| 1 | M | 54 | Low | 64.4 | Low | 244 Ų | 244 | 142.5 Ų | 142.5 | 100% | 1.202 | 83% | 0.83 | S | S | * | * | | | | 0 | 113 | 0 | -71.9 | -160.4 | 174.3 | 0 | 0 | 108.1 | | |
| 2 | A | 65.8 | Low | 64.6 | Low | 106 Ų | 106 | 147 Ų | 147 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | | | trans | -99.2 | 107.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L4 | A2-L4 PolarHBondContact O-N 3.47Š|
| 3 | L | 68.5 | Low | 64.6 | Low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | trans | -77.2 | 113 | 172.2 | -73 | 161 | 0 | 0 | 0 | 107.9 | | |
| 4 | L | 74.2 | Confident | 64.8 | Low | 162 Ų | 162 | 140.2 Ų | 140.2 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -64.7 | 136.8 | 168.4 | -80.7 | 160.2 | 0 | 0 | 0 | 109 | A2 N6 | A2-L4 PolarHBondContact O-N 3.47Å; L4-N6 PolarHBondContact O-N 3.47Å |
| 5 | P | 58.9 | Low | 64.5 | Low | 115 Ų | 115 | 138.1 Ų | 138.1 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | | | trans | -70.7 | 118.1 | -177.8 | 29.2 | -31.1 | 0 | 0 | 0 | 108.8 | A7 | P5-A7 PolarHBondContact O-N 3.25Š|
| 6 | N | 61.6 | Low | 64.4 | Low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | 9 | 98.5 | 159.3 | -67.8 | -32.7 | 0 | 0 | 0 | 115 | L4 I8 | L4-N6 PolarHBondContact O-N 3.47Å; N6-I8 PolarHBondContact O-N 3.39Å |
| 7 | A | 64.9 | Low | 64.1 | Low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -56.1 | 107.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | P5 V9 | P5-A7 PolarHBondContact O-N 3.25Å; A7-V9 PolarHBondContact O-N 3.34Å |
| 8 | I | 65.3 | Low | 63.5 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 80% | 0.804 | S | S | * | * | | | trans | -70.8 | 97.9 | 172.2 | -60.1 | 172.8 | 0 | 0 | 0 | 106.4 | N6 L10 | N6-I8 PolarHBondContact O-N 3.39Å; I8-L10 HydrophobicContact CG2-CD2 4.13Å; I8-L10 HydrophobicContact CG2-CG 4.22Å; I8-L10 PolarHBondContact O-N 3.44Å; I8-L10 VanDerWaalsContact O-N 3.08Å |
| 9 | V | 66 | Low | 63.3 | Low | 128 Ų | 128 | 140.7 Ų | 140.7 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -72.1 | 98.1 | 168.5 | -179.9 | 0 | 0 | 0 | 0 | 106.9 | A7 P11 | A7-V9 PolarHBondContact O-N 3.34Å; V9-P11 WeakPolarHBondContact O-CD 3.3Å |
| 10 | L | 65.2 | Low | 63 | Low | 143 Ų | 143 | 139.5 Ų | 139.5 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -71.3 | 122.8 | 168.3 | -71.4 | 172.2 | 0 | 0 | 0 | 108.2 | I8 F12 | I8-L10 HydrophobicContact CG2-CD2 4.13Å; I8-L10 HydrophobicContact CG2-CG 4.22Å; I8-L10 PolarHBondContact O-N 3.44Å; I8-L10 VanDerWaalsContact O-N 3.08Å; L10-F12 PolarHBondContact O-N 3.29Å |
| 11 | P | 63.7 | Low | 62.6 | Low | 112 Ų | 112 | 141.3 Ų | 141.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -64.6 | 111.7 | 174.7 | 25.6 | -31.2 | 0 | 0 | 0 | 108.4 | V9 S13 | V9-P11 WeakPolarHBondContact O-CD 3.3Å; P11-S13 VanDerWaalsContact C-N 3.3Å; P11-S13 PolarHBondContact O-N 3.2Å |
| 12 | F | 67.3 | Low | 62.9 | Low | 196 Ų | 196 | 135.4 Ų | 135.4 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | | | trans | -67.3 | 91.5 | 172.2 | -162.6 | -92.7 | 0 | 0 | 0 | 107.9 | L10 P14 | L10-F12 PolarHBondContact O-N 3.29Å; F12-P14 VanDerWaalsContact O-CD 3.3Å; F12-P14 WeakPolarHBondContact O-CD 3.47Å |
| 13 | S | 64.9 | Low | 62.5 | Low | 101 Ų | 101 | 138.1 Ų | 138.1 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -79.2 | 113.9 | 168.8 | 46.8 | 0 | 0 | 0 | 0 | 107.8 | P11 | P11-S13 VanDerWaalsContact C-N 3.3Å; P11-S13 PolarHBondContact O-N 3.2Å |
| 14 | P | 67 | Low | 61.9 | Low | 98 Ų | 98 | 139 Ų | 139 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | -63.6 | 138.2 | 171.8 | 25.8 | -30.6 | 0 | 0 | 0 | 108.1 | F12 A16 | F12-P14 VanDerWaalsContact O-CD 3.3Å; F12-P14 WeakPolarHBondContact O-CD 3.47Å; P14-A16 PolarHBondContact O-N 3.03Å; P14-A16 VanDerWaalsContact O-N 3.09Å |
| 15 | P | 60.8 | Low | 61.1 | Low | 108 Ų | 108 | 141.4 Ų | 141.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | -60 | 121.7 | -178.6 | 22.5 | -30.6 | 0 | 0 | 0 | 108.9 | Y17 | P15-Y17 PolarHBondContact O-N 2.96Š|
| 16 | A | 62.5 | Low | 61.1 | Low | 98 Ų | 98 | 141.9 Ų | 141.9 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -62.8 | 17.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | P14 R18 | P14-A16 PolarHBondContact O-N 3.03Å; P14-A16 VanDerWaalsContact O-N 3.09Å; A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.12Å |
| 17 | Y | 59.1 | Low | 60.9 | Low | 204 Ų | 204 | 138.2 Ų | 138.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 5.2 | -173.7 | -127.5 | -90.9 | 0 | 0 | 0 | 114.2 | P15 | P15-Y17 PolarHBondContact O-N 2.96Š|
