| 1 | M | 40.7 | Very low | 41.9 | Very low | 238 Ų | 238 | 134.4 Ų | 134.4 | 100% | 1.172 | 79% | 0.791 | S | S | * | * | | | | 0 | 86.9 | 0 | -69.2 | -176.7 | 155.9 | 0 | 0 | 106.4 | | |
| 2 | A | 37 | Very low | 41.1 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | | 63.1 | 124.6 | 79.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 3 | A | 45 | Very low | 41 | Very low | 83 Ų | 83 | 142.9 Ų | 142.9 | 69% | 0.686 | 80% | 0.797 | S | S | * | * | | | trans | 86.6 | 115.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 4 | N | 43.4 | Very low | 40.7 | Very low | 134 Ų | 134 | 145.9 Ų | 145.9 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | | | | 84.6 | 115.1 | 122.8 | -73.4 | 14.8 | 0 | 0 | 0 | 117.6 | | |
| 5 | E | 50.1 | Low | 40.7 | Very low | 155 Ų | 155 | 148.1 Ų | 148.1 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | | 167.3 | 114.2 | 77.4 | -111.2 | 148.2 | -140.7 | 0 | 0 | 107.2 | | |
| 6 | E | 40.6 | Very low | 40.5 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | | 62.5 | 96.3 | 102.9 | -67.4 | -163.8 | 168.6 | 0 | 0 | 114.1 | | |
| 7 | S | 44.1 | Very low | 40.4 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | -161.4 | 112.8 | 152 | 174.4 | 0 | 0 | 0 | 0 | 111 | | |
| 8 | S | 42.6 | Very low | 40.5 | Very low | 101 Ų | 101 | 154.5 Ų | 154.5 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | 65.1 | 84.6 | 150.8 | 65 | 0 | 0 | 0 | 0 | 118.8 | | |
| 9 | F | 33.9 | Very low | 40.4 | Very low | 171 Ų | 171 | 159.2 Ų | 159.2 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | | | trans | -115.7 | 84.6 | 151.7 | -167.6 | -101.8 | 0 | 0 | 0 | 109.4 | F12 | F9-F12 AromaticContact CE1-CD2 3.65Å; F9-F12 HydrophobicContact CE1-CD2 3.65Å; F9-F12 HydrophobicContact CE1-CE2 4.27Å; F9-F12 HydrophobicContact CZ-CD2 4.08Å; F9-F12 HydrophobicContact CZ-CE2 4.42Å |
| 10 | T | 44.5 | Very low | 40.4 | Very low | 139 Ų | 139 | 157.2 Ų | 157.2 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | trans | -97.3 | 104.1 | 167.7 | 49 | 0 | 0 | 0 | 0 | 108 | | |
| 11 | G | 39.1 | Very low | 40.3 | Very low | 62 Ų | 62 | 152.7 Ų | 152.7 | 64% | 0.639 | 80% | 0.799 | S | S | * | * | | | trans | 168.3 | 35.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 12 | F | 32.4 | Very low | 40.2 | Very low | 185 Ų | 185 | 149.6 Ų | 149.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -127.4 | 95.2 | 170.8 | -118.7 | -101.5 | 0 | 0 | 0 | 108.7 | F9 | F9-F12 AromaticContact CE1-CD2 3.65Å; F9-F12 HydrophobicContact CE1-CD2 3.65Å; F9-F12 HydrophobicContact CE1-CE2 4.27Å; F9-F12 HydrophobicContact CZ-CD2 4.08Å; F9-F12 HydrophobicContact CZ-CE2 4.42Å |
| 13 | K | 39.8 | Very low | 40.3 | Very low | 195 Ų | 195 | 156.6 Ų | 156.6 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | 179.6 | 138 | 158.5 | -101.3 | 173.9 | -171.7 | -169.8 | 0 | 107.1 | | |
| 14 | F | 37.3 | Very low | 39.7 | Very low | 185 Ų | 185 | 158.4 Ų | 158.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 79.4 | 112.1 | -168.4 | -68.8 | -91.3 | 0 | 0 | 0 | 112.6 | | |
| 15 | Y | 39.7 | Very low | 39.6 | Very low | 178 Ų | 178 | 157.5 Ų | 157.5 | 70% | 0.698 | 80% | 0.797 | S | S | * | * | | | cis | -150.4 | 117.8 | 28.5 | -104.8 | -97.8 | 0 | 0 | 0 | 108.8 | | |
| 16 | R | 38.1 | Very low | 39 | Very low | 252 Ų | 252 | 158 Ų | 158 | 95% | 0.951 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -114.2 | 46.7 | 170.8 | -168.6 | -169 | 165.8 | 167.7 | -3 | 109.1 | | |
| 17 | E | 39.4 | Very low | 38.7 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -156.6 | 50.5 | -162.9 | -133.2 | 152.9 | -159 | 0 | 0 | 113 | | |
| 18 | L | 41.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -145.7 | 19.6 | 170.5 | -84.1 | -178.2 | 0 | 0 | 0 | 114.9 | | |
| 19 | Y | 39.5 | Very low | 38.2 | Very low | 243 Ų | 243 | 162.3 Ų | 162.3 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -133.2 | 62.8 | 174.6 | -91 | -90.8 | 0 | 0 | 0 | 110.9 | | |
| 20 | S | 40 | Very low | 38.9 | Very low | 120 Ų | 120 | 160 Ų | 160 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -135 | 8.2 | 172.3 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 21 | G | 37.4 | Very low | 39 | Very low | 63 Ų | 63 | 156.9 Ų | 156.9 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -134.3 | 84.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 22 | L | 39 | Very low | 39.1 | Very low | 173 Ų | 173 | 161.1 Ų | 161.1 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | trans | 178.8 | 52.4 | 154.7 | -92.4 | 141 | 0 | 0 | 0 | 108.9 | C24 | L22-C24 VanDerWaalsContact C-N 3.35Å; L22-C24 PolarHBondContact O-N 2.74Å |
| 23 | R | 38.4 | Very low | 39.7 | Very low | 244 Ų | 244 | 158.8 Ų | 158.8 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -81.1 | 88.9 | 159.9 | -114.5 | -177.6 | 176.8 | 179 | -0.9 | 106.4 | T25 | R23-T25 VanDerWaalsContact C-N 3.34Å; R23-T25 PolarHBondContact O-N 3.28Å |
| 24 | C | 34 | Very low | 39.6 | Very low | 121 Ų | 121 | 154.6 Ų | 154.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -73.3 | 93.6 | 169.2 | -125.4 | 0 | 0 | 0 | 0 | 107.8 | L22 M26 | L22-C24 VanDerWaalsContact C-N 3.35Å; L22-C24 PolarHBondContact O-N 2.74Å; C24-M26 PolarHBondContact O-N 3.39Å; C24-M26 VanDerWaalsContact O-N 3.14Å |
