| 1 | M | 40.3 | Very low | 58 | Low | 240 Ų | 240 | 166.7 Ų | 166.7 | 100% | 1.182 | 82% | 0.823 | S | S | * | * | | | | 0 | 142.2 | 0 | -66.9 | -178.3 | 177.2 | 0 | 0 | 107.6 | | |
| 2 | S | 58.2 | Low | 57.5 | Low | 105 Ų | 105 | 169.7 Ų | 169.7 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | | | cis | -165.9 | 166.1 | -17 | -70.9 | 0 | 0 | 0 | 0 | 106 | | |
| 3 | L | 53.5 | Low | 57 | Low | 146 Ų | 146 | 175.2 Ų | 175.2 | 76% | 0.764 | 84% | 0.839 | S | S | * | * | | | cis | -147.1 | 165.9 | 8.1 | -164.9 | 64.2 | 0 | 0 | 0 | 109.8 | | |
| 4 | H | 59.8 | Low | 56.7 | Low | 149 Ų | 149 | 176.1 Ų | 176.1 | 69% | 0.69 | 84% | 0.841 | S | S | * | * | | | trans | -65.7 | 157.4 | 166.7 | -42.1 | -79.8 | 0 | 0 | 0 | 112.6 | | |
| 5 | R | 59.6 | Low | 56.2 | Low | 228 Ų | 228 | 176 Ų | 176 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | | | | -161 | 136.9 | 118.2 | -113.3 | 169.4 | -171.4 | -136.1 | -1.9 | 116.3 | | |
| 6 | H | 65.5 | Low | 55.7 | Low | 159 Ų | 159 | 172.6 Ų | 172.6 | 74% | 0.736 | 84% | 0.84 | S | S | * | * | | | trans | -78 | 158.3 | 172 | -40.6 | -100.4 | 0 | 0 | 0 | 111.4 | | |
| 7 | R | 64.5 | Low | 55.1 | Low | 229 Ų | 229 | 172 Ų | 172 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | | | trans | -169.8 | 112.1 | 131.7 | -108.8 | 167.1 | -178.9 | -168.3 | -2.7 | 115.1 | | |
| 8 | S | 70.3 | Confident | 54.7 | Low | 114 Ų | 114 | 172.1 Ų | 172.1 | 80% | 0.797 | 85% | 0.847 | S | S | * | * | | | | 48.8 | 126.6 | 128.4 | -47.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 9 | H | 54.2 | Low | 54.4 | Low | 181 Ų | 181 | 171.5 Ų | 171.5 | 84% | 0.838 | 85% | 0.847 | S | S | * | * | | | trans | -51.2 | 164.8 | 166.1 | -52.5 | -82.8 | 0 | 0 | 0 | 119.4 | | |
| 10 | S | 56.5 | Low | 54.4 | Low | 118 Ų | 118 | 173.6 Ų | 173.6 | 83% | 0.825 | 85% | 0.851 | S | S | * | * | | | trans | -156.1 | 165.9 | 134.4 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 11 | H | 56.2 | Low | 54.1 | Low | 165 Ų | 165 | 172.4 Ų | 172.4 | 76% | 0.764 | 85% | 0.849 | S | S | * | * | | | trans | -120.5 | 170.9 | -177 | -56.7 | -93.6 | 0 | 0 | 0 | 111.4 | | |
| 12 | H | 51.9 | Low | 53.9 | Low | 202 Ų | 202 | 164.2 Ų | 164.2 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | | | trans | -174.2 | 179.6 | 145.6 | -88.1 | -42.8 | 0 | 0 | 0 | 114.4 | | |
| 13 | R | 50.8 | Low | 52.9 | Low | 242 Ų | 242 | 168.3 Ų | 168.3 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | | | trans | -138.2 | 156.2 | -167.1 | -55.5 | 172.4 | 172.6 | -179.2 | -4.2 | 113.4 | | |
| 14 | H | 52.5 | Low | 52.5 | Low | 187 Ų | 187 | 173 Ų | 173 | 87% | 0.866 | 84% | 0.838 | S | S | * | * | | | trans | -172.3 | 167.6 | 143.9 | -141.1 | -90.2 | 0 | 0 | 0 | 115.9 | | |
| 15 | E | 48.7 | Very low | 51.7 | Low | 175 Ų | 175 | 170.8 Ų | 170.8 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | | | trans | -120.1 | 162.7 | 178 | -58 | 172.5 | 159.6 | 0 | 0 | 112.9 | | |
| 16 | S | 48.2 | Very low | 50.9 | Low | 122 Ų | 122 | 168 Ų | 168 | 85% | 0.853 | 84% | 0.841 | S | S | * | * | | | trans | 172.1 | 144.3 | 154 | -94.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 17 | D | 46.8 | Very low | 49.5 | Very low | 162 Ų | 162 | 163.8 Ų | 163.8 | 87% | 0.866 | 84% | 0.84 | S | S | * | * | | | trans | -120.8 | 154 | 168.9 | -71.1 | -56.7 | 0 | 0 | 0 | 111.1 | | |
| 18 | D | 47.8 | Very low | 48.5 | Very low | 174 Ų | 174 | 159.3 Ų | 159.3 | 93% | 0.93 | 83% | 0.833 | S | S | * | * | | | trans | -174.3 | 143.9 | 156 | -104.7 | -33.2 | 0 | 0 | 0 | 115 | | |
| 19 | D | 47.9 | Very low | 47.2 | Very low | 160 Ų | 160 | 158 Ų | 158 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | trans | -106.1 | 148 | 179.5 | -89.1 | -56.2 | 0 | 0 | 0 | 113 | | |
| 20 | F | 54.2 | Low | 46.6 | Very low | 213 Ų | 213 | 159.2 Ų | 159.2 | 93% | 0.934 | 82% | 0.821 | S | S | * | * | | | trans | -148.9 | 133.2 | 167.3 | -140.1 | -96 | 0 | 0 | 0 | 114.3 | | |
| 21 | D | 48.4 | Very low | 45.8 | Very low | 150 Ų | 150 | 159.1 Ų | 159.1 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | | | trans | -85.1 | 156.1 | -175 | -171.5 | 14.5 | 0 | 0 | 0 | 113 | | |
| 22 | G | 36.3 | Very low | 45.2 | Very low | 68 Ų | 68 | 160.8 Ų | 160.8 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 172 | 57.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 23 | K | 38 | Very low | 44.6 | Very low | 190 Ų | 190 | 156.9 Ų | 156.9 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | | | trans | -82.6 | 148.6 | 159 | -70.9 | -166.3 | -179.6 | -177.6 | 0 | 110.6 | | |
| 24 | R | 44.9 | Very low | 44.3 | Very low | 245 Ų | 245 | 150.5 Ų | 150.5 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | | | trans | 88.5 | 145.7 | -170.1 | -57.1 | 169.9 | -153.7 | -166 | 7.2 | 112 | | |
| 25 | S | 43 | Very low | 44 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | cis | -160.2 | 161.9 | -15.1 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 26 | L | 42.9 | Very low | 43.5 | Very low | 170 Ų | 170 | 144 Ų | 144 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | | | trans | -31.2 | 131.6 | 167.1 | -59.6 | 161 | 0 | 0 | 0 | 115.5 | | |
| 27 | G | 35.4 | Very low | 43.4 | Very low | 70 Ų | 70 | 144.3 Ų | 144.3 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | 96.8 | 148.1 | 145 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 28 | D | 43.3 | Very low | 42.9 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | 63.8 | 58.6 | 156.6 | -137.9 | 13.9 | 0 | 0 | 0 | 118.4 | | |
| 29 | S | 44.4 | Very low | 42.6 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | trans | -153.6 | 112 | 152.3 | -63 | 0 | 0 | 0 | 0 | 108 | | |
| 30 | R | 40.3 | Very low | 42 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | | | cis | 55.2 | 115 | 15.6 | -81.7 | -177 | 163.6 | 161.8 | -4.5 | 113.5 | R32 | R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.38Å; R30-R32 VanDerWaalsContact O-N 3.14Å |
| 31 | S | 39.7 | Very low | 41.7 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 48.5 | 42.9 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 32 | R | 44.3 | Very low | 41.6 | Very low | 200 Ų | 200 | 126.9 Ų | 126.9 | 76% | 0.755 | 69% | 0.686 | S | S | * | * | | | trans | -127.1 | 116.4 | 146 | -83.2 | 178.9 | 164.4 | 152.4 | -5.8 | 105.7 | R30 | R30-R32 VanDerWaalsContact C-N 3.31Å; R30-R32 PolarHBondContact O-N 3.38Å; R30-R32 VanDerWaalsContact O-N 3.14Å |
| 33 | L | 39.1 | Very low | 42 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | | | cis | 51.2 | 68.1 | 47.8 | -45.3 | 178 | 0 | 0 | 0 | 107.6 | D35 | L33-D35 WeakPolarHBondContact CD2-OD1 3.27Š|
| 34 | S | 43.4 | Very low | 42.2 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 67% | 0.667 | S | S | * | * | | | cis | -63.1 | 109.7 | 46.9 | 33 | 0 | 0 | 0 | 0 | 115.2 | T36 | S34-T36 VanDerWaalsContact C-N 3.32Š|
| 35 | D | 47 | Very low | 42.1 | Very low | 106 Ų | 106 | 120.2 Ų | 120.2 | 57% | 0.567 | 66% | 0.659 | S | S | * | * | | | | 42.3 | 67.2 | 50.9 | -54.6 | -38.7 | 0 | 0 | 0 | 107.3 | L33 | L33-D35 WeakPolarHBondContact CD2-OD1 3.27Š|
| 36 | T | 39.3 | Very low | 42.3 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 73% | 0.73 | 67% | 0.669 | S | S | * | * | S | Bend | | 54.7 | 121.7 | 104.9 | 60.1 | 0 | 0 | 0 | 0 | 111.4 | S34 | S34-T36 VanDerWaalsContact C-N 3.32Š|
| 37 | D | 44.8 | Very low | 42.7 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 70% | 0.695 | 66% | 0.661 | S | S | * | * | | | trans | 67 | 61.5 | 144.7 | -144.7 | 41.7 | 0 | 0 | 0 | 116.1 | G39 | D37-G39 VanDerWaalsContact CA-N 3.26Å; D37-G39 PolarHBondContact O-N 2.98Å; D37-G39 WeakPolarHBondContact OD1-CA 3.49Å; D37-G39 PolarHBondContact OD1-N 3.22Å |
| 38 | T | 37.4 | Very low | 43.3 | Very low | 67 Ų | 67 | 132.3 Ų | 132.3 | 41% | 0.411 | 67% | 0.672 | S | S | . | * | | | | -73.2 | 70.4 | 119.4 | 62.2 | 0 | 0 | 0 | 0 | 107.4 | R45 | T38-R45 PolarHBondContact OG1-NE 3.44Å; T38-R45 PolarHBondContact OG1-NH2 2.96Å |
| 39 | G | 41.1 | Very low | 43.8 | Very low | 15 Ų | 15 | 132.7 Ų | 132.7 | 16% | 0.155 | 67% | 0.674 | C | S | . | * | | | trans | -55.3 | 151.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | D37 S41 | D37-G39 VanDerWaalsContact CA-N 3.26Å; D37-G39 PolarHBondContact O-N 2.98Å; D37-G39 WeakPolarHBondContact OD1-CA 3.49Å; D37-G39 PolarHBondContact OD1-N 3.22Å; G39-S41 CarbonylContact O-C 3.18Å; G39-S41 VanDerWaalsContact O-O 3.1Å |