| 18 | R | 54.2 | Low | 60.7 | Low | 220 Ų | 220 | 141.7 Ų | 141.7 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -4.9 | -178.8 | -76.8 | -166.3 | 160.1 | -170.8 | -4.5 | 115.4 | A16 | A16-R18 VanDerWaalsContact C-N 3.32Å; A16-R18 PolarHBondContact O-N 3.12Å |
| 19 | S | 59.1 | Low | 59.9 | Low | 80 Ų | 80 | 138.1 Ų | 138.1 | 56% | 0.559 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -13.6 | -174.8 | 87.4 | 0 | 0 | 0 | 0 | 115.9 | | |
| 20 | D | 56.2 | Low | 59.7 | Low | 116 Ų | 116 | 142 Ų | 142 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -16.3 | -179.4 | -69.9 | -36.8 | 0 | 0 | 0 | 114.3 | | |
| 21 | F | 56.2 | Low | 59.3 | Low | 179 Ų | 179 | 140.1 Ų | 140.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -29.3 | -179.4 | -115.4 | -88.7 | 0 | 0 | 0 | 113.1 | | |
| 22 | D | 58.8 | Low | 59 | Low | 120 Ų | 120 | 144.8 Ų | 144.8 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -22.2 | -179.5 | -74.6 | -29.8 | 0 | 0 | 0 | 113.3 | K24 | D22-K24 PolarHBondContact O-N 3.22Š|
| 23 | K | 57.2 | Low | 58.6 | Low | 162 Ų | 162 | 146.5 Ų | 146.5 | 70% | 0.704 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -18.7 | 177.9 | -74.7 | -177.8 | 179.9 | 172.8 | 0 | 114.2 | T26 | K23-T26 PolarHBondContact O-OG1 3.26Š|
| 24 | K | 56.5 | Low | 58.3 | Low | 192 Ų | 192 | 146 Ų | 146 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -6.8 | 176.8 | -71 | -157.3 | 177.4 | -174.2 | 0 | 114.5 | D22 | D22-K24 PolarHBondContact O-N 3.22Š|
| 25 | R | 57.4 | Low | 57.8 | Low | 212 Ų | 212 | 148.6 Ų | 148.6 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -93.4 | -9.2 | -177.6 | -141.9 | 175 | -176.5 | -174.7 | -0.1 | 114.4 | | |
| 26 | T | 58.2 | Low | 57.5 | Low | 125 Ų | 125 | 153.3 Ų | 153.3 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 3.8 | -176.1 | 44.4 | 0 | 0 | 0 | 0 | 114.9 | K23 | K23-T26 PolarHBondContact O-OG1 3.26Š|
| 27 | G | 57.6 | Low | 57.4 | Low | 71 Ų | 71 | 152.8 Ų | 152.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -4 | -179 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 28 | L | 60.7 | Low | 57.6 | Low | 166 Ų | 166 | 152 Ų | 152 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120 | 105.5 | -176.5 | -74.5 | 165.7 | 0 | 0 | 0 | 110.3 | | |
| 29 | G | 49.9 | Very low | 57.6 | Low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 124.1 | 35.8 | 158 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 30 | K | 61.4 | Low | 57.4 | Low | 209 Ų | 209 | 155.3 Ų | 155.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -77 | 145.4 | 150.2 | -63.6 | -178.4 | -178.8 | 179.9 | 0 | 108.3 | | |
| 31 | P | 56.2 | Low | 57.5 | Low | 103 Ų | 103 | 155.1 Ų | 155.1 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | | | | -105.4 | 129.7 | -67.3 | 32.4 | -19.4 | 0 | 0 | 0 | 110 | R33 | P31-R33 PolarHBondContact O-N 3.24Š|
| 32 | K | 58.3 | Low | 57.6 | Low | 210 Ų | 210 | 153 Ų | 153 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | | | trans | -72 | 76.1 | 163.1 | -78.8 | -175 | 177.2 | -178.3 | 0 | 109.1 | | |
| 33 | R | 58.9 | Low | 57.6 | Low | 232 Ų | 232 | 157.4 Ų | 157.4 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -147.3 | 70.5 | 168.1 | -75.5 | -167.9 | 178.7 | -179.1 | -1 | 108.1 | P31 | P31-R33 PolarHBondContact O-N 3.24Š|
| 34 | A | 57.5 | Low | 57.4 | Low | 90 Ų | 90 | 156.4 Ų | 156.4 | 74% | 0.744 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -163.4 | 1.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 35 | I | 57 | Low | 57.5 | Low | 154 Ų | 154 | 155 Ų | 155 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | | | trans | -100.5 | 8.8 | -168.5 | -51.1 | 176.9 | 0 | 0 | 0 | 113.2 | A37 | I35-A37 PolarHBondContact O-N 3.49Š|
| 36 | E | 55.7 | Low | 57.3 | Low | 207 Ų | 207 | 150 Ų | 150 | 97% | 0.967 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -91.7 | 14.5 | -177.4 | -78 | -177.2 | 164 | 0 | 0 | 115.6 | | |
| 37 | A | 60 | Low | 57.2 | Low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -128.6 | 2.3 | -168.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | I35 | I35-A37 PolarHBondContact O-N 3.49Š|
| 38 | E | 61.6 | Low | 57 | Low | 186 Ų | 186 | 161.3 Ų | 161.3 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | | | trans | -141 | 10.9 | -166.7 | -129.4 | -177.8 | 179.6 | 0 | 0 | 119.1 | | |
| 39 | Q | 55 | Low | 57 | Low | 203 Ų | 203 | 159.7 Ų | 159.7 | 95% | 0.949 | 82% | 0.816 | S | S | * | * | | | trans | -105.5 | 65.5 | 173.5 | -81.3 | 179.5 | 7.9 | 0 | 0 | 112.5 | | |