| 25 | T | 40.9 | Very low | 39.9 | Very low | 115 Ų | 115 | 152.4 Ų | 152.4 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -71.7 | 95.4 | 166.1 | 49.3 | 0 | 0 | 0 | 0 | 108.1 | R23 Q27 | R23-T25 VanDerWaalsContact C-N 3.34Å; R23-T25 PolarHBondContact O-N 3.28Å; T25-Q27 VanDerWaalsContact C-N 3.35Å; T25-Q27 PolarHBondContact O-N 3.4Å; T25-Q27 VanDerWaalsContact O-N 3.16Å |
| 26 | M | 36.1 | Very low | 39.7 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -80.9 | 88.9 | 165.9 | -131.3 | -176.6 | 81.6 | 0 | 0 | 107.9 | C24 V28 | C24-M26 PolarHBondContact O-N 3.39Å; C24-M26 VanDerWaalsContact O-N 3.14Å; M26-V28 HydrophobicContact CE-CG2 3.5Å; M26-V28 PolarHBondContact O-N 3.07Å |
| 27 | Q | 35.9 | Very low | 39.9 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | trans | -70.8 | 103.5 | 163.1 | -86 | 176.3 | -28.7 | 0 | 0 | 108.1 | T25 | T25-Q27 VanDerWaalsContact C-N 3.35Å; T25-Q27 PolarHBondContact O-N 3.4Å; T25-Q27 VanDerWaalsContact O-N 3.16Å |
| 28 | V | 40.5 | Very low | 40 | Very low | 99 Ų | 99 | 145.2 Ų | 145.2 | 60% | 0.6 | 80% | 0.802 | S | S | * | * | | | trans | -92.4 | 108 | 161.5 | 178.5 | 0 | 0 | 0 | 0 | 107 | M26 T30 | M26-V28 HydrophobicContact CE-CG2 3.5Å; M26-V28 PolarHBondContact O-N 3.07Å; V28-T30 HydrophobicContact CG1-CG2 4.15Å |
| 29 | R | 35.3 | Very low | 40.2 | Very low | 226 Ų | 226 | 146.5 Ų | 146.5 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | trans | -78.5 | 113 | 166.1 | -74.8 | -176.2 | 162.4 | 138.3 | -2.4 | 108.1 | | |
| 30 | T | 48 | Very low | 40.4 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | -132.7 | 114.2 | 157.7 | 47.4 | 0 | 0 | 0 | 0 | 107 | V28 | V28-T30 HydrophobicContact CG1-CG2 4.15Š|
| 31 | G | 47.7 | Very low | 40.5 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | -68.3 | 145.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 32 | D | 39.4 | Very low | 40.8 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | | | trans | 7.3 | 117 | 143.3 | -48.1 | -27.7 | 0 | 0 | 0 | 116.5 | | |
| 33 | T | 45.3 | Very low | 40.9 | Very low | 136 Ų | 136 | 146 Ų | 146 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | | -175.6 | 134.7 | 106 | 27.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 34 | S | 38.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | -38.9 | 134.2 | 171.8 | 52.2 | 0 | 0 | 0 | 0 | 115 | | |
| 35 | T | 43 | Very low | 41.1 | Very low | 139 Ų | 139 | 144 Ų | 144 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | | -170.4 | 122.2 | 129.9 | 14.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 36 | S | 35.1 | Very low | 41 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | trans | -51.9 | 140.1 | 162.6 | 59.5 | 0 | 0 | 0 | 0 | 110 | | |
| 37 | L | 44.1 | Very low | 41.1 | Very low | 169 Ų | 169 | 148.3 Ų | 148.3 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -164.9 | 120.6 | 136.5 | -99.8 | 170.5 | 0 | 0 | 0 | 109.1 | | |
| 38 | L | 40.7 | Very low | 41.3 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -54.9 | 134.1 | 170.4 | -61.7 | 156.2 | 0 | 0 | 0 | 110.4 | | |
| 39 | L | 44.8 | Very low | 41.2 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -164.2 | 125.1 | 148.3 | -106.2 | 134 | 0 | 0 | 0 | 112 | | |
| 40 | L | 45.3 | Very low | 41.5 | Very low | 156 Ų | 156 | 143 Ų | 143 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | | | trans | -62 | 158.5 | -177.6 | -73.4 | 139.4 | 0 | 0 | 0 | 114.2 | | |
| 41 | P | 40.3 | Very low | 41.2 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | | | trans | -86.5 | 130.3 | 171.9 | 34.6 | -28.1 | 0 | 0 | 0 | 110.4 | | |
| 42 | L | 44.6 | Very low | 40.5 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | trans | -135 | 129.9 | 170.7 | -95.8 | 174.5 | 0 | 0 | 0 | 110.8 | | |
| 43 | Q | 40.4 | Very low | 40.9 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 73% | 0.729 | 82% | 0.82 | S | S | * | * | | | trans | 89.7 | 92.2 | 152.6 | -60.7 | -166.8 | -3.2 | 0 | 0 | 119.8 | | |
| 44 | L | 37.1 | Very low | 40.4 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 91% | 0.906 | 83% | 0.826 | S | S | * | * | | | | -30.3 | 123.2 | 128.9 | -73.8 | 158.2 | 0 | 0 | 0 | 113.3 | | |
| 45 | L | 40.9 | Very low | 40.7 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | -125.4 | 114.6 | 147.5 | -103.3 | 92 | 0 | 0 | 0 | 109.6 | | |
| 46 | R | 37.8 | Very low | 40.5 | Very low | 237 Ų | 237 | 146 Ų | 146 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | | | trans | -56.3 | 133.5 | 161.1 | -89.5 | 167.8 | 159.3 | 125.1 | -4.7 | 109.8 | | |
| 47 | C | 38.2 | Very low | 40.8 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 91% | 0.905 | 82% | 0.824 | S | S | * | * | | | trans | -117 | 115.6 | 152.9 | -93.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 48 | S | 40.5 | Very low | 40.5 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 68% | 0.678 | 82% | 0.818 | S | S | * | * | | | trans | -76.2 | 139.7 | 174.4 | -46.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 49 | S | 38.2 | Very low | 40.6 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | 43.9 | 110.5 | 142 | 60.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 50 | L | 41 | Very low | 40.3 | Very low | 173 Ų | 173 | 140.7 Ų | 140.7 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -146 | 147.7 | 141.7 | -100.7 | 120.2 | 0 | 0 | 0 | 110.7 | | |