| 40 | Y | 35.8 | Very low | 44.1 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 60% | 0.6 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -83 | 116.4 | 139.4 | -97.6 | -98.3 | 0 | 0 | 0 | 105.9 | E42 S43 S44 | Y40-E42 HydrophobicContact CD1-CB 4.41Å; Y40-E42 VanDerWaalsContact CD1-N 3.33Å; Y40-E42 WeakPolarHBondContact CD1-OE1 3.27Å; Y40-E42 VanDerWaalsContact CE1-CA 3.41Å; Y40-E42 HydrophobicContact CE1-CB 4.45Å; Y40-S43 VanDerWaalsContact CZ-C 3.45Å; Y40-S43 WeakPolarHBondContact OH-CA 3.13Å; Y40-S44 VanDerWaalsContact CZ-N 3.31Å; Y40-S44 PolarHBondContact OH-N 3.35Å |
| 41 | S | 46.7 | Very low | 44.5 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 68% | 0.684 | S | S | * | * | S | Bend | cis | 38.6 | 40.9 | -21.9 | -53.2 | 0 | 0 | 0 | 0 | 121.2 | G39 | G39-S41 CarbonylContact O-C 3.18Å; G39-S41 VanDerWaalsContact O-O 3.1Å |
| 42 | E | 47.6 | Very low | 45 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | S | Bend | trans | 54.5 | 46.4 | 159.6 | -55.9 | -61.2 | 117.6 | 0 | 0 | 121.8 | Y40 | Y40-E42 HydrophobicContact CD1-CB 4.41Å; Y40-E42 VanDerWaalsContact CD1-N 3.33Å; Y40-E42 WeakPolarHBondContact CD1-OE1 3.27Å; Y40-E42 VanDerWaalsContact CE1-CA 3.41Å; Y40-E42 HydrophobicContact CE1-CB 4.45Å |
| 43 | S | 43.5 | Very low | 45.7 | Very low | 60 Ų | 60 | 137.5 Ų | 137.5 | 42% | 0.42 | 69% | 0.685 | S | S | . | * | | | trans | -165.6 | 127.9 | 150.5 | 38.6 | 0 | 0 | 0 | 0 | 120.9 | Y40 | Y40-S43 VanDerWaalsContact CZ-C 3.45Å; Y40-S43 WeakPolarHBondContact OH-CA 3.13Å |
| 44 | S | 42 | Very low | 46.3 | Very low | 100 Ų | 100 | 142.6 Ų | 142.6 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | | | trans | 17.9 | 99.5 | 171.3 | -163.6 | 0 | 0 | 0 | 0 | 123.6 | Y40 | Y40-S44 VanDerWaalsContact CZ-N 3.31Å; Y40-S44 PolarHBondContact OH-N 3.35Å |
| 45 | R | 42.4 | Very low | 46.6 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 77% | 0.766 | 69% | 0.689 | S | S | * | * | | | trans | -154 | 71.1 | 152.2 | -66 | -164.1 | -171.1 | 174.1 | 7.4 | 116.4 | T38 | T38-R45 PolarHBondContact OG1-NE 3.44Å; T38-R45 PolarHBondContact OG1-NH2 2.96Å |
| 46 | R | 49.2 | Very low | 46.7 | Very low | 243 Ų | 243 | 142.8 Ų | 142.8 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -138 | 134.5 | 154.5 | -110.2 | -179.2 | -178.7 | 171.7 | 1.3 | 111.4 | | |
| 47 | S | 50.8 | Low | 47.5 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | | | trans | 45.9 | 85.9 | 177.8 | 59.1 | 0 | 0 | 0 | 0 | 117.7 | N49 | S47-N49 PolarHBondContact O-N 3.39Š|
| 48 | R | 48.3 | Very low | 47.8 | Very low | 250 Ų | 250 | 144.7 Ų | 144.7 | 94% | 0.943 | 70% | 0.695 | S | S | * | * | | | trans | -67.3 | 67.3 | 144 | -76.1 | -178.4 | 171.3 | 137.3 | -4.1 | 110.3 | | |
| 49 | N | 52.9 | Low | 48.4 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | | | trans | -83.9 | 115 | 157.3 | -94.3 | 11.6 | 0 | 0 | 0 | 107.2 | S47 H51 | S47-N49 PolarHBondContact O-N 3.39Å; N49-H51 PolarHBondContact O-N 3.44Å |
| 50 | K | 49.8 | Very low | 49 | Very low | 201 Ų | 201 | 154 Ų | 154 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | | | trans | -70.7 | 71.8 | 177.7 | -65.2 | -178.2 | 179.6 | -179.6 | 0 | 110.2 | K52 | K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 2.92Å |
| 51 | H | 49.2 | Very low | 49.6 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 73% | 0.731 | 72% | 0.721 | S | S | * | * | | | trans | -67.6 | 101.1 | 158.9 | -131.1 | -59.7 | 0 | 0 | 0 | 106.4 | N49 H53 | N49-H51 PolarHBondContact O-N 3.44Å; H51-H53 VanDerWaalsContact C-N 3.26Å; H51-H53 PolarHBondContact O-CD2 3.17Å; H51-H53 PolarHBondContact O-N 3.45Å |
| 52 | K | 50.8 | Low | 49.8 | Very low | 185 Ų | 185 | 151.5 Ų | 151.5 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | | | trans | -62.1 | 98.9 | 163.5 | -71.6 | -179.2 | 176.5 | -177.9 | 0 | 105.7 | K50 R54 | K50-K52 VanDerWaalsContact C-N 3.3Å; K50-K52 PolarHBondContact O-N 2.92Å; K52-R54 PolarHBondContact O-N 3.31Å |
| 53 | H | 58.5 | Low | 50.1 | Low | 166 Ų | 166 | 153.5 Ų | 153.5 | 77% | 0.769 | 72% | 0.723 | S | S | * | * | | | trans | -59.9 | 109.8 | 158.5 | -69.2 | -86.7 | 0 | 0 | 0 | 105 | H51 S55 | H51-H53 VanDerWaalsContact C-N 3.26Å; H51-H53 PolarHBondContact O-CD2 3.17Å; H51-H53 PolarHBondContact O-N 3.45Å; H53-S55 PolarHBondContact O-N 3.47Å |
| 54 | R | 51.3 | Low | 50.7 | Low | 227 Ų | 227 | 156.2 Ų | 156.2 | 86% | 0.857 | 73% | 0.728 | S | S | * | * | | | trans | -61.4 | 125.3 | 161 | -70.1 | -179.9 | 173.2 | 119.7 | -5 | 104.3 | K52 D56 | K52-R54 PolarHBondContact O-N 3.31Å; R54-D56 PolarHBondContact O-N 3.22Å; R54-D56 VanDerWaalsContact O-N 3.09Å |
| 55 | S | 49.8 | Very low | 51.2 | Low | 86 Ų | 86 | 158.9 Ų | 158.9 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | trans | -59.5 | 117.3 | 177 | -29 | 0 | 0 | 0 | 0 | 108.4 | H53 D57 | H53-S55 PolarHBondContact O-N 3.47Å; S55-D57 WeakPolarHBondContact CB-OD2 3.28Å; S55-D57 PolarHBondContact O-N 2.94Å; S55-D57 PolarHBondContact OG-OD2 3.19Å |
| 56 | D | 50 | Low | 51.6 | Low | 131 Ų | 131 | 152.1 Ų | 152.1 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | -78.1 | 35.7 | 167.1 | -80.7 | -38.1 | 0 | 0 | 0 | 110.2 | R54 E58 K59 | R54-D56 PolarHBondContact O-N 3.22Å; R54-D56 VanDerWaalsContact O-N 3.09Å; D56-E58 PolarHBondContact O-N 3.41Å; D56-K59 PolarHBondContact O-N 3.4Å |
| 57 | D | 55.3 | Low | 51.9 | Low | 117 Ų | 117 | 149.8 Ų | 149.8 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -57.4 | -24.6 | -175.9 | -74.8 | -24.1 | 0 | 0 | 0 | 112.3 | S55 K59 | S55-D57 WeakPolarHBondContact CB-OD2 3.28Å; S55-D57 PolarHBondContact O-N 2.94Å; S55-D57 PolarHBondContact OG-OD2 3.19Å; D57-K59 VanDerWaalsContact C-N 3.32Å; D57-K59 PolarHBondContact O-N 3.43Å |
| 58 | E | 51.4 | Low | 52 | Low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.804 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -72.7 | -20.6 | 177.5 | -58.8 | -159.6 | 157.3 | 0 | 0 | 113.6 | D56 | D56-E58 PolarHBondContact O-N 3.41Å |
| 59 | K | 50.8 | Low | 52.1 | Low | 160 Ų | 160 | 148.1 Ų | 148.1 | 70% | 0.696 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -94.4 | -29.1 | -179.8 | -72 | -161.9 | 176.9 | -179 | 0 | 114.6 | D56 D57 Y63 | D56-K59 PolarHBondContact O-N 3.4Å; D57-K59 VanDerWaalsContact C-N 3.32Å; D57-K59 PolarHBondContact O-N 3.43Å; K59-Y63 WeakPolarHBondContact O-CD2 3.44Å |
| 60 | E | 52.8 | Low | 52.1 | Low | 118 Ų | 118 | 150.8 Ų | 150.8 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -83.7 | -32.8 | -179.4 | -153.1 | -175.3 | 148 | 0 | 0 | 113.1 | L62 Y63 K64 | E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 2.95Å; E60-Y63 PolarHBondContact O-N 3.14Å; E60-K64 WeakPolarHBondContact OE1-CE 3.24Å; E60-K64 IonicContact OE1-NZ 2.6Å; E60-K64 PolarHBondContact OE1-NZ 2.8Å |
| 61 | S | 47.9 | Very low | 52.5 | Low | 65 Ų | 65 | 147.9 Ų | 147.9 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -57.9 | -36.4 | -179.9 | -174 | 0 | 0 | 0 | 0 | 113.2 | Y63 K64 H65 | S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact O-N 3.04Å; S61-K64 PolarHBondContact O-N 2.78Å; S61-H65 PolarHBondContact O-CD2 3.13Å |
| 62 | L | 51.4 | Low | 52.9 | Low | 135 Ų | 135 | 151.5 Ų | 151.5 | 71% | 0.707 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -62.5 | -29.3 | 179.7 | -79.3 | 162.7 | 0 | 0 | 0 | 114.1 | E60 | E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 2.95Å |
| 63 | Y | 54.6 | Low | 53.1 | Low | 199 Ų | 199 | 146.5 Ų | 146.5 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -90.8 | -27.8 | -177.6 | -69 | -75.3 | 0 | 0 | 0 | 113.5 | K59 E60 S61 | K59-Y63 WeakPolarHBondContact O-CD2 3.44Å; E60-Y63 PolarHBondContact O-N 3.14Å; S61-Y63 VanDerWaalsContact C-N 3.29Å; S61-Y63 PolarHBondContact O-N 3.04Å |
| 64 | K | 55.2 | Low | 53 | Low | 118 Ų | 118 | 144 Ų | 144 | 51% | 0.513 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -73.4 | -35.6 | -178.8 | -78.6 | 173.5 | 169.4 | 165.3 | 0 | 113.3 | E60 S61 H68 | E60-K64 WeakPolarHBondContact OE1-CE 3.24Å; E60-K64 IonicContact OE1-NZ 2.6Å; E60-K64 PolarHBondContact OE1-NZ 2.8Å; S61-K64 PolarHBondContact O-N 2.78Å; K64-H68 PolarHBondContact O-CD2 3.03Å |
| 65 | H | 52.8 | Low | 53.1 | Low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.718 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -86 | -7.4 | -176.1 | -65.4 | -62 | 0 | 0 | 0 | 115.5 | S61 | S61-H65 PolarHBondContact O-CD2 3.13Š|
| 66 | G | 51.3 | Low | 53.4 | Low | 61 Ų | 61 | 147.6 Ų | 147.6 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -75.2 | -32.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 67 | K | 55.4 | Low | 53.8 | Low | 194 Ų | 194 | 149.6 Ų | 149.6 | 84% | 0.843 | 70% | 0.697 | S | S | * | * | | | trans | -141.9 | 24.7 | -164.9 | -69.3 | -173.7 | -179 | 172.8 | 0 | 117 | R69 | K67-R69 PolarHBondContact O-N 2.85Š|