| 40 | Q | 55.4 | Low | 57.7 | Low | 168 Ų | 168 | 160.9 Ų | 160.9 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -100.8 | 107.5 | 162.6 | -108.1 | 148.2 | -25.9 | 0 | 0 | 109.2 | | |
| 41 | T | 58.1 | Low | 57.4 | Low | 111 Ų | 111 | 156 Ų | 156 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | | | trans | 49.5 | 125.7 | 149.7 | 57.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 42 | P | 59 | Low | 57.6 | Low | 135 Ų | 135 | 159.9 Ų | 159.9 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | | | | -108.8 | 102.3 | 129.8 | 30.9 | -26.1 | 0 | 0 | 0 | 109 | | |
| 43 | R | 57.9 | Low | 57.8 | Low | 212 Ų | 212 | 161.5 Ų | 161.5 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | -74.3 | 147.1 | 155.9 | -77.9 | -174.7 | 175.3 | 178.4 | -0.9 | 108.1 | | |
| 44 | D | 53.4 | Low | 57.9 | Low | 142 Ų | 142 | 161.1 Ų | 161.1 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | 62 | 86.8 | 155.8 | -58 | -32.7 | 0 | 0 | 0 | 117.9 | | |
| 45 | L | 58.7 | Low | 58.1 | Low | 162 Ų | 162 | 164.9 Ų | 164.9 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | | | trans | -148 | 101.8 | 141.6 | -105.3 | 120.2 | 0 | 0 | 0 | 110.1 | | |
| 46 | T | 53.6 | Low | 58.1 | Low | 108 Ų | 108 | 163.4 Ų | 163.4 | 66% | 0.663 | 82% | 0.816 | S | S | * | * | | | trans | 49.7 | 115.1 | 135.1 | 57.5 | 0 | 0 | 0 | 0 | 118 | | |
| 47 | Q | 56.1 | Low | 58.7 | Low | 179 Ų | 179 | 160.1 Ų | 160.1 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | | | | 173.7 | 125.3 | 98.8 | -88.6 | 179.9 | 9 | 0 | 0 | 110.9 | T49 | Q47-T49 PolarHBondContact O-N 3.12Š|
| 48 | R | 52.4 | Low | 58.9 | Low | 253 Ų | 253 | 161.6 Ų | 161.6 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | | | trans | -56.7 | 124.8 | 161.4 | -77.5 | 165.3 | 148.5 | 175.7 | -7.4 | 109.3 | | |
| 49 | T | 60.8 | Low | 59.1 | Low | 133 Ų | 133 | 158 Ų | 158 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -133.1 | 122.4 | 147.1 | 56.1 | 0 | 0 | 0 | 0 | 110 | Q47 | Q47-T49 PolarHBondContact O-N 3.12Š|
| 50 | S | 64 | Low | 59.6 | Low | 95 Ų | 95 | 154.9 Ų | 154.9 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | | | trans | -57.9 | 149.7 | -175.8 | 52 | 0 | 0 | 0 | 0 | 114.4 | F52 | S50-F52 PolarHBondContact O-N 2.83Š|
| 51 | S | 57.1 | Low | 60.2 | Low | 107 Ų | 107 | 152.5 Ų | 152.5 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | -31.9 | 122.6 | 161.2 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 52 | F | 58.5 | Low | 60.8 | Low | 183 Ų | 183 | 155 Ų | 155 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | | | trans | -129 | 92.9 | 148.3 | -92.2 | -83.6 | 0 | 0 | 0 | 108.6 | S50 R54 | S50-F52 PolarHBondContact O-N 2.83Å; F52-R54 PolarHBondContact O-N 3.27Å |
| 53 | R | 62.7 | Low | 61.1 | Low | 245 Ų | 245 | 157.5 Ų | 157.5 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -73.7 | 101 | 161.9 | -76.6 | -175.8 | 175.8 | -177.2 | -0.3 | 107.4 | L55 | R53-L55 PolarHBondContact O-N 2.8Š|
| 54 | R | 62.4 | Low | 61.4 | Low | 224 Ų | 224 | 158.1 Ų | 158.1 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -81.2 | 104.9 | 163.4 | -79.5 | -175.5 | 174.7 | 172.6 | -1 | 108.4 | F52 V56 | F52-R54 PolarHBondContact O-N 3.27Å; R54-V56 PolarHBondContact O-N 3.38Å |
| 55 | L | 61.9 | Low | 62 | Low | 169 Ų | 169 | 161.1 Ų | 161.1 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | | | trans | -64.9 | 115.8 | 161.7 | -78 | 161.5 | 0 | 0 | 0 | 107.7 | R53 | R53-L55 PolarHBondContact O-N 2.8Š|
| 56 | V | 56 | Low | 62.5 | Low | 123 Ų | 123 | 162.9 Ų | 162.9 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | | | trans | -104 | 105 | 171.5 | -178 | 0 | 0 | 0 | 0 | 107.4 | R54 V58 | R54-V56 PolarHBondContact O-N 3.38Å; V56-V58 PolarHBondContact O-N 3.35Å |
| 57 | T | 69 | Low | 63.1 | Low | 138 Ų | 138 | 167.3 Ų | 167.3 | 85% | 0.847 | 82% | 0.815 | S | S | * | * | | | trans | -74.5 | 114.1 | 171.9 | 2.4 | 0 | 0 | 0 | 0 | 109 | | |
| 58 | V | 64.6 | Low | 63.5 | Low | 118 Ų | 118 | 170.3 Ų | 170.3 | 72% | 0.715 | 82% | 0.819 | S | S | * | * | | | trans | -86.5 | 123.6 | 171.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | V56 T60 | V56-V58 PolarHBondContact O-N 3.35Å; V58-T60 PolarHBondContact O-N 3.37Å |
| 59 | P | 64.5 | Low | 64.2 | Low | 109 Ų | 109 | 168.1 Ų | 168.1 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | | | trans | -68.6 | 121.4 | 175.2 | 26 | -31 | 0 | 0 | 0 | 110.2 | V61 | P59-V61 PolarHBondContact O-N 2.58Š|