| 51 | P | 42.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -92.9 | 165.1 | -157.9 | 37.1 | -31.6 | 0 | 0 | 0 | 113.6 | S53 | P51-S53 PolarHBondContact O-N 3.07Š|
| 52 | D | 33.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -46.9 | 122.6 | 179.1 | -55.9 | -59.1 | 0 | 0 | 0 | 113.9 | | |
| 53 | S | 46 | Very low | 39.7 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -131.5 | 110.6 | 156.6 | 69.8 | 0 | 0 | 0 | 0 | 109.4 | P51 G55 | P51-S53 PolarHBondContact O-N 3.07Å; S53-G55 PolarHBondContact O-N 3.21Å |
| 54 | E | 36 | Very low | 39.9 | Very low | 206 Ų | 206 | 140.9 Ų | 140.9 | 96% | 0.963 | 80% | 0.796 | S | S | * | * | | | trans | -35.4 | 114.4 | 169.4 | -60 | -98.2 | 124.1 | 0 | 0 | 112.5 | | |
| 55 | G | 44.3 | Very low | 40.2 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | -148.2 | 90.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | S53 V57 | S53-G55 PolarHBondContact O-N 3.21Å; G55-V57 PolarHBondContact O-N 3.1Å; G55-V57 VanDerWaalsContact O-N 3.08Å |
| 56 | S | 38 | Very low | 40.3 | Very low | 128 Ų | 128 | 146 Ų | 146 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | trans | -64.1 | 102.8 | 174.7 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 57 | V | 42.2 | Very low | 40.7 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | trans | -92.8 | 104.7 | 168.6 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | G55 I59 | G55-V57 PolarHBondContact O-N 3.1Å; G55-V57 VanDerWaalsContact O-N 3.08Å; V57-I59 HydrophobicContact CG1-CG1 4.03Å; V57-I59 PolarHBondContact O-N 2.93Å |
| 58 | S | 36.9 | Very low | 41.1 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -77.2 | 112.2 | 172 | -166.2 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | I | 43.3 | Very low | 41.2 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 62% | 0.621 | 80% | 0.795 | S | S | * | * | | | trans | -102 | 102.3 | 174.9 | -55.6 | 177.2 | 0 | 0 | 0 | 107.8 | V57 F61 | V57-I59 HydrophobicContact CG1-CG1 4.03Å; V57-I59 PolarHBondContact O-N 2.93Å; I59-F61 HydrophobicContact CG2-CD2 3.88Å; I59-F61 HydrophobicContact CG2-CE2 3.62Å; I59-F61 HydrophobicContact CG2-CZ 4.38Å; I59-F61 PolarHBondContact O-N 2.84Å |
| 60 | N | 38.4 | Very low | 41.1 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 117.4 | 166.5 | -86.6 | -61.6 | 0 | 0 | 0 | 109.1 | | |
| 61 | F | 35.4 | Very low | 41.3 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 77% | 0.768 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 139 | 164.2 | -88.4 | -85.3 | 0 | 0 | 0 | 110.1 | I59 I63 | I59-F61 HydrophobicContact CG2-CD2 3.88Å; I59-F61 HydrophobicContact CG2-CE2 3.62Å; I59-F61 HydrophobicContact CG2-CZ 4.38Å; I59-F61 PolarHBondContact O-N 2.84Å; F61-I63 PolarHBondContact O-N 2.88Å |
| 62 | P | 41.9 | Very low | 41 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 124.2 | -176.8 | 29.9 | -31.8 | 0 | 0 | 0 | 110.1 | M64 | P62-M64 PolarHBondContact O-N 3.36Å; P62-M64 VanDerWaalsContact O-N 3.11Å |
| 63 | I | 41.4 | Very low | 41.7 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | | | trans | -70.6 | 102.6 | 171 | -60.9 | 173.1 | 0 | 0 | 0 | 107.7 | F61 Y65 | F61-I63 PolarHBondContact O-N 2.88Å; I63-Y65 HydrophobicContact CG2-CD2 3.8Å; I63-Y65 HydrophobicContact CG2-CE2 3.94Å; I63-Y65 PolarHBondContact O-N 3.45Å; I63-Y65 VanDerWaalsContact O-N 3.16Å |
| 64 | M | 44.1 | Very low | 41.8 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | | | trans | -74.2 | 97.9 | 166.5 | -81.9 | -81.8 | -79.1 | 0 | 0 | 108.9 | P62 W66 | P62-M64 PolarHBondContact O-N 3.36Å; P62-M64 VanDerWaalsContact O-N 3.11Å; M64-W66 PolarHBondContact O-N 3.33Å |
| 65 | Y | 44 | Very low | 41.9 | Very low | 206 Ų | 206 | 126.5 Ų | 126.5 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.2 | 167.3 | -98.6 | -97.8 | 0 | 0 | 0 | 110 | I63 | I63-Y65 HydrophobicContact CG2-CD2 3.8Å; I63-Y65 HydrophobicContact CG2-CE2 3.94Å; I63-Y65 PolarHBondContact O-N 3.45Å; I63-Y65 VanDerWaalsContact O-N 3.16Å |
| 66 | W | 42.5 | Very low | 41.9 | Very low | 226 Ų | 226 | 131.3 Ų | 131.3 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 131.1 | 165.5 | -82.7 | 54.2 | 0 | 0 | 0 | 109.3 | M64 S68 | M64-W66 PolarHBondContact O-N 3.33Å; W66-S68 PolarHBondContact O-N 3.13Å |
| 67 | P | 46.2 | Very low | 42.1 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 122.5 | -177.6 | 30.3 | -30.5 | 0 | 0 | 0 | 109.7 | G69 | P67-G69 PolarHBondContact O-N 3.26Š|
| 68 | S | 45.5 | Very low | 42.2 | Very low | 128 Ų | 128 | 131.4 Ų | 131.4 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | -68.7 | 100.6 | 169.2 | -167.7 | 0 | 0 | 0 | 0 | 108.7 | W66 G70 | W66-S68 PolarHBondContact O-N 3.13Å; S68-G70 PolarHBondContact O-N 3.26Å |
| 69 | G | 43.7 | Very low | 42.3 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | -65.8 | 100.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P67 G71 | P67-G69 PolarHBondContact O-N 3.26Å; G69-G71 PolarHBondContact O-N 2.89Å |
