I162-T164 PolarHBondContact O-N 2.9Å; T164-L168 WeakPolarHBondContact O-CD1 3.17Å |
| 165 | L | 56.1 | Low | 60 | Low | 122 Ų | 122 | 122 Ų | 122 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -85.2 | -25.7 | 179.4 | -64.2 | 177.2 | 0 | 0 | 0 | 113.5 | I162 | I162-L165 HydrophobicContact CG2-CD1 4.43Å; I162-L165 HydrophobicContact CG2-CG 4.4Å |
| 166 | S | 56.2 | Low | 59 | Low | 99 Ų | 99 | 122.7 Ų | 122.7 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -22.8 | -177.7 | -33.7 | 0 | 0 | 0 | 0 | 114 | | |
| 167 | R | 57 | Low | 58.1 | Low | 207 Ų | 207 | 124.5 Ų | 124.5 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -14.1 | 178.3 | -83.3 | -177 | 172.6 | 147.1 | -3.4 | 113.6 | | |
| 168 | L | 56.5 | Low | 57.3 | Low | 105 Ų | 105 | 121.5 Ų | 121.5 | 55% | 0.55 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -82.2 | -23.8 | 177.3 | -71.8 | 167.7 | 0 | 0 | 0 | 112.9 | T164 K170 L171 | T164-L168 WeakPolarHBondContact O-CD1 3.17Å; L168-K170 PolarHBondContact O-N 2.83Å; L168-L171 HydrophobicContact CD2-CD1 4.45Å; L168-L171 PolarHBondContact O-N 2.83Å |
| 169 | N | 55 | Low | 56 | Low | 154 Ų | 154 | 121.2 Ų | 121.2 | 82% | 0.824 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -71.4 | -7.9 | 176.4 | -84.1 | 2 | 0 | 0 | 0 | 114.5 | | |
| 170 | K | 58.2 | Low | 55.7 | Low | 198 Ų | 198 | 119.2 Ų | 119.2 | 86% | 0.861 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -112.6 | 1.9 | 173 | -78.3 | -174.5 | 174.1 | -165.8 | 0 | 113.6 | L168 G172 | L168-K170 PolarHBondContact O-N 2.83Å; K170-G172 PolarHBondContact O-N 3.26Å |
| 171 | L | 52.4 | Low | 55 | Low | 127 Ų | 127 | 123.7 Ų | 123.7 | 67% | 0.665 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -93.7 | 91.9 | 161.5 | -80.8 | 144.8 | 0 | 0 | 0 | 104.6 | L168 | L168-L171 HydrophobicContact CD2-CD1 4.45Å; L168-L171 PolarHBondContact O-N 2.83Å |
| 172 | G | 45.5 | Very low | 55 | Low | 59 Ų | 59 | 128 Ų | 128 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | | | trans | -49.1 | 164.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K170 G174 | K170-G172 PolarHBondContact O-N 3.26Å; G172-G174 PolarHBondContact O-N 3.32Å |
| 173 | Y | 51 | Low | 54.1 | Low | 252 Ų | 252 | 132.1 Ų | 132.1 | 99% | 0.988 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -56.4 | 75.5 | 167.9 | -76.9 | -100 | 0 | 0 | 0 | 110.1 | | |
| 174 | G | 50.6 | Low | 54 | Low | 53 Ų | 53 | 130.6 Ų | 130.6 | 55% | 0.546 | 74% | 0.744 | S | S | . | * | | | trans | -101.4 | 92.5 | 174 | 0 | 0 | 0 | 0 | 0 | 105.5 | G172 C176 | G172-G174 PolarHBondContact O-N 3.32Å; G174-C176 PolarHBondContact O-N 3.13Å |
| 175 | T | 55.4 | Low | 53.8 | Low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | 13 | 77.3 | 143.7 | -49.2 | 0 | 0 | 0 | 0 | 114 | S177 | T175-S177 PolarHBondContact O-N 3.33Š|
| 176 | C | 48.2 | Very low | 53.6 | Low | 139 Ų | 139 | 134.9 Ų | 134.9 | 94% | 0.939 | 76% | 0.757 | S | S | * | * | | | trans | -76.3 | 65 | 162.5 | -70.6 | 0 | 0 | 0 | 0 | 107.9 | G174 | G174-C176 PolarHBondContact O-N 3.13Š|
| 177 | S | 53.9 | Low | 53.3 | Low | 100 Ų | 100 | 137.8 Ų | 137.8 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -98.3 | 82.7 | 166.3 | -157.8 | 0 | 0 | 0 | 0 | 107.1 | T175 | T175-S177 PolarHBondContact O-N 3.33Š|