| 60 | T | 65.9 | Low | 64 | Low | 139 Ų | 139 | 166.7 Ų | 166.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -67.9 | 107 | 173 | -7.9 | 0 | 0 | 0 | 0 | 108.9 | V58 E62 | V58-T60 PolarHBondContact O-N 3.37Å; T60-E62 PolarHBondContact O-N 2.74Å |
| 61 | V | 67.7 | Low | 63.8 | Low | 117 Ų | 117 | 169.5 Ų | 169.5 | 71% | 0.709 | 82% | 0.819 | S | S | * | * | | | trans | -77.5 | 92.1 | 171 | -173.4 | 0 | 0 | 0 | 0 | 108 | P59 K63 | P59-V61 PolarHBondContact O-N 2.58Å; V61-K63 HydrophobicContact CG1-CG 4.1Å; V61-K63 PolarHBondContact O-N 3.11Å |
| 62 | E | 69.9 | Low | 63.7 | Low | 165 Ų | 165 | 173 Ų | 173 | 77% | 0.771 | 82% | 0.824 | S | S | * | * | | | trans | -65.5 | 91.1 | 170.1 | -161.9 | -174.5 | -160.1 | 0 | 0 | 109.2 | T60 R64 | T60-E62 PolarHBondContact O-N 2.74Å; E62-R64 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact O-N 3.12Å |
| 63 | K | 66.6 | Low | 63.6 | Low | 187 Ų | 187 | 169.7 Ų | 169.7 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | | | trans | -76.5 | 99.6 | 172 | -71.6 | -161.4 | 178.7 | -175 | 0 | 109.3 | V61 K65 | V61-K63 HydrophobicContact CG1-CG 4.1Å; V61-K63 PolarHBondContact O-N 3.11Å; K63-K65 PolarHBondContact O-N 3.45Å |
| 64 | R | 62.8 | Low | 63 | Low | 225 Ų | 225 | 167.4 Ų | 167.4 | 85% | 0.849 | 82% | 0.823 | S | S | * | * | | | trans | -51.5 | 120.8 | 169.5 | -71.2 | -178.6 | 172.2 | -174.1 | -3.2 | 110.8 | E62 K66 | E62-R64 PolarHBondContact O-N 2.89Å; E62-R64 VanDerWaalsContact O-N 3.12Å; R64-K66 PolarHBondContact O-N 2.99Å |
| 65 | K | 66.2 | Low | 62.8 | Low | 205 Ų | 205 | 161.3 Ų | 161.3 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -62.9 | 112.6 | 168 | -84.6 | -178.2 | 174.5 | 177.2 | 0 | 109.5 | K63 K67 | K63-K65 PolarHBondContact O-N 3.45Å; K65-K67 PolarHBondContact O-N 2.79Å |
| 66 | K | 70.1 | Confident | 62.4 | Low | 199 Ų | 199 | 158.9 Ų | 158.9 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | | | trans | -77 | 100.6 | 165 | -156.8 | 172 | -173.4 | 175.8 | 0 | 108 | R64 R68 | R64-K66 PolarHBondContact O-N 2.99Å; K66-R68 PolarHBondContact O-N 3.48Å; K66-R68 VanDerWaalsContact O-N 3.12Å |
| 67 | K | 65.4 | Low | 61.8 | Low | 201 Ų | 201 | 158.7 Ų | 158.7 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -60.2 | 107.3 | 166.2 | -93.7 | -175.9 | 173.2 | 179.9 | 0 | 108.1 | K65 | K65-K67 PolarHBondContact O-N 2.79Š|
| 68 | R | 65.5 | Low | 61.5 | Low | 242 Ų | 242 | 161.8 Ų | 161.8 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 121.7 | 157.9 | -96.2 | -177.9 | 151.4 | 178.7 | -7.1 | 107.3 | K66 | K66-R68 PolarHBondContact O-N 3.48Å; K66-R68 VanDerWaalsContact O-N 3.12Å |
| 69 | K | 65.9 | Low | 61.2 | Low | 207 Ų | 207 | 161.9 Ų | 161.9 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 131 | 170.8 | -74.3 | -177.1 | 174.6 | -178.1 | 0 | 108.6 | | |
| 70 | S | 58.2 | Low | 60.7 | Low | 102 Ų | 102 | 161.3 Ų | 161.3 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 144.3 | 166.8 | 48.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 71 | N | 59 | Low | 60.2 | Low | 155 Ų | 155 | 163.1 Ų | 163.1 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | | | trans | -168.9 | 147.4 | 141.6 | -88.4 | -18.4 | 0 | 0 | 0 | 107.4 | | |
| 72 | Q | 55.2 | Low | 59.5 | Low | 181 Ų | 181 | 161.3 Ų | 161.3 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | | | trans | 90.8 | 80 | -179.5 | -54.9 | -176.8 | -3.6 | 0 | 0 | 112.9 | | |
| 73 | S | 56.3 | Low | 58.7 | Low | 113 Ų | 113 | 160.3 Ų | 160.3 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | | | | 84.6 | 120.6 | 78.9 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 74 | E | 50.4 | Low | 58.1 | Low | 196 Ų | 196 | 160.8 Ų | 160.8 | 92% | 0.916 | 83% | 0.833 | S | S | * | * | | | trans | -59.8 | 140.7 | -174.3 | -62 | 156.4 | 144.7 | 0 | 0 | 112.6 | | |
| 75 | A | 57.9 | Low | 57.7 | Low | 97 Ų | 97 | 156.4 Ų | 156.4 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | | | trans | -150.3 | 115.3 | 142.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 76 | P | 52.8 | Low | 57 | Low | 118 Ų | 118 | 151.4 Ų | 151.4 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | | | trans | -82.5 | 140.2 | 177.7 | 30.9 | -29.6 | 0 | 0 | 0 | 112 | | |
| 77 | C | 43.6 | Very low | 56.4 | Low | 118 Ų | 118 | 148.9 Ų | 148.9 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | | | trans | 57 | 108.9 | 141.9 | -58.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 78 | K | 62.9 | Low | 55.6 | Low | 204 Ų | 204 | 148.2 Ų | 148.2 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -139.8 | 113.8 | 138.2 | -72.5 | -171 | -179.9 | 177.7 | 0 | 110.3 | A80 | K78-A80 PolarHBondContact O-N 3.49Š|