| 70 | G | 36.5 | Very low | 42.3 | Very low | 80 Ų | 80 | 131.9 Ų | 131.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -73.6 | 104.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S68 | S68-G70 PolarHBondContact O-N 3.26Š|
| 71 | G | 43.7 | Very low | 42.5 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -92.2 | 101.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G69 | G69-G71 PolarHBondContact O-N 2.89Š|
| 72 | G | 38.1 | Very low | 42.8 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | -74.4 | 150.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 73 | G | 47.5 | Very low | 42.8 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | trans | -170.3 | 153.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 74 | P | 48.9 | Very low | 42.5 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | | | | -102.3 | 158.8 | -108.7 | 15.3 | -1.6 | 0 | 0 | 0 | 115.3 | | |
| 75 | L | 37.7 | Very low | 42.2 | Very low | 164 Ų | 164 | 124.7 Ų | 124.7 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | trans | -40.8 | 134 | 164.1 | -77.3 | 128.4 | 0 | 0 | 0 | 112.7 | | |
| 76 | D | 43.6 | Very low | 41.8 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | | | trans | -137.9 | 134.8 | 138.1 | -90.1 | -36 | 0 | 0 | 0 | 110.7 | | |
| 77 | S | 42.7 | Very low | 41.7 | Very low | 89 Ų | 89 | 118.7 Ų | 118.7 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | | | trans | -56.8 | 147.2 | -174 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 78 | M | 43.7 | Very low | 41.1 | Very low | 166 Ų | 166 | 118 Ų | 118 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | 168.3 | 110.1 | 104.3 | -86.5 | -172.6 | -179.4 | 0 | 0 | 112 | | |
| 79 | T | 39.3 | Very low | 40.8 | Very low | 123 Ų | 123 | 119.9 Ų | 119.9 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | | 66.1 | 125.7 | 125.8 | -20 | 0 | 0 | 0 | 0 | 120.7 | | |
| 80 | T | 44.3 | Very low | 40.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 71% | 0.712 | 78% | 0.781 | S | S | * | * | | | trans | 112.6 | 89.5 | 136 | -18.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 81 | S | 42.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | | 67.6 | 136.9 | 125.9 | -50.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 82 | P | 41.3 | Very low | 40.6 | Very low | 127 Ų | 127 | 126.3 Ų | 126.3 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -105.1 | 155.3 | 177.3 | 39.6 | -30.9 | 0 | 0 | 0 | 114.4 | | |
| 83 | S | 41 | Very low | 40.9 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -145 | 108.3 | 157.1 | 65.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 84 | V | 35.6 | Very low | 40.5 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | | 38.1 | 105.2 | 93.1 | -156.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 85 | S | 38.6 | Very low | 40.3 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -148.9 | 110.3 | 146.7 | -158.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 86 | S | 34.3 | Very low | 40.3 | Very low | 93 Ų | 93 | 122.9 Ų | 122.9 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -77.7 | 138.2 | 167.1 | 47.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 87 | Y | 41 | Very low | 40.3 | Very low | 213 Ų | 213 | 124.2 Ų | 124.2 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -140.3 | 110.2 | 151.1 | -91.1 | -81.5 | 0 | 0 | 0 | 109.7 | | |
| 88 | S | 33.2 | Very low | 40.2 | Very low | 108 Ų | 108 | 128.5 Ų | 128.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -86.2 | 138.4 | 161.3 | -61.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 89 | I | 40.1 | Very low | 40.1 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -132.3 | 129 | 152.7 | -68.6 | -177.5 | 0 | 0 | 0 | 107.6 | | |
| 90 | S | 41.2 | Very low | 39.9 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 80% | 0.799 | S | S | * | * | | | trans | -87.2 | 162 | -167.7 | -38.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 91 | D | 36.9 | Very low | 39.8 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | | | trans | 61.9 | 120.9 | 143 | -55.2 | -33.2 | 0 | 0 | 0 | 120.1 | | |
| 92 | V | 41.9 | Very low | 39.8 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | | | | -167.8 | 102.1 | 113.4 | 150.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 93 | T | 43.3 | Very low | 39.7 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 83% | 0.828 | 81% | 0.805 | S | S | * | * | | | | 29.4 | 126.4 | 127.2 | -24.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 94 | G | 40.4 | Very low | 40.5 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 158.4 | 104.3 | 145.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 95 | G | 43.5 | Very low | 41 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | 93.4 | 88 | 143.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 96 | G | 37.3 | Very low | 41.4 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -82.9 | 144.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 97 | E | 44.5 | Very low | 41.9 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | -134.1 | 126.7 | 154.2 | -157.2 | 164.3 | 121.6 | 0 | 0 | 109.2 | | |
| 98 | Q | 40.4 | Very low | 42 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | | | trans | -79.7 | 143.7 | -177.7 | -63.5 | 163.6 | 42.8 | 0 | 0 | 109.2 | | |