| 68 | H | 53.5 | Low | 53.5 | Low | 165 Ų | 165 | 148 Ų | 148 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | | | trans | -74.5 | 35 | 165.9 | -71.7 | -58.4 | 0 | 0 | 0 | 114.2 | K64 | K64-H68 PolarHBondContact O-CD2 3.03Š|
| 69 | R | 49.4 | Very low | 53.4 | Low | 154 Ų | 154 | 148.5 Ų | 148.5 | 58% | 0.581 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -87.6 | 116 | 161.1 | -78.4 | -177.8 | 70.3 | 164.7 | -5.7 | 107.5 | K67 D73 E77 | K67-R69 PolarHBondContact O-N 2.85Å; R69-D73 PolarHBondContact NH2-O 2.88Å; R69-E77 IonicContact NH1-OE1 3.73Å |
| 70 | R | 53.7 | Low | 53.3 | Low | 199 Ų | 199 | 144.3 Ų | 144.3 | 75% | 0.751 | 69% | 0.69 | S | S | * | * | | | trans | -57 | 149.2 | -177.7 | -65.9 | 177.6 | 170.2 | 94.7 | -0.9 | 109.2 | R72 D73 | R70-R72 PolarHBondContact O-N 2.84Å; R70-D73 PolarHBondContact O-N 2.86Å |
| 71 | V | 58 | Low | 53 | Low | 141 Ų | 141 | 150.3 Ų | 150.3 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -53 | -24.1 | -172.9 | -175.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 72 | R | 56.5 | Low | 53.1 | Low | 233 Ų | 233 | 151.6 Ų | 151.6 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -81.1 | -19.4 | 176.8 | -60.9 | -174.9 | -176.2 | 120.2 | 1.6 | 114.9 | R70 V74 | R70-R72 PolarHBondContact O-N 2.84Å; R72-V74 VanDerWaalsContact C-N 3.3Å |
| 73 | D | 55.8 | Low | 52.9 | Low | 80 Ų | 80 | 152.5 Ų | 152.5 | 43% | 0.428 | 72% | 0.723 | S | S | . | * | G | 310 helix | trans | -89.9 | 5.8 | -176.9 | -59.4 | -40.7 | 0 | 0 | 0 | 113 | R69 R70 K75 | R69-D73 PolarHBondContact NH2-O 2.88Å; R70-D73 PolarHBondContact O-N 2.86Å; D73-K75 PolarHBondContact O-N 3.28Å |
| 74 | V | 56.6 | Low | 52.4 | Low | 114 Ų | 114 | 151.7 Ų | 151.7 | 69% | 0.691 | 72% | 0.723 | S | S | * | * | | | trans | -78.4 | 51.6 | 165.7 | -163.1 | 0 | 0 | 0 | 0 | 109.7 | R72 R76 | R72-V74 VanDerWaalsContact C-N 3.3Å; V74-R76 PolarHBondContact O-N 3.18Å |
| 75 | K | 53.5 | Low | 51.8 | Low | 182 Ų | 182 | 156.1 Ų | 156.1 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | -67.9 | 100 | 161.5 | -81.7 | -173.8 | 176.9 | 178.3 | 0 | 107.5 | D73 E77 | D73-K75 PolarHBondContact O-N 3.28Å; K75-E77 PolarHBondContact O-N 2.88Å; K75-E77 VanDerWaalsContact O-N 3.11Å |
| 76 | R | 56 | Low | 51.3 | Low | 206 Ų | 206 | 153.3 Ų | 153.3 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | | | trans | 9.6 | 89.1 | 158.8 | -81 | 176.3 | -90.9 | 134.5 | -7.3 | 114.5 | V74 D78 | V74-R76 PolarHBondContact O-N 3.18Å; R76-D78 HydrophobicContact CB-CB 4.21Å; R76-D78 WeakPolarHBondContact CD-OD2 3.19Å; R76-D78 WeakPolarHBondContact CG-OD2 3.49Å; R76-D78 PolarHBondContact O-N 2.83Å |
| 77 | E | 58.6 | Low | 51 | Low | 173 Ų | 173 | 155.7 Ų | 155.7 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | | | trans | -79 | 66.9 | 142.4 | -71.9 | -179.8 | -135.6 | 0 | 0 | 106.6 | R69 K75 K79 | R69-E77 IonicContact NH1-OE1 3.73Å; K75-E77 PolarHBondContact O-N 2.88Å; K75-E77 VanDerWaalsContact O-N 3.11Å; E77-K79 PolarHBondContact O-N 2.8Å |
| 78 | D | 49.3 | Very low | 50.6 | Low | 83 Ų | 83 | 152.8 Ų | 152.8 | 44% | 0.444 | 75% | 0.745 | S | S | . | * | | | trans | -62 | 125.2 | 169.2 | -116.5 | -51.9 | 0 | 0 | 0 | 107.6 | R76 | R76-D78 HydrophobicContact CB-CB 4.21Å; R76-D78 WeakPolarHBondContact CD-OD2 3.19Å; R76-D78 WeakPolarHBondContact CG-OD2 3.49Å; R76-D78 PolarHBondContact O-N 2.83Å |
| 79 | K | 49.1 | Very low | 50 | Low | 184 Ų | 184 | 150.8 Ų | 150.8 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 53.9 | 112.2 | 145 | -61.2 | 169.9 | -179.1 | 110.9 | 0 | 117.7 | E77 | E77-K79 PolarHBondContact O-N 2.8Š|
| 80 | G | 48.2 | Very low | 49.8 | Very low | 71 Ų | 71 | 148.3 Ų | 148.3 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | | | trans | 102.4 | 80.8 | 132.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 81 | R | 47.2 | Very low | 48.9 | Very low | 244 Ų | 244 | 144.4 Ų | 144.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | | | trans | -105.5 | 95.1 | 132.3 | -72.5 | -172.2 | -178.2 | 164.6 | 3.4 | 108.2 | D83 | R81-D83 PolarHBondContact O-N 2.74Å; R81-D83 VanDerWaalsContact O-N 3.12Å |
| 82 | S | 49.2 | Very low | 48.2 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | -74.4 | 88.4 | 173 | 42.1 | 0 | 0 | 0 | 0 | 109.3 | K84 | S82-K84 PolarHBondContact O-N 3.42Š|
| 83 | D | 47.2 | Very low | 47.8 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | -68.9 | 94.7 | 159.6 | -71.9 | -25.5 | 0 | 0 | 0 | 107.5 | R81 K85 | R81-D83 PolarHBondContact O-N 2.74Å; R81-D83 VanDerWaalsContact O-N 3.12Å; D83-K85 PolarHBondContact O-N 3.21Å |
| 84 | K | 44.6 | Very low | 47.1 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -57.3 | 123.8 | -176.5 | -64.7 | 172.6 | -177 | 173 | 0 | 108.9 | S82 S86 | S82-K84 PolarHBondContact O-N 3.42Å; K84-S86 PolarHBondContact O-N 2.82Å |
| 85 | K | 41.2 | Very low | 46 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | trans | -70.9 | 115.6 | 172.7 | -50.2 | 177.4 | -173.1 | -178.4 | 0 | 109 | D83 | D83-K85 PolarHBondContact O-N 3.21Š|
| 86 | S | 42.5 | Very low | 45.4 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | | | trans | -161.3 | 88 | 160.9 | 55.8 | 0 | 0 | 0 | 0 | 109.1 | K84 | K84-S86 PolarHBondContact O-N 2.82Š|
| 87 | S | 46.6 | Very low | 44.7 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | | 67.2 | 94.4 | 87.8 | 71.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 88 | V | 45 | Very low | 44.1 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -67.4 | 124 | 162.7 | 173.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 89 | T | 41.3 | Very low | 43.6 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 60.3 | 145.9 | 165.8 | 58.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 90 | S | 46.3 | Very low | 43.6 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | | | cis | -166.9 | 115.8 | -8.7 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 91 | S | 35.2 | Very low | 43.5 | Very low | 117 Ų | 117 | 145.5 Ų | 145.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -171.5 | 147.4 | 161 | -80.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 92 | P | 41.9 | Very low | 43.3 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 160.3 | 177 | 29.3 | -34.4 | 0 | 0 | 0 | 111.8 | G94 | P92-G94 PolarHBondContact O-N 3.12Š|
| 93 | P | 49 | Very low | 43.1 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | | | trans | -70.9 | 127.2 | -164.4 | 27.8 | -35.4 | 0 | 0 | 0 | 113.2 | | |
| 94 | G | 40.1 | Very low | 42.7 | Very low | 67 Ų | 67 | 142.4 Ų | 142.4 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | -157.9 | 106.4 | 180 | 0 | 0 | 0 | 0 | 0 | 115.2 | P92 | P92-G94 PolarHBondContact O-N 3.12Š|
| 95 | Q | 34.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 138.6 Ų | 138.6 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | 67.2 | 104 | 154 | -49.3 | -56.9 | -0.4 | 0 | 0 | 121.2 | Y97 | Q95-Y97 HydrophobicContact CB-CD2 4.26Å; Q95-Y97 VanDerWaalsContact OE1-CE2 3.25Å |
| 96 | L | 40.7 | Very low | 42.6 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | | | trans | -91.8 | 79 | 166.7 | -79 | 163.2 | 0 | 0 | 0 | 111.7 | | |
| 97 | Y | 42.3 | Very low | 42.3 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | trans | -149.7 | 117.8 | 177.1 | -65.8 | -63.8 | 0 | 0 | 0 | 109.4 | Q95 | Q95-Y97 HydrophobicContact CB-CD2 4.26Å; Q95-Y97 VanDerWaalsContact OE1-CE2 3.25Å |
| 98 | H | 45 | Very low | 42 | Very low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | | | cis | -140.6 | 158.3 | 1.7 | -69.6 | -91.1 | 0 | 0 | 0 | 110.9 | | |
| 99 | R | 39.7 | Very low | 41.7 | Very low | 239 Ų | 239 | 136.5 Ų | 136.5 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.5 | 178.3 | -58.8 | -177.8 | -172.2 | -175.8 | 3.3 | 112.4 | | |
| 100 | V | 47.8 | Very low | 41.8 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -93 | 140.8 | 153.1 | 177.8 | 0 | 0 | 0 | 0 | 108 | | |
| 101 | P | 46.6 | Very low | 41.8 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 151.9 | -165.5 | -18.2 | 33.3 | 0 | 0 | 0 | 115.2 | V103 | P101-V103 PolarHBondContact O-N 3.21Š|
| 102 | E | 42.3 | Very low | 42.3 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 122 | 170.6 | -63.8 | 169.9 | 129.2 | 0 | 0 | 110.7 | | |
| 103 | V | 45.4 | Very low | 42.2 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 118.5 | 161.5 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | P101 | P101-V103 PolarHBondContact O-N 3.21Š|
| 104 | P | 39.6 | Very low | 42 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 157.3 | -173.9 | -24.4 | 35.1 | 0 | 0 | 0 | 114.6 | F106 | P104-F106 PolarHBondContact O-N 3.01Å; P104-F106 VanDerWaalsContact O-N 3.13Å |