| 79 | P | 57.9 | Low | 54.6 | Low | 119 Ų | 119 | 140.1 Ų | 140.1 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -72.2 | 122.3 | 157.4 | 29.8 | -27 | 0 | 0 | 0 | 107.4 | L81 | P79-L81 PolarHBondContact O-N 2.81Å; P79-L81 VanDerWaalsContact O-N 3.08Å |
| 80 | A | 55.6 | Low | 53.9 | Low | 98 Ų | 98 | 141.3 Ų | 141.3 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -67 | 106.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | K78 A82 | K78-A80 PolarHBondContact O-N 3.49Å; A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 3.08Å |
| 81 | L | 54.4 | Low | 53.5 | Low | 177 Ų | 177 | 148.4 Ų | 148.4 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | | | trans | -60.1 | 98.6 | 164.1 | -92 | 155.7 | 0 | 0 | 0 | 107.6 | P79 | P79-L81 PolarHBondContact O-N 2.81Å; P79-L81 VanDerWaalsContact O-N 3.08Å |
| 82 | A | 53.2 | Low | 53.6 | Low | 79 Ų | 79 | 148.1 Ų | 148.1 | 65% | 0.653 | 81% | 0.81 | S | S | * | * | | | trans | -74.7 | 136.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | A80 | A80-A82 VanDerWaalsContact C-N 3.34Å; A80-A82 PolarHBondContact O-N 3.08Å |
| 83 | N | 53.1 | Low | 53.3 | Low | 143 Ų | 143 | 143 Ų | 143 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | 95.3 | 72.4 | 167.2 | -53.1 | -12 | 0 | 0 | 0 | 116.4 | I85 | N83-I85 PolarHBondContact O-N 3.41Š|
| 84 | E | 54.4 | Low | 52.6 | Low | 198 Ų | 198 | 140.8 Ų | 140.8 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -62.8 | 105.3 | 143.3 | -76.8 | -177.5 | 155.9 | 0 | 0 | 108.9 | S86 | E84-S86 PolarHBondContact O-N 2.75Š|
| 85 | I | 54.6 | Low | 52.3 | Low | 133 Ų | 133 | 139.6 Ų | 139.6 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | | | trans | -85.1 | 91.9 | 163.9 | -59.6 | 171.1 | 0 | 0 | 0 | 106.5 | N83 N87 | N83-I85 PolarHBondContact O-N 3.41Å; I85-N87 PolarHBondContact O-N 2.93Å |
| 86 | S | 51.2 | Low | 51.7 | Low | 99 Ų | 99 | 142.4 Ų | 142.4 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -67.6 | 92.9 | 168.8 | 166.1 | 0 | 0 | 0 | 0 | 109.8 | E84 H88 | E84-S86 PolarHBondContact O-N 2.75Å; S86-H88 PolarHBondContact O-N 2.97Å |
| 87 | N | 57 | Low | 51.7 | Low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | -85.8 | 81.5 | 164.1 | -74.5 | -32.1 | 0 | 0 | 0 | 108.8 | I85 | I85-N87 PolarHBondContact O-N 2.93Š|
| 88 | H | 47.9 | Very low | 51.6 | Low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | | | trans | -90.8 | 134.2 | 171.2 | -133.3 | 12 | 0 | 0 | 0 | 110.1 | S86 | S86-H88 PolarHBondContact O-N 2.97Š|
| 89 | G | 46.4 | Very low | 50.5 | Low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 163.2 | -156 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 90 | R | 50.4 | Low | 49.7 | Very low | 233 Ų | 233 | 138.6 Ų | 138.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -128.6 | 105.3 | 146.9 | -157.1 | 175.8 | -167.6 | 179.9 | 3.1 | 108 | | |
| 91 | R | 50 | Low | 49 | Very low | 250 Ų | 250 | 136.8 Ų | 136.8 | 94% | 0.943 | 79% | 0.788 | S | S | * | * | | | trans | -77.1 | 131.4 | 171 | -74.5 | 177.8 | 158.6 | -145.7 | -3.7 | 108.9 | | |
| 92 | I | 60.1 | Low | 48.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -137.8 | 96.9 | 162.2 | -45.6 | 176.4 | 0 | 0 | 0 | 101.9 | | |
| 93 | G | 48.5 | Very low | 48 | Very low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | | 63.9 | 75.1 | 70 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 94 | G | 42.6 | Very low | 47.7 | Very low | 66 Ų | 66 | 141.1 Ų | 141.1 | 68% | 0.68 | 79% | 0.793 | S | S | * | * | | | | 108.6 | 113.4 | 77.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 95 | N | 44.6 | Very low | 47.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | 165.5 | 94.1 | 152.4 | -87.2 | -12.1 | 0 | 0 | 0 | 110.5 | | |
| 96 | D | 45.8 | Very low | 47.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -80.1 | 155.3 | 145.3 | -80.4 | -41.8 | 0 | 0 | 0 | 107.2 | | |
| 97 | P | 51.5 | Low | 47 | Very low | 120 Ų | 120 | 142 Ų | 142 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -151.2 | -171.9 | 46.3 | 39.4 | -16.9 | 0 | 0 | 0 | 116.2 | | |