| 99 | T | 41.7 | Very low | 42.2 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | trans | -169.6 | 99.5 | 131.6 | 14.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 100 | R | 36.1 | Very low | 42.1 | Very low | 236 Ų | 236 | 139.1 Ų | 139.1 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | trans | -65.5 | 143.1 | 147.7 | -70.2 | -175 | 174.1 | -175.1 | -1.2 | 107.3 | | |
| 101 | I | 41.5 | Very low | 42 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | | | trans | -179.3 | 123.2 | 138 | -88.4 | 146.6 | 0 | 0 | 0 | 109.8 | | |
| 102 | A | 43 | Very low | 42.1 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | 57.2 | 117.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 103 | L | 38.7 | Very low | 42 | Very low | 169 Ų | 169 | 137 Ų | 137 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | | | trans | -40.5 | 150.8 | 145 | -69.8 | 141.1 | 0 | 0 | 0 | 113.3 | | |
| 104 | P | 56.7 | Low | 42 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | trans | -122.1 | 139.6 | 137.5 | 30.6 | -17.4 | 0 | 0 | 0 | 112.3 | | |
| 105 | S | 46.7 | Very low | 42.2 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | | | trans | -53.4 | 159.2 | 175.9 | -63.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 106 | P | 46.3 | Very low | 41.9 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -83.9 | 132.9 | -179.2 | 34.2 | -30.8 | 0 | 0 | 0 | 110.4 | | |
| 107 | M | 44.8 | Very low | 42 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | trans | -137.7 | 122.9 | 163.2 | -77.2 | -167.6 | 70.5 | 0 | 0 | 110.8 | | |
| 108 | S | 44 | Very low | 41.9 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | | 89.6 | 114.9 | 128.2 | 69.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 109 | L | 38 | Very low | 42.2 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 73% | 0.733 | 80% | 0.797 | S | S | * | * | | | trans | 92.6 | 101.3 | 131.5 | -61.8 | 157.7 | 0 | 0 | 0 | 118.7 | | |
| 110 | W | 38.3 | Very low | 42.2 | Very low | 246 Ų | 246 | 135.5 Ų | 135.5 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | | -167.6 | 102.1 | 116 | -82.8 | -39.1 | 0 | 0 | 0 | 107.6 | | |
| 111 | S | 38.1 | Very low | 42.5 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 69.2 | 78.6 | 90.7 | -66.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 112 | S | 39 | Very low | 42.5 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | -86.2 | 137.2 | 159.2 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 113 | S | 38.9 | Very low | 42.6 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | | | trans | 59.6 | 118.5 | 141.3 | -49.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 114 | S | 44.5 | Very low | 43 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | 164.7 | 143.3 | 94 | -65.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 115 | A | 43.8 | Very low | 42.4 | Very low | 109 Ų | 109 | 131.3 Ų | 131.3 | 90% | 0.901 | 78% | 0.784 | S | S | * | * | | | trans | -50 | 143.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 116 | G | 38.5 | Very low | 42.4 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -114.8 | 162.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 117 | S | 39.1 | Very low | 42.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | 87.5 | 97.6 | 178.8 | -148.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 118 | S | 41.9 | Very low | 42.1 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | cis | 58.8 | 95.4 | 40.8 | -171.5 | 0 | 0 | 0 | 0 | 114 | | |
| 119 | Y | 46.8 | Very low | 42.2 | Very low | 204 Ų | 204 | 134.6 Ų | 134.6 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | | -169.8 | 115.6 | 120.2 | 48.8 | -97.1 | 0 | 0 | 0 | 106.2 | | |
| 120 | D | 41.2 | Very low | 43 | Very low | 140 Ų | 140 | 135.7 Ų | 135.7 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | | | | 91.4 | 127 | 72 | -132.7 | -31.5 | 0 | 0 | 0 | 114 | | |
| 121 | T | 43.8 | Very low | 43.4 | Very low | 123 Ų | 123 | 129.2 Ų | 129.2 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 71.2 | 118.6 | 151.2 | 14.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 122 | S | 40.6 | Very low | 43.4 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | | | trans | -55.9 | 139.9 | 167.5 | -25.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 123 | D | 45.6 | Very low | 43.6 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | trans | -158.8 | 122.2 | 138.9 | -102.8 | -28.9 | 0 | 0 | 0 | 113.2 | | |
| 124 | L | 46.9 | Very low | 44.1 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | | | trans | -5.5 | 127.2 | 150.7 | -52.7 | 167.4 | 0 | 0 | 0 | 117.4 | | |
| 125 | L | 44.6 | Very low | 43.9 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | | 164.6 | 137.1 | 109.9 | -90.2 | 162 | 0 | 0 | 0 | 112.6 | | |
| 126 | L | 45 | Very low | 43.9 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -48.5 | 136.9 | 170.2 | -69.8 | 77.5 | 0 | 0 | 0 | 112.8 | | |
| 127 | K | 44.7 | Very low | 44.4 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | | 179.3 | 132.5 | 111.8 | -94.4 | 149.4 | -175.8 | 175.9 | 0 | 112.6 | | |