| 105 | A | 41.3 | Very low | 41.9 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | | | trans | -58.9 | 110.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 106 | F | 41 | Very low | 42.4 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | | | trans | -121.8 | 115.5 | 149.6 | -78.2 | -82.3 | 0 | 0 | 0 | 108.2 | P104 | P104-F106 PolarHBondContact O-N 3.01Å; P104-F106 VanDerWaalsContact O-N 3.13Å |
| 107 | G | 37.7 | Very low | 42.4 | Very low | 69 Ų | 69 | 141.2 Ų | 141.2 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 48.8 | 110.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | P109 | G107-P109 VanDerWaalsContact O-CD 3.28Å; G107-P109 WeakPolarHBondContact O-CD 3.15Å |
| 108 | I | 39 | Very low | 42.4 | Very low | 155 Ų | 155 | 137.1 Ų | 137.1 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | -51.3 | 120.6 | 156.4 | -60.2 | 170.5 | 0 | 0 | 0 | 106.4 | V110 | I108-V110 PolarHBondContact O-N 3.15Š|
| 109 | P | 39.9 | Very low | 42.3 | Very low | 81 Ų | 81 | 138 Ų | 138 | 53% | 0.526 | 77% | 0.768 | S | S | . | * | | | trans | -64.3 | 104 | 175.1 | 24.7 | -31.5 | 0 | 0 | 0 | 107.2 | G107 Y111 | G107-P109 VanDerWaalsContact O-CD 3.28Å; G107-P109 WeakPolarHBondContact O-CD 3.15Å; P109-Y111 HydrophobicContact CB-CE2 4.19Å; P109-Y111 HydrophobicContact CG-CE2 3.86Å; P109-Y111 VanDerWaalsContact O-CD2 3.24Å; P109-Y111 WeakPolarHBondContact O-CD2 3.17Å; P109-Y111 PolarHBondContact O-N 2.87Å |
| 110 | V | 42.6 | Very low | 42.4 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -70.2 | 85.2 | 167.6 | -178.9 | 0 | 0 | 0 | 0 | 105.5 | I108 | I108-V110 PolarHBondContact O-N 3.15Š|
| 111 | Y | 47.1 | Very low | 42.3 | Very low | 185 Ų | 185 | 128.4 Ų | 128.4 | 73% | 0.725 | 74% | 0.735 | S | S | * | * | | | trans | -50.9 | 123.9 | 166.8 | -68.6 | -83.9 | 0 | 0 | 0 | 106.9 | P109 S113 | P109-Y111 HydrophobicContact CB-CE2 4.19Å; P109-Y111 HydrophobicContact CG-CE2 3.86Å; P109-Y111 VanDerWaalsContact O-CD2 3.24Å; P109-Y111 WeakPolarHBondContact O-CD2 3.17Å; P109-Y111 PolarHBondContact O-N 2.87Å; Y111-S113 PolarHBondContact O-N 3.23Å |
| 112 | P | 45.5 | Very low | 42.4 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | | | trans | -60.2 | 107.4 | 178.1 | 23.9 | -32.2 | 0 | 0 | 0 | 107.1 | T114 | P112-T114 PolarHBondContact O-N 2.84Š|
| 113 | S | 39.8 | Very low | 42.5 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 60% | 0.601 | 72% | 0.72 | S | S | * | * | | | trans | -63.2 | 114.1 | -176 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | Y111 Y115 | Y111-S113 PolarHBondContact O-N 3.23Å; S113-Y115 PolarHBondContact O-N 3.27Å; S113-Y115 WeakPolarHBondContact OG-CD2 3.47Å; S113-Y115 WeakPolarHBondContact OG-CE2 3.3Å |
| 114 | T | 44.5 | Very low | 42.6 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | | | trans | -76.1 | 57.6 | 179.9 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | P112 S116 | P112-T114 PolarHBondContact O-N 2.84Å; T114-S116 PolarHBondContact O-N 2.96Å |
| 115 | Y | 37.6 | Very low | 42.5 | Very low | 205 Ų | 205 | 119.7 Ų | 119.7 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | | | trans | -69.5 | 78 | 155.7 | -73.9 | -68.5 | 0 | 0 | 0 | 107.7 | S113 V117 | S113-Y115 PolarHBondContact O-N 3.27Å; S113-Y115 WeakPolarHBondContact OG-CD2 3.47Å; S113-Y115 WeakPolarHBondContact OG-CE2 3.3Å; Y115-V117 PolarHBondContact O-N 3.09Å |
| 116 | S | 44.9 | Very low | 42.5 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | | | trans | -65.7 | 82.3 | 166.3 | 55.2 | 0 | 0 | 0 | 0 | 108.4 | T114 A118 | T114-S116 PolarHBondContact O-N 2.96Å; S116-A118 PolarHBondContact O-N 3.08Å |
| 117 | V | 41 | Very low | 42.8 | Very low | 131 Ų | 131 | 113.1 Ų | 113.1 | 79% | 0.794 | 68% | 0.681 | S | S | * | * | | | trans | -58.8 | 124.8 | 168.4 | -179.9 | 0 | 0 | 0 | 0 | 106.8 | Y115 Y119 | Y115-V117 PolarHBondContact O-N 3.09Å; V117-Y119 PolarHBondContact O-N 3.07Å |
| 118 | A | 43.1 | Very low | 43 | Very low | 88 Ų | 88 | 116.9 Ų | 116.9 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | | | trans | -56.2 | 125 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109 | S116 N120 | S116-A118 PolarHBondContact O-N 3.08Å; A118-N120 PolarHBondContact O-N 3.19Å |
| 119 | Y | 41.4 | Very low | 43.2 | Very low | 189 Ų | 189 | 115.8 Ų | 115.8 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | | | trans | -59.8 | 103.3 | -176.8 | 175.8 | -96.6 | 0 | 0 | 0 | 109.9 | V117 P121 A124 | V117-Y119 PolarHBondContact O-N 3.07Å; Y119-P121 HydrophobicContact CE1-CB 4.13Å; Y119-P121 WeakPolarHBondContact O-CD 2.98Å; Y119-A124 HydrophobicContact CE2-CB 4.26Å |
| 120 | N | 41.9 | Very low | 43.1 | Very low | 82 Ų | 82 | 117.3 Ų | 117.3 | 44% | 0.439 | 69% | 0.69 | S | S | . | * | | | trans | -98.9 | 109.6 | 175.4 | -176.4 | -11.9 | 0 | 0 | 0 | 108.4 | A118 A122 F123 | A118-N120 PolarHBondContact O-N 3.19Å; N120-A122 PolarHBondContact O-N 3.49Å; N120-A122 VanDerWaalsContact O-N 3.09Å; N120-A122 VanDerWaalsContact OD1-CB 3.3Å; N120-A122 WeakPolarHBondContact OD1-CB 3.4Å; N120-A122 PolarHBondContact OD1-N 3.22Å; N120-A122 VanDerWaalsContact OD1-N 3.08Å; N120-F123 HydrophobicContact CB-CD2 4.09Å; N120-F123 PolarHBondContact O-N 3.29Å |
| 121 | P | 47 | Very low | 43 | Very low | 92 Ų | 92 | 117.3 Ų | 117.3 | 60% | 0.597 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -62.5 | -19.1 | -177 | 24.7 | -33.6 | 0 | 0 | 0 | 113.4 | Y119 F123 A124 | Y119-P121 HydrophobicContact CE1-CB 4.13Å; Y119-P121 WeakPolarHBondContact O-CD 2.98Å; P121-F123 PolarHBondContact O-N 3.37Å; P121-A124 WeakPolarHBondContact O-CB 3.36Å; P121-A124 PolarHBondContact O-N 3.12Å |
| 122 | A | 47.8 | Very low | 42.5 | Very low | 81 Ų | 81 | 115 Ų | 115 | 67% | 0.669 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -63.4 | -23.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | N120 | N120-A122 PolarHBondContact O-N 3.49Å; N120-A122 VanDerWaalsContact O-N 3.09Å; N120-A122 VanDerWaalsContact OD1-CB 3.3Å; N120-A122 WeakPolarHBondContact OD1-CB 3.4Å; N120-A122 PolarHBondContact OD1-N 3.22Å; N120-A122 VanDerWaalsContact OD1-N 3.08Å |
| 123 | F | 45.1 | Very low | 42.4 | Very low | 140 Ų | 140 | 119.1 Ų | 119.1 | 61% | 0.614 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -107.1 | 3 | 177.2 | -65 | -80.8 | 0 | 0 | 0 | 113.3 | N120 P121 G125 S126 | N120-F123 HydrophobicContact CB-CD2 4.09Å; N120-F123 PolarHBondContact O-N 3.29Å; P121-F123 PolarHBondContact O-N 3.37Å; F123-G125 PolarHBondContact O-N 2.89Å; F123-S126 PolarHBondContact O-N 3.02Å; F123-S126 VanDerWaalsContact O-N 3.12Å; F123-S126 PolarHBondContact O-OG 3.41Å; F123-S126 VanDerWaalsContact O-OG 3.07Å |
| 124 | A | 46.4 | Very low | 42.2 | Very low | 64 Ų | 64 | 118 Ų | 118 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.3 | -9.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y119 P121 | Y119-A124 HydrophobicContact CE2-CB 4.26Å; P121-A124 WeakPolarHBondContact O-CB 3.36Å; P121-A124 PolarHBondContact O-N 3.12Å |
| 125 | G | 38.2 | Very low | 41.7 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.9 | -0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | F123 S127 | F123-G125 PolarHBondContact O-N 2.89Å; G125-S127 PolarHBondContact O-N 3.32Å |
| 126 | S | 41.3 | Very low | 42.1 | Very low | 58 Ų | 58 | 114.2 Ų | 114.2 | 41% | 0.406 | 68% | 0.681 | S | S | . | * | | | trans | -83.2 | 97.1 | 178.8 | 60.1 | 0 | 0 | 0 | 0 | 110.8 | F123 D128 | F123-S126 PolarHBondContact O-N 3.02Å; F123-S126 VanDerWaalsContact O-N 3.12Å; F123-S126 PolarHBondContact O-OG 3.41Å; F123-S126 VanDerWaalsContact O-OG 3.07Å; S126-D128 PolarHBondContact O-N 3.11Å; S126-D128 VanDerWaalsContact O-N 3.15Å |
| 127 | S | 47.8 | Very low | 42 | Very low | 107 Ų | 107 | 115.9 Ų | 115.9 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 7.6 | -178.6 | 48.7 | 0 | 0 | 0 | 0 | 115.5 | G125 L129 | G125-S127 PolarHBondContact O-N 3.32Å; S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.07Å |
| 128 | D | 41.6 | Very low | 41.7 | Very low | 148 Ų | 148 | 119.5 Ų | 119.5 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 15.6 | -174.1 | -60.7 | -38.2 | 0 | 0 | 0 | 114.2 | S126 | S126-D128 PolarHBondContact O-N 3.11Å; S126-D128 VanDerWaalsContact O-N 3.15Å |
| 129 | L | 43.1 | Very low | 41.3 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 69% | 0.691 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -105.3 | 121.4 | 162 | -71.5 | 172 | 0 | 0 | 0 | 108.4 | S127 I131 | S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.07Å; L129-I131 PolarHBondContact O-N 2.85Å |
| 130 | P | 37 | Very low | 41.1 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 73% | 0.734 | 69% | 0.694 | S | S | * | * | | | trans | -64.8 | 103.2 | 178.9 | 26.1 | -33 | 0 | 0 | 0 | 109.1 | T132 | P130-T132 VanDerWaalsContact C-N 3.27Å; P130-T132 PolarHBondContact O-N 2.81Å |