| 178 | A | 56.8 | Low | 53.2 | Low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | trans | -153 | 50.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 179 | A | 49.8 | Very low | 52.5 | Low | 83 Ų | 83 | 135 Ų | 135 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | | | trans | -65.7 | 133.1 | 154.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | F181 | A179-F181 PolarHBondContact O-N 2.99Š|
| 180 | A | 58.7 | Low | 51.8 | Low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -66.1 | 19.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 181 | F | 49.7 | Very low | 51.2 | Low | 159 Ų | 159 | 132 Ų | 132 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -139.5 | 124.1 | 175.1 | -64.5 | -75.6 | 0 | 0 | 0 | 108.9 | A179 Y183 | A179-F181 PolarHBondContact O-N 2.99Å; F181-Y183 PolarHBondContact O-N 3.18Å |
| 182 | P | 58.4 | Low | 50.4 | Low | 131 Ų | 131 | 131.9 Ų | 131.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -73.6 | 91.2 | 175.8 | 30.7 | -32.5 | 0 | 0 | 0 | 108.8 | | |
| 183 | Y | 46.5 | Very low | 50.1 | Low | 202 Ų | 202 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -87.6 | 118.4 | 157.5 | -100.1 | -88.8 | 0 | 0 | 0 | 108.1 | F181 M185 | F181-Y183 PolarHBondContact O-N 3.18Å; Y183-M185 PolarHBondContact O-N 3.11Å |
| 184 | T | 58.1 | Low | 49.9 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -64.5 | 99.8 | 172.7 | 45 | 0 | 0 | 0 | 0 | 108.7 | M186 | T184-M186 PolarHBondContact O-N 3.1Å; T184-M186 VanDerWaalsContact O-N 3.12Å |
| 185 | M | 56.1 | Low | 49.4 | Very low | 159 Ų | 159 | 131.9 Ų | 131.9 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -71.7 | 106 | 169.9 | -50.6 | -76.3 | -95.1 | 0 | 0 | 106.3 | Y183 N187 | Y183-M185 PolarHBondContact O-N 3.11Å; M185-N187 PolarHBondContact O-N 3.05Å |
| 186 | M | 51.2 | Low | 48.4 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -58.2 | 103.9 | 169.7 | 44.9 | 163.5 | 73.8 | 0 | 0 | 109.5 | T184 K188 | T184-M186 PolarHBondContact O-N 3.1Å; T184-M186 VanDerWaalsContact O-N 3.12Å; M186-K188 PolarHBondContact O-N 3.45Å; M186-K188 VanDerWaalsContact O-N 3.08Å |
| 187 | N | 50.8 | Low | 48 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | | | trans | -64.8 | 107 | 171.1 | -83.3 | -4.3 | 0 | 0 | 0 | 108.9 | M185 | M185-N187 PolarHBondContact O-N 3.05Š|
| 188 | K | 53.7 | Low | 47.2 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | | | trans | -98.6 | 113.5 | 164 | -73.1 | -177.6 | 178 | -179.5 | 0 | 108.9 | M186 | M186-K188 PolarHBondContact O-N 3.45Å; M186-K188 VanDerWaalsContact O-N 3.08Å |
| 189 | G | 41.6 | Very low | 46.3 | Very low | 71 Ų | 71 | 144.2 Ų | 144.2 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 64.5 | 101 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 190 | S | 40.8 | Very low | 45.7 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -38.1 | 137.9 | 149.4 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 191 | L | 46.5 | Very low | 44.6 | Very low | 168 Ų | 168 | 151 Ų | 151 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | | | trans | 147.2 | 107.9 | 136 | -174.2 | 68.3 | 0 | 0 | 0 | 110.5 | | |