| 128 | S | 40.6 | Very low | 44.5 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -38.7 | 136.1 | 162.7 | 49.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 129 | S | 47 | Very low | 45.2 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | | 176.8 | 137.2 | 113.3 | -77.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 130 | I | 53 | Low | 45.1 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -83.8 | -178.3 | -179.7 | -37.5 | 176 | 0 | 0 | 0 | 109 | | |
| 131 | P | 47.9 | Very low | 45.5 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | | -118.3 | 172.9 | -91.6 | 37.4 | -21.2 | 0 | 0 | 0 | 113.4 | | |
| 132 | F | 38.6 | Very low | 45.7 | Very low | 197 Ų | 197 | 146.8 Ų | 146.8 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -158.6 | 124.7 | 152.2 | -134.8 | -97.6 | 0 | 0 | 0 | 110.5 | | |
| 133 | S | 43.2 | Very low | 46 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -93.9 | 145.7 | 161 | -71.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 134 | P | 49 | Very low | 46 | Very low | 105 Ų | 105 | 149.7 Ų | 149.7 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | | -152.5 | 151 | 113.1 | 34.5 | -15.1 | 0 | 0 | 0 | 116.4 | | |
| 135 | F | 39.7 | Very low | 46.1 | Very low | 197 Ų | 197 | 151.2 Ų | 151.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | 46.7 | 118.4 | 140.2 | -92.9 | -106.1 | 0 | 0 | 0 | 122.8 | | |
| 136 | H | 43.4 | Very low | 46 | Very low | 160 Ų | 160 | 151.9 Ų | 151.9 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 65.9 | 106.7 | 130.1 | -141.3 | -92.1 | 0 | 0 | 0 | 120.1 | | |
| 137 | H | 48.6 | Very low | 45.7 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -142.3 | 110.9 | 152.5 | -157.9 | -92.1 | 0 | 0 | 0 | 111.4 | Q139 | H137-Q139 PolarHBondContact CE1-OE1 2.95Š|
| 138 | H | 41.4 | Very low | 45.4 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 73% | 0.731 | 79% | 0.789 | S | S | * | * | | | trans | -92.7 | 116.3 | 173.4 | 178.5 | 89.2 | 0 | 0 | 0 | 107.9 | | |
| 139 | Q | 57.3 | Low | 45.3 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | | | trans | -144.9 | 98.8 | 170.5 | -167 | 149.7 | 38.2 | 0 | 0 | 112.8 | H137 | H137-Q139 PolarHBondContact CE1-OE1 2.95Š|
| 140 | Q | 45.4 | Very low | 45 | Very low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | 29 | 117 | 136.5 | -63.9 | 171.9 | 7.1 | 0 | 0 | 119.1 | | |
| 141 | Q | 49 | Very low | 44.5 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | trans | -130.7 | 122.3 | 134.2 | -74.5 | -173.3 | 3.6 | 0 | 0 | 109.1 | | |
| 142 | A | 47.5 | Very low | 44.1 | Very low | 83 Ų | 83 | 150.2 Ų | 150.2 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | trans | -100.5 | 167 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 143 | T | 46.6 | Very low | 44.2 | Very low | 136 Ų | 136 | 146.6 Ų | 146.6 | 83% | 0.834 | 79% | 0.793 | S | S | * | * | | | trans | 81.4 | 99.9 | 159 | 75.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 144 | M | 46.4 | Very low | 44.2 | Very low | 183 Ų | 183 | 146 Ų | 146 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | | -158.1 | 106.2 | 118.1 | -122.9 | -178.1 | 91.4 | 0 | 0 | 109.7 | | |
| 145 | E | 48.6 | Very low | 43.9 | Very low | 180 Ų | 180 | 144.4 Ų | 144.4 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | | | trans | -75.7 | 140.5 | 168.8 | -61.3 | 179.7 | 141.8 | 0 | 0 | 110.1 | | |
| 146 | Q | 42.2 | Very low | 44.2 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -171.2 | 104.2 | 137.8 | -105.4 | 165.2 | 47.8 | 0 | 0 | 112 | | |
| 147 | S | 40.6 | Very low | 44.6 | Very low | 101 Ų | 101 | 140.9 Ų | 140.9 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | 39.8 | 113.3 | 137.1 | 64.3 | 0 | 0 | 0 | 0 | 120.4 | | |
| 148 | C | 38.2 | Very low | 44.7 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 92% | 0.919 | 81% | 0.807 | S | S | * | * | | | trans | -157.1 | 88.6 | 134.5 | -87.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 149 | C | 38.7 | Very low | 45.7 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -81.7 | 160 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 150 | L | 40 | Very low | 45.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | trans | 100.4 | 92 | 163.1 | -53 | 168.2 | 0 | 0 | 0 | 116 | | |
| 151 | H | 41.6 | Very low | 45.5 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | | -162.7 | 130.1 | 103.6 | -95.5 | 97.8 | 0 | 0 | 0 | 111.3 | | |
| 152 | S | 40.2 | Very low | 45.4 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | -85.4 | 168.2 | -175.3 | -56.3 | 0 | 0 | 0 | 0 | 114 | | |
| 153 | S | 40.7 | Very low | 45.4 | Very low | 120 Ų | 120 | 140.5 Ų | 140.5 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | 106.2 | 135.8 | 153.3 | 77.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 154 | A | 43.7 | Very low | 45.1 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | | | cis | -179.6 | 143.4 | -18.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 155 | G | 41.9 | Very low | 44.9 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 82.9 | 133.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 156 | D | 45.7 | Very low | 44.4 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | cis | -155.6 | 155.5 | 9.3 | -83.5 | -47.6 | 0 | 0 | 0 | 107.9 | | |
| 157 | P | 52.8 | Low | 44.4 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | trans | -88.8 | 114.9 | 174.1 | 32.9 | -27.3 | 0 | 0 | 0 | 111.2 | | |