| 131 | I | 41.3 | Very low | 40.8 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 67% | 0.672 | 71% | 0.707 | S | S | * | * | | | trans | -65.8 | 93.2 | 171.2 | -56.9 | 174.3 | 0 | 0 | 0 | 106.7 | L129 R133 | L129-I131 PolarHBondContact O-N 2.85Å; I131-R133 HydrophobicContact CG2-CG 3.93Å; I131-R133 PolarHBondContact O-N 2.87Å |
| 132 | T | 36.2 | Very low | 40.3 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | | | trans | -68.6 | 70.1 | 165.7 | 38.3 | 0 | 0 | 0 | 0 | 109.4 | P130 G134 | P130-T132 VanDerWaalsContact C-N 3.27Å; P130-T132 PolarHBondContact O-N 2.81Å; T132-G134 PolarHBondContact O-N 2.95Å |
| 133 | R | 42.8 | Very low | 39.6 | Very low | 203 Ų | 203 | 127.1 Ų | 127.1 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | | | trans | -65 | 75.5 | 152.3 | -85 | -176.3 | -172.2 | 119.1 | 0.7 | 107.4 | I131 E135 | I131-R133 HydrophobicContact CG2-CG 3.93Å; I131-R133 PolarHBondContact O-N 2.87Å; R133-E135 PolarHBondContact O-N 2.98Å |
| 134 | G | 36.1 | Very low | 39.4 | Very low | 63 Ų | 63 | 129.1 Ų | 129.1 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | | | trans | -65.3 | 97.4 | 153 | 0 | 0 | 0 | 0 | 0 | 106.2 | T132 P136 | T132-G134 PolarHBondContact O-N 2.95Å; G134-P136 WeakPolarHBondContact O-CD 3.39Å; G134-P136 VanDerWaalsContact O-N 3.13Å |
| 135 | E | 34.5 | Very low | 39.2 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -51.8 | 109.7 | 159.4 | -72.3 | -83.8 | 135.8 | 0 | 0 | 107.2 | R133 | R133-E135 PolarHBondContact O-N 2.98Š|
| 136 | P | 45.4 | Very low | 39 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 65% | 0.649 | 74% | 0.742 | S | S | * | * | | | trans | -75.5 | 155.2 | 165.7 | 30 | -21.4 | 0 | 0 | 0 | 108.2 | G134 | G134-P136 WeakPolarHBondContact O-CD 3.39Å; G134-P136 VanDerWaalsContact O-N 3.13Å |
| 137 | L | 43.2 | Very low | 38.7 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 81.9 | 38.4 | 169.7 | -53.1 | 121 | 0 | 0 | 0 | 118.9 | | |
| 138 | F | 34 | Very low | 38.1 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -113.6 | 98.3 | 139.9 | -85.1 | -81.2 | 0 | 0 | 0 | 110.4 | | |
| 139 | G | 35.8 | Very low | 38 | Very low | 73 Ų | 73 | 139.9 Ų | 139.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 129.7 | -8.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | P141 | G139-P141 WeakPolarHBondContact O-CD 3.44Š|
| 140 | M | 35.7 | Very low | 37.7 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | | | trans | -101.4 | 112.9 | 177.9 | -69.9 | -165.5 | 72.9 | 0 | 0 | 112.2 | | |
| 141 | P | 35.7 | Very low | 37.7 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | trans | -72 | 148.1 | 177.5 | 29.6 | -34.2 | 0 | 0 | 0 | 111.6 | G139 M143 | G139-P141 WeakPolarHBondContact O-CD 3.44Å; P141-M143 PolarHBondContact O-N 2.83Å |
| 142 | H | 37.3 | Very low | 37.8 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | | | trans | -64 | 116.1 | 177.1 | -68 | 55.6 | 0 | 0 | 0 | 110.1 | | |
| 143 | M | 34.1 | Very low | 38 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | trans | -124.3 | 127.6 | 160.6 | -66 | -147.1 | -61.7 | 0 | 0 | 109.7 | P141 | P141-M143 PolarHBondContact O-N 2.83Š|
| 144 | F | 39.2 | Very low | 37.4 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | | | trans | 76.6 | 76 | 173.6 | -49.7 | -67.7 | 0 | 0 | 0 | 118.4 | | |
| 145 | P | 43.5 | Very low | 37.7 | Very low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | | | trans | -70.4 | 129.6 | 146.3 | 32.3 | -30.4 | 0 | 0 | 0 | 109.3 | | |
| 146 | G | 34 | Very low | 38.2 | Very low | 64 Ų | 64 | 130.5 Ų | 130.5 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | | | trans | 164.4 | -12.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | P148 | G146-P148 VanDerWaalsContact O-CD 3.27Å; G146-P148 WeakPolarHBondContact O-CD 3.48Å |
| 147 | Y | 33.6 | Very low | 37.7 | Very low | 230 Ų | 230 | 131.2 Ų | 131.2 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | | | trans | -111.6 | 95.6 | 179.3 | -88.4 | -83.5 | 0 | 0 | 0 | 112.7 | V149 | Y147-V149 PolarHBondContact O-N 3.28Š|
| 148 | P | 36.4 | Very low | 37.3 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | -79.4 | 113.2 | 170.9 | 31.5 | -31.4 | 0 | 0 | 0 | 110 | G146 | G146-P148 VanDerWaalsContact O-CD 3.27Å; G146-P148 WeakPolarHBondContact O-CD 3.48Å |
| 149 | V | 40 | Very low | 37.6 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | -109.3 | 122.1 | 168.1 | -178.3 | 0 | 0 | 0 | 0 | 108.2 | Y147 | Y147-V149 PolarHBondContact O-N 3.28Š|
| 150 | S | 36.8 | Very low | 37.4 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | | | trans | -55.6 | 133.1 | -166.1 | -48.5 | 0 | 0 | 0 | 0 | 114.2 | A152 | S150-A152 PolarHBondContact O-N 3.41Š|
| 151 | Q | 35.9 | Very low | 37.4 | Very low | 100 Ų | 100 | 125 Ų | 125 | 47% | 0.467 | 71% | 0.714 | S | S | . | * | | | trans | -72 | 120.7 | 175.2 | -64.9 | -166.9 | 15.6 | 0 | 0 | 112 | L153 L181 | Q151-L153 PolarHBondContact O-N 2.94Å; Q151-L181 HydrophobicContact CG-CD1 4.37Å; Q151-L181 PolarHBondContact NE2-O 3.44Å |
| 152 | A | 43.8 | Very low | 37.5 | Very low | 78 Ų | 78 | 126.7 Ų | 126.7 | 65% | 0.645 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 55.2 | 27.1 | 131.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | S150 T154 | S150-A152 PolarHBondContact O-N 3.41Å; A152-T154 VanDerWaalsContact C-N 3.3Å |
| 153 | L | 40.5 | Very low | 37 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 87% | 0.869 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -93.9 | 17 | 163.6 | -114.6 | 162.6 | 0 | 0 | 0 | 113.8 | Q151 | Q151-L153 PolarHBondContact O-N 2.94Š|
| 154 | T | 30.3 | Very low | 37.1 | Very low | 103 Ų | 103 | 122.9 Ų | 122.9 | 63% | 0.632 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -165 | 131 | 167.7 | 9 | 0 | 0 | 0 | 0 | 105.7 | A152 I157 | A152-T154 VanDerWaalsContact C-N 3.3Å; T154-I157 HydrophobicContact CG2-CD1 3.47Å; T154-I157 VanDerWaalsContact CG2-CD1 3.47Å; T154-I157 HydrophobicContact CG2-CG1 3.92Å |
| 155 | A | 41.9 | Very low | 36.5 | Very low | 88 Ų | 88 | 117.9 Ų | 117.9 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | | | cis | -144.3 | 85.5 | 29.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I157 | A155-I157 PolarHBondContact O-N 3.14Š|
| 156 | A | 45.4 | Very low | 36.4 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76.2 | 10.3 | 141.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R158 | A156-R158 PolarHBondContact O-N 2.6Š|
| 157 | I | 34 | Very low | 36.2 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 59% | 0.59 | 69% | 0.693 | S | S | * | * | | | trans | -87.6 | 85.4 | -178 | -53 | -165.9 | 0 | 0 | 0 | 110.1 | T154 A155 | T154-I157 HydrophobicContact CG2-CD1 3.47Å; T154-I157 VanDerWaalsContact CG2-CD1 3.47Å; T154-I157 HydrophobicContact CG2-CG1 3.92Å; A155-I157 PolarHBondContact O-N 3.14Å |
| 158 | R | 35.1 | Very low | 36.6 | Very low | 193 Ų | 193 | 110.6 Ų | 110.6 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | | | trans | 71 | 157.5 | 155 | -60.2 | -173.4 | 80.9 | -177.1 | 5.4 | 116.2 | A156 | A156-R158 PolarHBondContact O-N 2.6Š|
| 159 | P | 40.3 | Very low | 36.7 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | | | cis | -108.5 | 168.9 | 11.5 | 38.8 | -25.5 | 0 | 0 | 0 | 113.6 | A161 | P159-A161 HydrophobicContact CB-CB 4.22Å; P159-A161 HydrophobicContact CG-CB 4.26Å |
| 160 | Q | 30.8 | Very low | 36.4 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | | | cis | 63.2 | 50.2 | 18.9 | -87.5 | -79.4 | -55.3 | 0 | 0 | 115.1 | | |
| 161 | A | 37.5 | Very low | 36.4 | Very low | 64 Ų | 64 | 115.1 Ų | 115.1 | 53% | 0.529 | 65% | 0.645 | S | S | . | * | | | trans | -150.1 | 77.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.2 | P159 | P159-A161 HydrophobicContact CB-CB 4.22Å; P159-A161 HydrophobicContact CG-CB 4.26Å |
| 162 | Q | 37.3 | Very low | 36.4 | Very low | 146 Ų | 146 | 117.3 Ų | 117.3 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | | | | 69 | 110.1 | 93.9 | -67.6 | 171.5 | -7.2 | 0 | 0 | 115.5 | E171 | Q162-E171 PolarHBondContact N-OE1 3.03Š|
| 163 | Y | 26.6 | Very low | 35.8 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 51% | 0.51 | 67% | 0.67 | S | S | . | * | | | trans | 18.9 | 139.5 | 142.7 | -59.4 | -84.5 | 0 | 0 | 0 | 120.2 | A168 R170 | Y163-A168 HydrophobicContact CD1-CB 3.97Å; Y163-R170 HydrophobicContact CE1-CG 4.37Å; Y163-R170 VanDerWaalsContact OH-CG 3.27Å; Y163-R170 WeakPolarHBondContact OH-CG 2.99Å; Y163-R170 PolarHBondContact OH-NE 3.42Å |