| 98 | S | 40.7 | Very low | 46.7 | Very low | 111 Ų | 111 | 142 Ų | 142 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | 88.3 | 95.5 | 154.3 | -149.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 99 | A | 40.4 | Very low | 46.9 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 65% | 0.653 | 78% | 0.784 | S | S | * | * | | | | 82.2 | 128.2 | 92.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 100 | D | 41 | Very low | 47 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | 80.6 | 116.7 | 168.7 | -54.1 | -30 | 0 | 0 | 0 | 118.4 | | |
| 101 | G | 40.4 | Very low | 46.9 | Very low | 60 Ų | 60 | 141.3 Ų | 141.3 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | | | trans | 102.3 | 75.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116 | H103 | G101-H103 PolarHBondContact O-N 3.09Š|
| 102 | I | 41.1 | Very low | 47 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -67 | 82.9 | 156.6 | -54.9 | 172.6 | 0 | 0 | 0 | 107.4 | L104 | I102-L104 PolarHBondContact O-N 3.03Š|
| 103 | H | 47.4 | Very low | 46.5 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -84.4 | 91.3 | 163 | -83.8 | -75.1 | 0 | 0 | 0 | 107.9 | G101 V105 | G101-H103 PolarHBondContact O-N 3.09Å; H103-V105 HydrophobicContact CB-CG2 4.29Å; H103-V105 PolarHBondContact O-N 2.75Å |
| 104 | L | 46.6 | Very low | 46.7 | Very low | 159 Ų | 159 | 140.7 Ų | 140.7 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -72.4 | 66.2 | 167.3 | -149.5 | 101.9 | 0 | 0 | 0 | 109 | I102 Q106 | I102-L104 PolarHBondContact O-N 3.03Å; L104-Q106 PolarHBondContact O-N 3.24Å |
| 105 | V | 49.1 | Very low | 47 | Very low | 101 Ų | 101 | 143.2 Ų | 143.2 | 61% | 0.612 | 79% | 0.792 | S | S | * | * | | | trans | -86.2 | 100 | 168.6 | -180 | 0 | 0 | 0 | 0 | 106 | H103 Q107 | H103-V105 HydrophobicContact CB-CG2 4.29Å; H103-V105 PolarHBondContact O-N 2.75Å; V105-Q107 HydrophobicContact CG1-CG 4.05Å; V105-Q107 PolarHBondContact O-N 2.89Å |
| 106 | Q | 49.9 | Very low | 47 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -63.2 | 85.7 | 166.7 | -161.5 | 173.3 | 64.3 | 0 | 0 | 107.2 | L104 I108 | L104-Q106 PolarHBondContact O-N 3.24Å; Q106-I108 PolarHBondContact O-N 2.89Å |
| 107 | Q | 46.5 | Very low | 47.1 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | | | trans | -66.4 | 102.3 | 175 | -82.4 | -177.6 | -30.8 | 0 | 0 | 108.1 | V105 P109 | V105-Q107 HydrophobicContact CG1-CG 4.05Å; V105-Q107 PolarHBondContact O-N 2.89Å; Q107-P109 WeakPolarHBondContact O-CD 3.16Å |
| 108 | I | 49.9 | Very low | 47 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 118.5 | 164.1 | -59.2 | 168.6 | 0 | 0 | 0 | 106.2 | Q106 S110 | Q106-I108 PolarHBondContact O-N 2.89Å; I108-S110 PolarHBondContact O-N 3.05Å; I108-S110 VanDerWaalsContact O-N 3.12Å |
| 109 | P | 52.5 | Low | 47.4 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 117.2 | 178.3 | 23.5 | -29.1 | 0 | 0 | 0 | 109.8 | Q107 | Q107-P109 WeakPolarHBondContact O-CD 3.16Š|
| 110 | S | 47.5 | Very low | 47.9 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -53 | 139.6 | 171.8 | -38.5 | 0 | 0 | 0 | 0 | 110.7 | I108 E112 | I108-S110 PolarHBondContact O-N 3.05Å; I108-S110 VanDerWaalsContact O-N 3.12Å; S110-E112 PolarHBondContact O-N 3.29Å |
| 111 | R | 48.6 | Very low | 48.3 | Very low | 253 Ų | 253 | 142.4 Ų | 142.4 | 96% | 0.955 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -73.6 | 28.9 | -165.3 | -156 | 179.3 | 168.6 | 155.9 | -2.4 | 115.4 | | |
| 112 | E | 52.8 | Low | 48.7 | Very low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -141.6 | 72.6 | -169.8 | -66.7 | -175.6 | 172.6 | 0 | 0 | 111.5 | S110 | S110-E112 PolarHBondContact O-N 3.29Š|
| 113 | S | 50.2 | Low | 49 | Very low | 103 Ų | 103 | 150.5 Ų | 150.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | | | trans | -173.5 | 80.5 | 156.7 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | P115 | S113-P115 WeakPolarHBondContact O-CD 3.36Š|
| 114 | L | 50.9 | Low | 48.9 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -90 | 104.5 | 162.8 | -70.2 | 172.2 | 0 | 0 | 0 | 107.3 | A116 | L114-A116 PolarHBondContact O-N 2.88Š|
| 115 | P | 50.4 | Low | 49 | Very low | 119 Ų | 119 | 149.4 Ų | 149.4 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -68.9 | 126.7 | 158.7 | 28.7 | -29.2 | 0 | 0 | 0 | 107.7 | S113 E117 | S113-P115 WeakPolarHBondContact O-CD 3.36Å; P115-E117 PolarHBondContact O-N 2.78Å |
| 116 | A | 43.8 | Very low | 48.9 | Very low | 105 Ų | 105 | 150 Ų | 150 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -63.9 | 91.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L114 | L114-A116 PolarHBondContact O-N 2.88Š|