| 158 | E | 49.8 | Very low | 44.6 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 140.8 | 168.4 | -93.8 | -146.7 | 150 | 0 | 0 | 112 | | |
| 159 | P | 62.8 | Low | 45 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 159.4 | -179 | 32.9 | -35 | 0 | 0 | 0 | 113 | V161 | P159-V161 PolarHBondContact O-N 3.01Š|
| 160 | P | 54.2 | Low | 44.9 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 126.5 | -175.3 | 29.2 | -33.7 | 0 | 0 | 0 | 111.5 | T162 | P160-T162 PolarHBondContact O-N 3.28Å; P160-T162 VanDerWaalsContact O-N 3.11Å |
| 161 | V | 44.7 | Very low | 45.2 | Very low | 130 Ų | 130 | 140 Ų | 140 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | | | trans | -72.9 | 101.1 | 173.8 | -148.3 | 0 | 0 | 0 | 0 | 108.6 | P159 Y163 | P159-V161 PolarHBondContact O-N 3.01Å; V161-Y163 PolarHBondContact O-N 3.48Å |
| 162 | T | 47.1 | Very low | 45.1 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | -70.1 | 121.3 | 169.5 | 42.4 | 0 | 0 | 0 | 0 | 109.9 | P160 G164 | P160-T162 PolarHBondContact O-N 3.28Å; P160-T162 VanDerWaalsContact O-N 3.11Å; T162-G164 PolarHBondContact O-N 2.85Å |
| 163 | Y | 46.3 | Very low | 45.6 | Very low | 229 Ų | 229 | 138.6 Ų | 138.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -63.9 | 102.5 | 171.2 | -74.2 | -91.7 | 0 | 0 | 0 | 109.9 | V161 I165 | V161-Y163 PolarHBondContact O-N 3.48Å; Y163-I165 PolarHBondContact O-N 3.22Å |
| 164 | G | 40.2 | Very low | 45.3 | Very low | 74 Ų | 74 | 136.5 Ų | 136.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | trans | -74.1 | 106.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | T162 G166 | T162-G164 PolarHBondContact O-N 2.85Å; G164-G166 PolarHBondContact O-N 2.9Å; G164-G166 VanDerWaalsContact O-N 3.08Å |
| 165 | I | 42.4 | Very low | 45.6 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 101.5 | 167.5 | -57.3 | 173.3 | 0 | 0 | 0 | 106.2 | Y163 E167 | Y163-I165 PolarHBondContact O-N 3.22Å; I165-E167 PolarHBondContact O-N 3.42Å |
| 166 | G | 38.6 | Very low | 45.6 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 80% | 0.801 | S | S | * | * | | | trans | -70.5 | 113.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | G164 Y168 | G164-G166 PolarHBondContact O-N 2.9Å; G164-G166 VanDerWaalsContact O-N 3.08Å; G166-Y168 PolarHBondContact O-N 3.14Å; G166-Y168 VanDerWaalsContact O-N 3.1Å |
| 167 | E | 41.2 | Very low | 45.7 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | | | trans | -51.3 | 107.9 | 169.1 | -66.9 | 170 | 143.7 | 0 | 0 | 110.2 | I165 A169 | I165-E167 PolarHBondContact O-N 3.42Å; E167-A169 PolarHBondContact O-N 2.85Å |
| 168 | Y | 45.7 | Very low | 45.8 | Very low | 207 Ų | 207 | 139.7 Ų | 139.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -78.3 | 114.3 | 164 | 41.9 | -87.5 | 0 | 0 | 0 | 107.9 | G166 N170 | G166-Y168 PolarHBondContact O-N 3.14Å; G166-Y168 VanDerWaalsContact O-N 3.1Å; Y168-N170 PolarHBondContact O-N 3.27Å; Y168-N170 VanDerWaalsContact O-N 3.1Å |
| 169 | A | 47 | Very low | 45.6 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -50.5 | 114.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E167 R171 | E167-A169 PolarHBondContact O-N 2.85Å; A169-R171 PolarHBondContact O-N 3.12Å |
| 170 | N | 36.3 | Very low | 45.3 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -68.7 | 94 | 171.3 | -135.4 | -29.8 | 0 | 0 | 0 | 108.4 | Y168 S172 | Y168-N170 PolarHBondContact O-N 3.27Å; Y168-N170 VanDerWaalsContact O-N 3.1Å; N170-S172 PolarHBondContact O-N 3.43Å |
| 171 | R | 46.3 | Very low | 45.1 | Very low | 230 Ų | 230 | 143 Ų | 143 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | | | trans | -89.4 | 88.8 | 166.7 | -98.9 | -176.4 | 175.7 | -109.1 | 1 | 108.6 | A169 L173 | A169-R171 PolarHBondContact O-N 3.12Å; R171-L173 PolarHBondContact O-N 2.88Å |
| 172 | S | 39.9 | Very low | 45.5 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 110.2 | 159.8 | -69.4 | 0 | 0 | 0 | 0 | 110.4 | N170 | N170-S172 PolarHBondContact O-N 3.43Š|
| 173 | L | 49.6 | Very low | 45.4 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | | | trans | -157.5 | 95.4 | 146 | -67.8 | -177.2 | 0 | 0 | 0 | 103.4 | R171 | R171-L173 PolarHBondContact O-N 2.88Š|
| 174 | G | 35.8 | Very low | 45.5 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | | | | 87.5 | 57.1 | 62.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 175 | V | 49.9 | Very low | 46.3 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -155.9 | 107.4 | 156 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | I177 | V175-I177 HydrophobicContact CG1-CG1 4.01Å; V175-I177 PolarHBondContact O-N 3.39Å; V175-I177 VanDerWaalsContact O-N 3.16Å |
| 176 | D | 40.3 | Very low | 46.8 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | -64.7 | 107.5 | 169.9 | -60.6 | -65.4 | 0 | 0 | 0 | 109.5 | | |
| 177 | I | 49.2 | Very low | 47 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | | | trans | -107 | 113.9 | 169.5 | -58.2 | 176.7 | 0 | 0 | 0 | 106.7 | V175 W179 | V175-I177 HydrophobicContact CG1-CG1 4.01Å; V175-I177 PolarHBondContact O-N 3.39Å; V175-I177 VanDerWaalsContact O-N 3.16Å; I177-W179 PolarHBondContact O-N 3.3Å |