| 192 | C | 35.5 | Very low | 43.7 | Very low | 123 Ų | 123 | 150.6 Ų | 150.6 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | | | | 175.2 | 121.3 | 122.6 | -155.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 193 | E | 39.4 | Very low | 42.4 | Very low | 154 Ų | 154 | 156.6 Ų | 156.6 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | | | trans | -77.3 | 133.9 | -176.1 | -142.2 | -85.8 | 169.4 | 0 | 0 | 110.3 | S195 | E193-S195 PolarHBondContact O-N 3.35Å; E193-S195 PolarHBondContact OE2-N 2.83Å; E193-S195 VanDerWaalsContact OE2-N 3.15Å |
| 194 | P | 45.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 71% | 0.708 | 83% | 0.831 | S | S | * | * | | | trans | -90.3 | 98.2 | 167.3 | 32.1 | -28.4 | 0 | 0 | 0 | 110.7 | C196 | P194-C196 PolarHBondContact O-N 3.06Å; P194-C196 VanDerWaalsContact O-N 3.15Å |
| 195 | S | 40.9 | Very low | 41.3 | Very low | 102 Ų | 102 | 155.4 Ų | 155.4 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | | | trans | -45 | 116.2 | 157.3 | -180 | 0 | 0 | 0 | 0 | 110.2 | E193 | E193-S195 PolarHBondContact O-N 3.35Å; E193-S195 PolarHBondContact OE2-N 2.83Å; E193-S195 VanDerWaalsContact OE2-N 3.15Å |
| 196 | C | 33.7 | Very low | 40.5 | Very low | 121 Ų | 121 | 155.2 Ų | 155.2 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | trans | -137.4 | 110.9 | 160.7 | -89.9 | 0 | 0 | 0 | 0 | 108.9 | P194 E198 | P194-C196 PolarHBondContact O-N 3.06Å; P194-C196 VanDerWaalsContact O-N 3.15Å; C196-E198 PolarHBondContact O-N 3.14Å |
| 197 | K | 41.3 | Very low | 39.9 | Very low | 207 Ų | 207 | 155.4 Ų | 155.4 | 90% | 0.9 | 84% | 0.839 | S | S | * | * | | | trans | -46.3 | 125 | 169 | -63.8 | -178.3 | 174.2 | -176.7 | 0 | 110.2 | | |
| 198 | E | 36.4 | Very low | 39.2 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 91% | 0.907 | 84% | 0.838 | S | S | * | * | | | trans | -115.4 | 132.7 | 157.5 | -116.1 | -178.2 | 166.3 | 0 | 0 | 110.1 | C196 | C196-E198 PolarHBondContact O-N 3.14Š|
| 199 | K | 38 | Very low | 38.2 | Very low | 199 Ų | 199 | 153.2 Ų | 153.2 | 87% | 0.865 | 84% | 0.841 | S | S | * | * | | | trans | -67.7 | 135.7 | -179 | -86.1 | 173.7 | 164.8 | -177.4 | 0 | 110.1 | T201 | K199-T201 PolarHBondContact O-N 2.98Š|
| 200 | E | 37.9 | Very low | 38 | Very low | 193 Ų | 193 | 159.1 Ų | 159.1 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | | | trans | -42.2 | 123.8 | 159.7 | -164.4 | 179.9 | -175.4 | 0 | 0 | 112.4 | | |
| 201 | T | 34.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 162 Ų | 162 | 79% | 0.785 | 85% | 0.849 | S | S | * | * | | | trans | -153.8 | 106.3 | 154.2 | -4.9 | 0 | 0 | 0 | 0 | 109.9 | K199 | K199-T201 PolarHBondContact O-N 2.98Š|
| 202 | N | 31.9 | Very low | 37 | Very low | 151 Ų | 151 | 161.5 Ų | 161.5 | 81% | 0.807 | 85% | 0.846 | S | S | * | * | | | trans | 60.2 | 99.5 | 133.5 | -154.9 | -31.7 | 0 | 0 | 0 | 118.7 | | |
| 203 | E | 29.7 | Very low | 37.2 | Very low | 257 Ų | 257 | 165 Ų | 165 | 100% | 1.201 | 85% | 0.848 | S | S | * | * | | | | -161.6 | 0 | 97.6 | -167.9 | -178.6 | 123.7 | 0 | 0 | 109.5 | | |