| 117 | E | 47 | Very low | 49.2 | Very low | 166 Ų | 166 | 147.3 Ų | 147.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -154.1 | 79.4 | 157.4 | -134.6 | 177.2 | -174 | 0 | 0 | 109 | P115 T119 | P115-E117 PolarHBondContact O-N 2.78Å; E117-T119 PolarHBondContact O-N 3.27Å |
| 118 | I | 50.9 | Low | 49.6 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -71.4 | 82.9 | 168.3 | -58.6 | 171.3 | 0 | 0 | 0 | 106.1 | T120 | I118-T120 VanDerWaalsContact C-N 3.29Å; I118-T120 PolarHBondContact O-N 3.01Å |
| 119 | T | 48.1 | Very low | 49.8 | Very low | 113 Ų | 113 | 148.6 Ų | 148.6 | 69% | 0.693 | 80% | 0.8 | S | S | * | * | | | trans | -65 | 100.9 | 158.3 | 26.9 | 0 | 0 | 0 | 0 | 106 | E117 V121 | E117-T119 PolarHBondContact O-N 3.27Å; T119-V121 VanDerWaalsContact C-N 3.3Å; T119-V121 PolarHBondContact O-N 2.85Å |
| 120 | T | 51.4 | Low | 49.9 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | | | trans | -51.6 | 94.5 | 169.9 | 39.9 | 0 | 0 | 0 | 0 | 109.3 | I118 R122 | I118-T120 VanDerWaalsContact C-N 3.29Å; I118-T120 PolarHBondContact O-N 3.01Å; T120-R122 PolarHBondContact O-N 2.97Å |
| 121 | V | 50 | Low | 50.4 | Low | 126 Ų | 126 | 149.3 Ų | 149.3 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -69.3 | 89.8 | 157.2 | -174.4 | 0 | 0 | 0 | 0 | 104.6 | T119 L123 | T119-V121 VanDerWaalsContact C-N 3.3Å; T119-V121 PolarHBondContact O-N 2.85Å; V121-L123 PolarHBondContact O-N 3.08Å |
| 122 | R | 47.4 | Very low | 50.7 | Low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | | | trans | -49.8 | 108.5 | 162.6 | -99.6 | -179.3 | 155.5 | 139.2 | -3.7 | 105.6 | T120 G124 | T120-R122 PolarHBondContact O-N 2.97Å; R122-G124 PolarHBondContact O-N 2.99Å |
| 123 | L | 48.7 | Very low | 50.7 | Low | 163 Ų | 163 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | trans | -56 | 97.4 | 159.2 | -71.9 | 171.7 | 0 | 0 | 0 | 105.1 | V121 R125 | V121-L123 PolarHBondContact O-N 3.08Å; L123-R125 PolarHBondContact O-N 2.94Å |
| 124 | G | 44.5 | Very low | 50.7 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | trans | -51.6 | 118.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | R122 C126 | R122-G124 PolarHBondContact O-N 2.99Å; G124-C126 PolarHBondContact O-N 2.97Å |
| 125 | R | 48.8 | Very low | 50.7 | Low | 241 Ų | 241 | 135.7 Ų | 135.7 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | | | trans | -50.2 | 115.4 | 166 | -73 | -179.5 | 174.9 | 177.7 | -1.6 | 105.2 | L123 P127 | L123-R125 PolarHBondContact O-N 2.94Å; R125-P127 VanDerWaalsContact O-N 3.15Å |
| 126 | C | 47.5 | Very low | 50.6 | Low | 113 Ų | 113 | 132.6 Ų | 132.6 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | | | trans | -45.2 | 128.5 | 166 | -64.7 | 0 | 0 | 0 | 0 | 106.2 | G124 R128 | G124-C126 PolarHBondContact O-N 2.97Å; C126-R128 PolarHBondContact O-N 3.29Å |
| 127 | P | 56 | Low | 51.1 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | | | trans | -54.9 | 111.9 | 177.4 | 21.8 | -30.6 | 0 | 0 | 0 | 106.2 | R125 P129 | R125-P127 VanDerWaalsContact O-N 3.15Å; P127-P129 VanDerWaalsContact O-N 3.1Å |
| 128 | R | 54.2 | Low | 51.3 | Low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | trans | -49.2 | 123 | 169.4 | -173.2 | 179 | -169.9 | -176.8 | 3.2 | 104.4 | C126 L130 | C126-R128 PolarHBondContact O-N 3.29Å; R128-L130 PolarHBondContact O-N 3.43Å |
| 129 | P | 54.6 | Low | 51.4 | Low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | | | trans | -53.7 | 111.4 | -179.8 | 19.7 | -29.9 | 0 | 0 | 0 | 106.1 | P127 A131 | P127-P129 VanDerWaalsContact O-N 3.1Å; P129-A131 PolarHBondContact O-N 3.18Å |
| 130 | L | 55 | Low | 51.4 | Low | 161 Ų | 161 | 133.6 Ų | 133.6 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | | | trans | -54.9 | 117.2 | 170.7 | -81.8 | 162.2 | 0 | 0 | 0 | 103.6 | R128 | R128-L130 PolarHBondContact O-N 3.43Š|
| 131 | A | 56.8 | Low | 51.5 | Low | 79 Ų | 79 | 136.1 Ų | 136.1 | 65% | 0.653 | 70% | 0.699 | S | S | * | * | | | trans | -36.6 | 135.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | P129 T133 | P129-A131 PolarHBondContact O-N 3.18Å; A131-T133 PolarHBondContact O-N 2.85Å |
| 132 | P | 55.7 | Low | 51.8 | Low | 75 Ų | 75 | 134.8 Ų | 134.8 | 49% | 0.487 | 69% | 0.692 | S | S | . | * | | | trans | -42.6 | 105.4 | -168.8 | 18.2 | -33.7 | 0 | 0 | 0 | 108.8 | G134 A136 I137 | P132-G134 PolarHBondContact O-N 3.02Å; P132-G134 VanDerWaalsContact O-N 3.11Å; P132-A136 HydrophobicContact CB-CB 4.09Å; P132-I137 HydrophobicContact CB-CG1 3.94Å; P132-I137 HydrophobicContact CG-CG1 3.89Å; P132-I137 VanDerWaalsContact CG-CD1 3.48Å; P132-I137 HydrophobicContact CG-CD1 3.48Å; P132-I137 HydrophobicContact CB-CD1 3.96Å |