| 164 | P | 35.8 | Very low | 35.7 | Very low | 119 Ų | 119 | 120 Ų | 120 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | S | Bend | | -121.6 | 126 | 87.2 | 34 | -32 | 0 | 0 | 0 | 114.2 | A168 | P164-A168 VanDerWaalsContact C-CB 3.47Å; P164-A168 WeakPolarHBondContact O-CB 3.07Å |
| 165 | A | 26.2 | Very low | 36.1 | Very low | 76 Ų | 76 | 120.4 Ų | 120.4 | 63% | 0.628 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 41.5 | 120.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | N167 A168 | A165-N167 CarbonylContact O-C 3.24Å; A165-N167 VanDerWaalsContact O-C 3.24Å; A165-N167 WeakPolarHBondContact O-CA 3.44Å; A165-N167 PolarHBondContact O-N 3.46Å; A165-A168 PolarHBondContact O-N 3.24Å |
| 166 | A | 41.3 | Very low | 36.2 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -29.5 | 99.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A168 | A166-A168 VanDerWaalsContact N-N 3.11Š|
| 167 | N | 31.1 | Very low | 36.1 | Very low | 166 Ų | 166 | 123.9 Ų | 123.9 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | S | Bend | cis | -76.7 | 45.5 | 21.5 | -62.8 | -23.2 | 0 | 0 | 0 | 120.8 | A165 | A165-N167 CarbonylContact O-C 3.24Å; A165-N167 VanDerWaalsContact O-C 3.24Å; A165-N167 WeakPolarHBondContact O-CA 3.44Å; A165-N167 PolarHBondContact O-N 3.46Å |
| 168 | A | 40.9 | Very low | 36.2 | Very low | 24 Ų | 24 | 123.1 Ų | 123.1 | 20% | 0.198 | 68% | 0.683 | C | S | . | * | S | Bend | trans | -103.8 | 79.1 | 145.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | Y163 P164 A165 A166 R170 | Y163-A168 HydrophobicContact CD1-CB 3.97Å; P164-A168 VanDerWaalsContact C-CB 3.47Å; P164-A168 WeakPolarHBondContact O-CB 3.07Å; A165-A168 PolarHBondContact O-N 3.24Å; A166-A168 VanDerWaalsContact N-N 3.11Å; A168-R170 PolarHBondContact O-N 3.17Å |
| 169 | L | 38.7 | Very low | 36.3 | Very low | 157 Ų | 157 | 118.3 Ų | 118.3 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | | | trans | -71 | 109 | 166.3 | -74.2 | 171.1 | 0 | 0 | 0 | 108.1 | | |
| 170 | R | 35.1 | Very low | 36.2 | Very low | 196 Ų | 196 | 116.9 Ų | 116.9 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | | | trans | -16.2 | 125.8 | 169.8 | -68.8 | 171.1 | 178.5 | 179.3 | -2.4 | 115.2 | Y163 A168 V172 | Y163-R170 HydrophobicContact CE1-CG 4.37Å; Y163-R170 VanDerWaalsContact OH-CG 3.27Å; Y163-R170 WeakPolarHBondContact OH-CG 2.99Å; Y163-R170 PolarHBondContact OH-NE 3.42Å; A168-R170 PolarHBondContact O-N 3.17Å; R170-V172 PolarHBondContact O-N 3.47Å |
| 171 | E | 35.6 | Very low | 36.5 | Very low | 111 Ų | 111 | 116.9 Ų | 116.9 | 52% | 0.519 | 69% | 0.686 | S | S | . | * | | | trans | -36.3 | 126.7 | 158 | -63.1 | 156.2 | -138.5 | 0 | 0 | 111.8 | Q162 | Q162-E171 PolarHBondContact N-OE1 3.03Š|
| 172 | V | 37.2 | Very low | 36.3 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | | | trans | -116.8 | 130.9 | 157.1 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | R170 | R170-V172 PolarHBondContact O-N 3.47Š|
| 173 | Q | 30.9 | Very low | 36.2 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 77% | 0.771 | 71% | 0.706 | S | S | * | * | | | trans | -124.6 | 124.6 | -154.9 | 170.3 | -168.3 | 8.2 | 0 | 0 | 110.6 | | |
| 174 | V | 38.5 | Very low | 36.8 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | -145.9 | 145.6 | 173.6 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 175 | P | 38.1 | Very low | 37.2 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | -98.5 | 179.4 | -148.6 | 41.4 | -38.1 | 0 | 0 | 0 | 115.4 | | |
| 176 | P | 44 | Very low | 38 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | trans | -92.9 | 149.4 | -153 | 36.1 | -35.4 | 0 | 0 | 0 | 115.5 | S178 | P176-S178 PolarHBondContact O-N 2.94Š|
| 177 | T | 42.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | | | trans | -77.2 | 104.7 | 164.7 | 51.5 | 0 | 0 | 0 | 0 | 110 | | |
| 178 | S | 36.9 | Very low | 38.8 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | -62 | 143.7 | 176.2 | 40.8 | 0 | 0 | 0 | 0 | 112.3 | P176 G180 | P176-S178 PolarHBondContact O-N 2.94Å; S178-G180 PolarHBondContact O-N 3.04Å |
| 179 | S | 36.9 | Very low | 38.7 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | -63.4 | 126.7 | 168.5 | 41.9 | 0 | 0 | 0 | 0 | 110.8 | L181 | S179-L181 PolarHBondContact O-N 3.09Š|
| 180 | G | 38.2 | Very low | 38.7 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -69.7 | 82.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | S178 Y182 | S178-G180 PolarHBondContact O-N 3.04Å; G180-Y182 PolarHBondContact O-N 2.91Å |
| 181 | L | 36.6 | Very low | 39.1 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 60% | 0.602 | 78% | 0.775 | S | S | * | * | | | trans | -68.1 | 120.1 | 152.1 | -86.6 | 171.5 | 0 | 0 | 0 | 107 | Q151 S179 T183 | Q151-L181 HydrophobicContact CG-CD1 4.37Å; Q151-L181 PolarHBondContact NE2-O 3.44Å; S179-L181 PolarHBondContact O-N 3.09Å; L181-T183 PolarHBondContact O-N 2.79Å |
| 182 | Y | 33.2 | Very low | 39.4 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | | | trans | -57.1 | 105.7 | 176.9 | -82.2 | -100.7 | 0 | 0 | 0 | 110.9 | G180 | G180-Y182 PolarHBondContact O-N 2.91Š|
| 183 | T | 36.4 | Very low | 40.5 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | trans | -142.6 | 123.1 | 144.8 | 33.9 | 0 | 0 | 0 | 0 | 109.3 | L181 | L181-T183 PolarHBondContact O-N 2.79Š|
| 184 | D | 38.3 | Very low | 41.5 | Very low | 164 Ų | 164 | 141 Ų | 141 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | trans | 78.8 | 138.3 | 177.3 | -131.9 | -17.8 | 0 | 0 | 0 | 119.3 | | |
| 185 | V | 44.3 | Very low | 42.5 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -110.5 | 85.5 | -162.6 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 186 | G | 44.2 | Very low | 43 | Very low | 64 Ų | 64 | 141.7 Ų | 141.7 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | | | trans | -139.8 | 79.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 187 | N | 47.8 | Very low | 43.7 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 53 | 94.2 | 154.4 | -59.7 | -29.6 | 0 | 0 | 0 | 119.2 | | |
| 188 | I | 40.3 | Very low | 44.4 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | | | trans | -132.3 | 133.3 | 141.9 | -52.8 | -179 | 0 | 0 | 0 | 109 | | |
| 189 | Q | 38.4 | Very low | 45.1 | Very low | 181 Ų | 181 | 146 Ų | 146 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -78.4 | 154.2 | -161.4 | -64.6 | 167.1 | 0.9 | 0 | 0 | 114.2 | Q191 | Q189-Q191 PolarHBondContact O-N 2.89Š|
| 190 | Q | 39 | Very low | 46.2 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -64.1 | 122.3 | 172 | -59.3 | 173.9 | 11 | 0 | 0 | 110.6 | | |
| 191 | Q | 44.2 | Very low | 47.5 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -101.3 | 104.2 | 164.6 | -69.1 | -167.5 | 9.5 | 0 | 0 | 109.7 | Q189 F193 | Q189-Q191 PolarHBondContact O-N 2.89Å; Q191-F193 PolarHBondContact O-N 2.98Å |
| 192 | Q | 41.4 | Very low | 49 | Very low | 175 Ų | 175 | 155.3 Ų | 155.3 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | -82.6 | 105.8 | 179.9 | -174.1 | 177.6 | 8.1 | 0 | 0 | 110 | V194 | Q192-V194 PolarHBondContact O-N 3.49Š|
| 193 | F | 59.8 | Low | 50.7 | Low | 183 Ų | 183 | 152.1 Ų | 152.1 | 80% | 0.803 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 119.9 | 176.6 | -70.3 | -88.4 | 0 | 0 | 0 | 111.3 | Q191 | Q191-F193 PolarHBondContact O-N 2.98Š|
| 194 | V | 51.6 | Low | 52.5 | Low | 134 Ų | 134 | 156 Ų | 156 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -94 | 117.9 | 175 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | Q192 | Q192-V194 PolarHBondContact O-N 3.49Š|
| 195 | I | 60.1 | Low | 54.3 | Low | 146 Ų | 146 | 157 Ų | 157 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 120 | 178.9 | -58.3 | 176 | 0 | 0 | 0 | 109.3 | | |
| 196 | P | 48.6 | Very low | 56 | Low | 116 Ų | 116 | 157.7 Ų | 157.7 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 127.6 | -179.8 | 29.2 | -33.3 | 0 | 0 | 0 | 112 | | |
| 197 | T | 58.2 | Low | 57.7 | Low | 135 Ų | 135 | 161.5 Ų | 161.5 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | | | trans | -98.5 | 95.1 | 177.8 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 198 | S | 57.4 | Low | 59 | Low | 106 Ų | 106 | 160.1 Ų | 160.1 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | trans | -96.3 | 109.5 | 165.1 | 53.7 | 0 | 0 | 0 | 0 | 110.9 | Q200 | S198-Q200 PolarHBondContact O-N 3.03Å; S198-Q200 VanDerWaalsContact O-N 3.14Å |
| 199 | Q | 51.5 | Low | 60.6 | Low | 195 Ų | 195 | 155.6 Ų | 155.6 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -81.6 | 84 | 172.2 | -68.2 | -173 | 4.3 | 0 | 0 | 110.2 | | |
| 200 | Q | 61.6 | Low | 62.6 | Low | 180 Ų | 180 | 155.5 Ų | 155.5 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -103.7 | 113.2 | 162.5 | -77 | -177.3 | -22.4 | 0 | 0 | 108.9 | S198 | S198-Q200 PolarHBondContact O-N 3.03Å; S198-Q200 VanDerWaalsContact O-N 3.14Å |
| 201 | Q | 65 | Low | 64.4 | Low | 178 Ų | 178 | 153 Ų | 153 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 147.8 | 175.6 | -71.3 | -159.9 | 8.8 | 0 | 0 | 110.6 | H203 | Q201-H203 PolarHBondContact O-N 3.33Š|
| 202 | P | 68.6 | Low | 65.9 | Low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 120.7 | -173.7 | 24.6 | -34.3 | 0 | 0 | 0 | 111.7 | K204 | P202-K204 PolarHBondContact O-N 2.98Š|
| 203 | H | 68 | Low | 67.5 | Low | 163 Ų | 163 | 150.5 Ų | 150.5 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 117 | 171.3 | -119.9 | -85.1 | 0 | 0 | 0 | 109.3 | Q201 F205 | Q201-H203 PolarHBondContact O-N 3.33Å; H203-F205 PolarHBondContact O-N 3.22Å |
| 204 | K | 74.3 | Confident | 68.1 | Low | 199 Ų | 199 | 147.3 Ų | 147.3 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -74.3 | 108.1 | 171.9 | -68.5 | -171 | -179.9 | -174.8 | 0 | 108.9 | P202 Q206 | P202-K204 PolarHBondContact O-N 2.98Å; K204-Q206 PolarHBondContact O-N 3.18Å |
| 205 | F | 76.5 | Confident | 69.2 | Low | 186 Ų | 186 | 149.6 Ų | 149.6 | 82% | 0.816 | 77% | 0.766 | S | S | * | * | | | trans | -74.5 | 114.4 | 167.9 | -67.4 | -79.1 | 0 | 0 | 0 | 109.3 | H203 | H203-F205 PolarHBondContact O-N 3.22Š|
| 206 | Q | 79.9 | Confident | 69.2 | Low | 155 Ų | 155 | 147.2 Ų | 147.2 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | trans | -85.5 | 119.3 | 174.7 | -178 | 178.6 | -14.7 | 0 | 0 | 109.3 | K204 N208 | K204-Q206 PolarHBondContact O-N 3.18Å; Q206-N208 WeakPolarHBondContact CG-OD1 3.33Å; Q206-N208 PolarHBondContact NE2-OD1 3.25Å |
| 207 | I | 78.6 | Confident | 69.8 | Low | 143 Ų | 143 | 149 Ų | 149 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -90.4 | 108.4 | 177.3 | -57.5 | 174.8 | 0 | 0 | 0 | 108.2 | S209 | I207-S209 WeakPolarHBondContact CG2-OG 3.19Š|
| 208 | N | 75.2 | Confident | 69.4 | Low | 131 Ų | 131 | 151.5 Ų | 151.5 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | -102.8 | 19.5 | -178.7 | -73.6 | -25 | 0 | 0 | 0 | 113.5 | Q206 | Q206-N208 WeakPolarHBondContact CG-OD1 3.33Å; Q206-N208 PolarHBondContact NE2-OD1 3.25Å |
| 209 | S | 73.7 | Confident | 68.6 | Low | 85 Ų | 85 | 150.1 Ų | 150.1 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | | | trans | -97.1 | 119.3 | 179.9 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | I207 | I207-S209 WeakPolarHBondContact CG2-OG 3.19Š|
| 210 | E | 80.5 | Confident | 68.3 | Low | 179 Ų | 179 | 149 Ų | 149 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | | | trans | -73.6 | 135.8 | 170.2 | -174.7 | 171.5 | -157.3 | 0 | 0 | 110.8 | | |
| 211 | I | 77.8 | Confident | 67.2 | Low | 139 Ų | 139 | 145.4 Ų | 145.4 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | | | trans | -99.2 | 109.5 | 179.3 | -57.7 | 174.9 | 0 | 0 | 0 | 108.4 | I213 | I211-I213 HydrophobicContact CG2-CG1 4.29Š|
| 212 | Q | 75.5 | Confident | 65.9 | Low | 177 Ų | 177 | 141.8 Ų | 141.8 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | trans | -78.6 | 125.1 | 172.8 | -64 | -178.9 | 7.7 | 0 | 0 | 109.9 | | |
| 213 | I | 75.7 | Confident | 64.3 | Low | 112 Ų | 112 | 147.6 Ų | 147.6 | 57% | 0.574 | 75% | 0.745 | S | S | * | * | | | trans | -111.6 | 107.9 | 175.7 | -55 | 176.6 | 0 | 0 | 0 | 107.7 | I211 Y215 | I211-I213 HydrophobicContact CG2-CG1 4.29Å; I213-Y215 HydrophobicContact CB-CE2 4.21Å; I213-Y215 HydrophobicContact CG2-CD2 4.37Å; I213-Y215 HydrophobicContact CG2-CE1 4Å; I213-Y215 HydrophobicContact CG2-CE2 3.77Å |
| 214 | S | 71.3 | Confident | 63.3 | Low | 115 Ų | 115 | 146.1 Ų | 146.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -83.6 | 131.4 | 170.1 | 47.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 215 | Y | 75.6 | Confident | 61.4 | Low | 183 Ų | 183 | 139.7 Ų | 139.7 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | -104.6 | 125.4 | 174.4 | -63.9 | -84.1 | 0 | 0 | 0 | 109.1 | I213 | I213-Y215 HydrophobicContact CB-CE2 4.21Å; I213-Y215 HydrophobicContact CG2-CD2 4.37Å; I213-Y215 HydrophobicContact CG2-CE1 4Å; I213-Y215 HydrophobicContact CG2-CE2 3.77Å |
| 216 | S | 60.4 | Low | 59.6 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | trans | -87.4 | 109.6 | 174.9 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | H218 | S216-H218 PolarHBondContact O-N 3.16Š|
| 217 | D | 60 | Low | 57.4 | Low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | | | trans | -73.3 | 94.3 | 173.8 | -70.7 | -38.2 | 0 | 0 | 0 | 110.4 | A219 | D217-A219 PolarHBondContact O-N 3.31Š|
| 218 | H | 50 | Low | 55.2 | Low | 187 Ų | 187 | 139.3 Ų | 139.3 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | | | trans | -73.8 | 65.9 | 172.4 | -72.2 | -66.5 | 0 | 0 | 0 | 111.8 | S216 | S216-H218 PolarHBondContact O-N 3.16Š|
| 219 | A | 41.4 | Very low | 53.2 | Low | 78 Ų | 78 | 139 Ų | 139 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | | | trans | -104.5 | 111.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D217 | D217-A219 PolarHBondContact O-N 3.31Š|
| 220 | Q | 44.2 | Very low | 51.5 | Low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | 59.5 | 110.9 | 157.8 | -53.4 | -67.2 | -63.7 | 0 | 0 | 117.9 | | |
| 221 | N | 39.3 | Very low | 49.2 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 57% | 0.567 | 77% | 0.765 | S | S | * | * | | | | 161.8 | 105.2 | 127.7 | -84.2 | -5.9 | 0 | 0 | 0 | 109.9 | N261 | N221-N261 PolarHBondContact ND2-O 2.99Š|
| 222 | S | 37.9 | Very low | 47.1 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | 97.3 | 98.8 | 66.1 | 69.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 223 | R | 34.2 | Very low | 45.1 | Very low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -147.7 | 114 | 142.3 | -154.9 | 171.1 | -172.3 | 172.2 | 2.6 | 110.1 | G225 | R223-G225 PolarHBondContact O-N 2.82Š|
| 224 | P | 48.5 | Very low | 43.2 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -77.1 | 120.1 | 175.5 | 30.5 | -31.2 | 0 | 0 | 0 | 109.1 | | |
| 225 | G | 33.6 | Very low | 41.6 | Very low | 65 Ų | 65 | 141.8 Ų | 141.8 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | | | trans | -149.4 | 99.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R223 | R223-G225 PolarHBondContact O-N 2.82Š|
| 226 | S | 37.4 | Very low | 39.8 | Very low | 113 Ų | 113 | 143.5 Ų | 143.5 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | trans | 52.1 | 96.5 | 159.9 | 58.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 227 | Q | 35.6 | Very low | 38.5 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | | | | 72.5 | 143.7 | 126.8 | -59.7 | -167.7 | 0.8 | 0 | 0 | 121.7 | | |
| 228 | Q | 32.3 | Very low | 37.5 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 64.7 | 48.4 | 166.1 | -63.9 | -167.2 | -42.8 | 0 | 0 | 118.6 | V230 | Q228-V230 PolarHBondContact O-N 3.03Š|
| 229 | S | 31.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -72.6 | 65.4 | 144.2 | 64.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 230 | V | 38.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | | | trans | -95.2 | 115 | 161.9 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | Q228 Q232 | Q228-V230 PolarHBondContact O-N 3.03Å; V230-Q232 PolarHBondContact O-N 2.87Å |
| 231 | Q | 32.2 | Very low | 35.5 | Very low | 183 Ų | 183 | 140.8 Ų | 140.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -54.9 | 119.2 | 176.3 | -62.6 | 164.5 | -15 | 0 | 0 | 110.8 | | |
| 232 | Q | 34 | Very low | 35.4 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 73% | 0.729 | 79% | 0.792 | S | S | * | * | | | trans | -134.1 | 101.5 | 145 | -74.6 | -160.1 | -11.7 | 0 | 0 | 110.3 | V230 N234 | V230-Q232 PolarHBondContact O-N 2.87Å; Q232-N234 PolarHBondContact O-N 2.8Å; Q232-N234 PolarHBondContact OE1-ND2 3.45Å |
| 233 | N | 33.2 | Very low | 35.1 | Very low | 167 Ų | 167 | 142 Ų | 142 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | -62.1 | 81.7 | 154.7 | -89.4 | -49.2 | 0 | 0 | 0 | 108.8 | | |
| 234 | N | 36.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 62% | 0.62 | 79% | 0.787 | S | S | * | * | | | trans | -106.7 | 58.3 | 167.6 | -89.5 | -35.5 | 0 | 0 | 0 | 110.1 | Q232 R236 | Q232-N234 PolarHBondContact O-N 2.8Å; Q232-N234 PolarHBondContact OE1-ND2 3.45Å; N234-R236 PolarHBondContact O-N 2.85Å |
| 235 | S | 38.1 | Very low | 34 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -70.2 | 74.4 | 159.9 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 236 | R | 36.1 | Very low | 33.8 | Very low | 219 Ų | 219 | 137.9 Ų | 137.9 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -118.7 | 117.6 | 169.3 | -141 | -173.5 | -175.8 | -159.8 | 0.5 | 109.8 | N234 | N234-R236 PolarHBondContact O-N 2.85Š|