| 133 | T | 53 | Low | 52.1 | Low | 99 Ų | 99 | 131.4 Ų | 131.4 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | | | trans | -47.1 | 127.3 | 171.3 | 31.5 | 0 | 0 | 0 | 0 | 104.2 | A131 W135 A136 | A131-T133 PolarHBondContact O-N 2.85Å; T133-W135 PolarHBondContact O-N 2.79Å; T133-A136 PolarHBondContact O-N 3.12Å |
| 134 | G | 50.8 | Low | 52.4 | Low | 36 Ų | 36 | 129 Ų | 129 | 37% | 0.371 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.8 | 17.7 | -162.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | P132 R138 | P132-G134 PolarHBondContact O-N 3.02Å; P132-G134 VanDerWaalsContact O-N 3.11Å; G134-R138 PolarHBondContact O-NE 2.84Å; G134-R138 PolarHBondContact O-NH2 3.31Å |
| 135 | W | 49.5 | Very low | 53 | Low | 217 Ų | 217 | 134.2 Ų | 134.2 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -35.7 | 167.6 | -63.8 | 69.2 | 0 | 0 | 0 | 111.6 | T133 R138 | T133-W135 PolarHBondContact O-N 2.79Å; W135-R138 PolarHBondContact O-N 3.35Å |
| 136 | A | 49.8 | Very low | 53.4 | Low | 54 Ų | 54 | 132.6 Ų | 132.6 | 45% | 0.446 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -72.6 | -32.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P132 T133 R138 | P132-A136 HydrophobicContact CB-CB 4.09Å; T133-A136 PolarHBondContact O-N 3.12Å; A136-R138 VanDerWaalsContact C-N 3.33Å |
| 137 | I | 52.3 | Low | 53.8 | Low | 104 Ų | 104 | 130.6 Ų | 130.6 | 53% | 0.533 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -75.6 | -22.9 | 175.4 | -66.2 | 162.4 | 0 | 0 | 0 | 111.9 | P132 | P132-I137 HydrophobicContact CB-CG1 3.94Å; P132-I137 HydrophobicContact CG-CG1 3.89Å; P132-I137 VanDerWaalsContact CG-CD1 3.48Å; P132-I137 HydrophobicContact CG-CD1 3.48Å; P132-I137 HydrophobicContact CB-CD1 3.96Å |
| 138 | R | 51.6 | Low | 53.9 | Low | 176 Ų | 176 | 136.4 Ų | 136.4 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75 | -26.6 | 177.5 | -83.1 | -175.9 | -109.9 | -132.2 | -1.9 | 113.1 | G134 W135 A136 T142 | G134-R138 PolarHBondContact O-NE 2.84Å; G134-R138 PolarHBondContact O-NH2 3.31Å; W135-R138 PolarHBondContact O-N 3.35Å; A136-R138 VanDerWaalsContact C-N 3.33Å; R138-T142 PolarHBondContact O-OG1 3.46Å |
| 139 | A | 52.7 | Low | 53.6 | Low | 54 Ų | 54 | 140.7 Ų | 140.7 | 45% | 0.446 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -73.9 | -27.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | T142 | A139-T142 PolarHBondContact O-OG1 2.82Å |
| 140 | W | 50 | Low | 53.6 | Low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.879 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -88.3 | -17.3 | 178.4 | -83.3 | 41.5 | 0 | 0 | 0 | 113.5 | | |
| 141 | K | 51.5 | Low | 53.5 | Low | 171 Ų | 171 | 140.9 Ų | 140.9 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -85.9 | -16.5 | 177.9 | -159.4 | 165.3 | -176.6 | 175.6 | 0 | 113.7 | | |
| 142 | T | 58 | Low | 53.3 | Low | 98 Ų | 98 | 144.4 Ų | 144.4 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92 | -14.7 | -179.2 | 49.7 | 0 | 0 | 0 | 0 | 114.4 | R138 A139 | R138-T142 PolarHBondContact O-OG1 3.46Å; A139-T142 PolarHBondContact O-OG1 2.82Å |
| 143 | M | 52.6 | Low | 53.2 | Low | 161 Ų | 161 | 148.5 Ų | 148.5 | 79% | 0.793 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -91.1 | -11.7 | 177.3 | -65.9 | -175 | 78.8 | 0 | 0 | 113.8 | | |
| 144 | S | 55.6 | Low | 53.2 | Low | 113 Ų | 113 | 151.6 Ų | 151.6 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 30.5 | 177.7 | -154.1 | 0 | 0 | 0 | 0 | 113 | | |
| 145 | Q | 57.4 | Low | 53.4 | Low | 170 Ų | 170 | 159.3 Ų | 159.3 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 6.3 | 175 | -126.8 | 178.5 | 1.4 | 0 | 0 | 113.4 | | |
| 146 | F | 55.8 | Low | 53.7 | Low | 208 Ų | 208 | 155.1 Ų | 155.1 | 91% | 0.912 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -98.4 | 14.2 | 178.7 | -117.8 | -86.9 | 0 | 0 | 0 | 114.3 | | |
| 147 | G | 56.1 | Low | 53.9 | Low | 70 Ų | 70 | 162.9 Ų | 162.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -127.2 | 19.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 148 | R | 59.2 | Low | 54.1 | Low | 244 Ų | 244 | 167.8 Ų | 167.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -139.9 | 40.4 | 175.3 | -69.2 | -164.2 | -170.2 | -159.5 | 3.5 | 113.3 | | |
| 149 | R | 48.6 | Very low | 54.3 | Low | 317 Ų | 317 | 167.1 Ų | 167.1 | 100% | 1.196 | 80% | 0.8 | S | S | * | * | | | trans | -139.6 | 0 | 162.8 | -76.8 | -168.2 | 178.6 | -167.5 | -0.7 | 109.2 | | |