| 237 | V | 34.4 | Very low | 33.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | 74 | 96.7 | 167.7 | -156.6 | 0 | 0 | 0 | 0 | 116 | G239 | V237-G239 PolarHBondContact O-N 2.89Å; V237-G239 VanDerWaalsContact O-N 3.16Å |
| 238 | Q | 37.6 | Very low | 33.2 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -64.4 | 104.6 | 141 | -86.4 | -176.4 | -12.5 | 0 | 0 | 107.8 | | |
| 239 | G | 30.1 | Very low | 33.3 | Very low | 60 Ų | 60 | 132.3 Ų | 132.3 | 62% | 0.619 | 79% | 0.79 | S | S | * | * | | | trans | -118 | 72.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | V237 T241 | V237-G239 PolarHBondContact O-N 2.89Å; V237-G239 VanDerWaalsContact O-N 3.16Å; G239-T241 PolarHBondContact O-N 3.14Å |
| 240 | T | 31.9 | Very low | 33.1 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 109.2 | -177.1 | 48.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 241 | T | 32.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -130.6 | 100.6 | 160 | -6.7 | 0 | 0 | 0 | 0 | 108.8 | G239 | G239-T241 PolarHBondContact O-N 3.14Š|
| 242 | S | 37.4 | Very low | 33 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -58.8 | 142.8 | 164.1 | -56.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 243 | P | 31.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 128 Ų | 128 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | | -116 | 131.5 | 102.4 | 33.4 | -32 | 0 | 0 | 0 | 109.1 | | |
| 244 | N | 27.1 | Very low | 32.8 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | | 64.1 | 134 | 62.9 | -161.1 | 18.7 | 0 | 0 | 0 | 113.1 | | |
| 245 | V | 31.9 | Very low | 32.6 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | | | trans | 74.9 | 110.8 | 173.4 | -162 | 0 | 0 | 0 | 0 | 116.9 | | |
| 246 | G | 29.7 | Very low | 32.2 | Very low | 75 Ų | 75 | 129.2 Ų | 129.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | 170 | 113.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 247 | C | 31.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | -30.1 | 145.8 | -175.6 | -67.6 | 0 | 0 | 0 | 0 | 120.7 | A249 | C247-A249 PolarHBondContact O-N 3.22Š|
| 248 | T | 28.8 | Very low | 32.1 | Very low | 140 Ų | 140 | 126 Ų | 126 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | -59.8 | 117.5 | 158.4 | 40.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 249 | A | 33.4 | Very low | 31.9 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | | | trans | -156.3 | 99.5 | 155 | 0 | 0 | 0 | 0 | 0 | 105.8 | C247 | C247-A249 PolarHBondContact O-N 3.22Š|
| 250 | V | 28.4 | Very low | 32.2 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | | 27.8 | 145.3 | 76 | -104 | 0 | 0 | 0 | 0 | 115.3 | | |
| 251 | P | 39 | Very low | 32.3 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 59% | 0.591 | 77% | 0.765 | S | S | * | * | | | cis | -132.6 | -161.7 | -13.4 | 16.1 | 11.6 | 0 | 0 | 0 | 112.5 | | |
| 252 | F | 30 | Very low | 32.5 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.833 | 77% | 0.766 | S | S | * | * | | | trans | 77.2 | 103.1 | 159.9 | -61 | -66.7 | 0 | 0 | 0 | 116.8 | | |
| 253 | A | 31.2 | Very low | 32.4 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | | 95.1 | 105.2 | 58.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 254 | V | 31.4 | Very low | 33 | Very low | 126 Ų | 126 | 125.5 Ų | 125.5 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | | | trans | -69.8 | 131.7 | 162.5 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | E256 | V254-E256 HydrophobicContact CG1-CB 4.28Å; V254-E256 HydrophobicContact CG1-CG 4.2Å |
| 255 | V | 31.7 | Very low | 33.6 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -140.4 | 93.9 | 159.2 | 177.9 | 0 | 0 | 0 | 0 | 102.1 | | |
| 256 | E | 29.9 | Very low | 33.7 | Very low | 176 Ų | 176 | 123.9 Ų | 123.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | | 51.6 | 93 | 61.1 | -101.7 | -170.3 | -173.6 | 0 | 0 | 113.1 | V254 | V254-E256 HydrophobicContact CG1-CB 4.28Å; V254-E256 HydrophobicContact CG1-CG 4.2Å |
| 257 | S | 39 | Very low | 34.1 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | | | trans | -134.6 | 116.2 | 164.3 | 60.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 258 | E | 30.4 | Very low | 34.3 | Very low | 177 Ų | 177 | 125.2 Ų | 125.2 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | | 51.8 | 143.1 | 124.3 | -63.2 | 178.3 | 156.4 | 0 | 0 | 120 | | |
| 259 | Q | 33.1 | Very low | 34.6 | Very low | 174 Ų | 174 | 123.8 Ų | 123.8 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | cis | -175.2 | 168 | -11.9 | -165.6 | 174.7 | 44.2 | 0 | 0 | 107.5 | | |
| 260 | A | 35.1 | Very low | 34.9 | Very low | 71 Ų | 71 | 124.2 Ų | 124.2 | 59% | 0.587 | 76% | 0.764 | S | S | * | * | | | trans | 83 | 142.4 | 152 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 261 | N | 34.1 | Very low | 35.3 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | | | trans | 70.9 | 122.6 | 175.8 | -49.1 | -64.5 | 0 | 0 | 0 | 114 | N221 | N221-N261 PolarHBondContact ND2-O 2.99Š|
| 262 | V | 38.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | cis | -134.1 | 153.6 | 44.5 | 179.4 | 0 | 0 | 0 | 0 | 113 | | |
| 263 | A | 35.4 | Very low | 36.1 | Very low | 85 Ų | 85 | 127.2 Ų | 127.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 157.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 264 | P | 43.5 | Very low | 36.9 | Very low | 129 Ų | 129 | 126 Ų | 126 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 141.5 | -168.4 | 34 | -35.6 | 0 | 0 | 0 | 114.9 | | |
| 265 | T | 39.7 | Very low | 37.7 | Very low | 143 Ų | 143 | 127.1 Ų | 127.1 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 130.2 | 169.5 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 266 | A | 34.6 | Very low | 38.3 | Very low | 100 Ų | 100 | 124.6 Ų | 124.6 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 142.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 267 | S | 37.5 | Very low | 39.5 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -164.3 | 93 | 150.9 | 43.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 268 | T | 35.7 | Very low | 39.7 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 77% | 0.767 | 80% | 0.796 | S | S | * | * | | | | 74.3 | 112.9 | 95.8 | 55.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 269 | S | 34.5 | Very low | 40.8 | Very low | 111 Ų | 111 | 120 Ų | 120 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 57.5 | 115.7 | 145.8 | 63.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 270 | A | 41.4 | Very low | 41.4 | Very low | 98 Ų | 98 | 122.3 Ų | 122.3 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | | -170.6 | 130.3 | 101.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 271 | D | 35.3 | Very low | 41.7 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | trans | -63.7 | 129.7 | -170.5 | -60.5 | -81.3 | 0 | 0 | 0 | 116.6 | | |
| 272 | S | 43.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | | | trans | 18.6 | 104.2 | 131.8 | -161.9 | 0 | 0 | 0 | 0 | 118 | | |
| 273 | K | 43.8 | Very low | 42.3 | Very low | 204 Ų | 204 | 123.8 Ų | 123.8 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | | | trans | -124.5 | 95.6 | 156.3 | -74.9 | -73.1 | -176.7 | 175.1 | 0 | 109.1 | | |
| 274 | G | 47.3 | Very low | 42.7 | Very low | 57 Ų | 57 | 126.1 Ų | 126.1 | 59% | 0.588 | 85% | 0.848 | S | S | * | * | | | trans | -76.4 | -160.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 275 | T | 47.1 | Very low | 42.7 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 93% | 0.926 | 85% | 0.848 | S | S | * | * | | | trans | 59.1 | 111.6 | -171.6 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 276 | G | 45.7 | Very low | 42.9 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 85% | 0.846 | S | S | * | * | | | cis | 94.1 | 99.9 | 24.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 277 | A | 53.9 | Low | 43.5 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | | | trans | -108.2 | 116 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 278 | T | 44.2 | Very low | 44 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 89% | 0.89 | 86% | 0.856 | S | S | * | * | | | trans | -80.2 | 119.7 | 161.6 | 46.3 | 0 | 0 | 0 | 0 | 109 | | |
| 279 | A | 52 | Low | 44.7 | Very low | 99 Ų | 99 | 128.4 Ų | 128.4 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | | | trans | -97.1 | 138.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 280 | V | 46.8 | Very low | 45.6 | Very low | 223 Ų | 223 | 130 Ų | 130 | 100% | 1.352 | 87% | 0.871 | S | S | * | * | | | trans | -77.5 | 0 | -177.8 | -122.7 | 0 | 0 | 0 | 0 | 112 | | |