| 178 | P | 55.1 | Low | 47.5 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -64.8 | 110.2 | 172.1 | -13.2 | 26.9 | 0 | 0 | 0 | 108.1 | P180 | P178-P180 WeakPolarHBondContact O-CD 3.43Š|
| 179 | W | 44.1 | Very low | 47.2 | Very low | 231 Ų | 231 | 130 Ų | 130 | 88% | 0.875 | 78% | 0.775 | S | S | * | * | | | trans | -65.1 | 123.6 | 169.3 | -64.6 | 87.7 | 0 | 0 | 0 | 107.4 | I177 V181 | I177-W179 PolarHBondContact O-N 3.3Å; W179-V181 PolarHBondContact O-N 3.46Å |
| 180 | P | 56.6 | Low | 47.1 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | | | trans | -64.7 | 126.5 | 173.5 | 27.9 | -30.3 | 0 | 0 | 0 | 106.9 | P178 V182 | P178-P180 WeakPolarHBondContact O-CD 3.43Å; P180-V182 VanDerWaalsContact C-N 3.25Å; P180-V182 HydrophobicContact CG-CG2 4.42Å; P180-V182 PolarHBondContact O-N 2.87Å |
| 181 | V | 50.5 | Low | 47.7 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | | | trans | -57.5 | 95.3 | 165.4 | 169.2 | 0 | 0 | 0 | 0 | 106.8 | W179 S183 | W179-V181 PolarHBondContact O-N 3.46Å; V181-S183 PolarHBondContact O-N 2.96Å; V181-S183 VanDerWaalsContact O-N 3.16Å |
| 182 | V | 53.2 | Low | 47.5 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | | | trans | -78.9 | 99.8 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | P180 M184 | P180-V182 VanDerWaalsContact C-N 3.25Å; P180-V182 HydrophobicContact CG-CG2 4.42Å; P180-V182 PolarHBondContact O-N 2.87Å; V182-M184 VanDerWaalsContact C-N 3.31Å; V182-M184 HydrophobicContact CG1-CB 4.2Å; V182-M184 HydrophobicContact CG1-CG 3.69Å; V182-M184 HydrophobicContact CG1-SD 4.07Å; V182-M184 PolarHBondContact O-N 3.47Å |
| 183 | S | 46 | Very low | 48.1 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | trans | -62.1 | 94.8 | 163.1 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | V181 | V181-S183 PolarHBondContact O-N 2.96Å; V181-S183 VanDerWaalsContact O-N 3.16Å |
| 184 | M | 46.6 | Very low | 48.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -123.3 | 83.7 | 168.6 | -92.1 | -172 | 165.2 | 0 | 0 | 108.6 | V182 | V182-M184 VanDerWaalsContact C-N 3.31Å; V182-M184 HydrophobicContact CG1-CB 4.2Å; V182-M184 HydrophobicContact CG1-CG 3.69Å; V182-M184 HydrophobicContact CG1-SD 4.07Å; V182-M184 PolarHBondContact O-N 3.47Å |
| 185 | V | 57.3 | Low | 48.4 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | | | trans | -128.5 | 105.8 | 158.3 | -177.2 | 0 | 0 | 0 | 0 | 107.1 | A187 | V185-A187 PolarHBondContact O-N 2.95Š|
| 186 | P | 53.7 | Low | 48.2 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -72.8 | 117 | 155.9 | 2.1 | 15.7 | 0 | 0 | 0 | 106.7 | V188 | P186-V188 PolarHBondContact O-N 3.14Š|
| 187 | A | 42.8 | Very low | 48.3 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -60.5 | 100.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V185 | V185-A187 PolarHBondContact O-N 2.95Š|
| 188 | V | 51 | Low | 48 | Very low | 128 Ų | 128 | 143 Ų | 143 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -124 | 123.7 | 164.3 | -176.8 | 0 | 0 | 0 | 0 | 106.8 | P186 R190 | P186-V188 PolarHBondContact O-N 3.14Å; V188-R190 PolarHBondContact O-N 3.43Å |
| 189 | G | 40 | Very low | 47.3 | Very low | 78 Ų | 78 | 146.7 Ų | 146.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -45.4 | 118.9 | -161.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R191 | G189-R191 PolarHBondContact O-N 3.23Å; G189-R191 VanDerWaalsContact O-N 3.16Å |
| 190 | R | 44.9 | Very low | 47.4 | Very low | 231 Ų | 231 | 140.2 Ų | 140.2 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | | | trans | -71.8 | 100.4 | 166.5 | -65 | -176.2 | -163.7 | -118.7 | 4 | 108.8 | V188 A192 | V188-R190 PolarHBondContact O-N 3.43Å; R190-A192 PolarHBondContact O-N 2.95Å |
| 191 | R | 48.7 | Very low | 46.4 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 105.7 | 148.3 | -91.5 | -172.3 | -81.6 | -118.6 | -0.1 | 106.5 | G189 T193 | G189-R191 PolarHBondContact O-N 3.23Å; G189-R191 VanDerWaalsContact O-N 3.16Å; R191-T193 VanDerWaalsContact C-N 3.3Å; R191-T193 PolarHBondContact O-N 2.88Å |
| 192 | A | 42.1 | Very low | 46.2 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -66 | 87.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | R190 | R190-A192 PolarHBondContact O-N 2.95Š|
| 193 | T | 53.6 | Low | 45.6 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -93.1 | 116.8 | 158.3 | 56.5 | 0 | 0 | 0 | 0 | 106.5 | R191 G195 | R191-T193 VanDerWaalsContact C-N 3.3Å; R191-T193 PolarHBondContact O-N 2.88Å; T193-G195 PolarHBondContact O-N 2.75Å |
| 194 | K | 49.1 | Very low | 45.5 | Very low | 215 Ų | 215 | 141.9 Ų | 141.9 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | | | trans | -65.7 | 77.3 | 171.2 | -164.4 | 169.9 | -173.5 | 169.1 | 0 | 107.6 | R196 | K194-R196 VanDerWaalsContact C-N 3.28Å; K194-R196 PolarHBondContact O-N 3.23Å |
| 195 | G | 42.5 | Very low | 45.7 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -82.4 | 69.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T193 C197 | T193-G195 PolarHBondContact O-N 2.75Å; G195-C197 PolarHBondContact O-N 3.15Å |
| 196 | R | 45.1 | Very low | 45 | Very low | 200 Ų | 200 | 141.2 Ų | 141.2 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | | | trans | -43.8 | 131.7 | 150 | 178.7 | -178.6 | -65.8 | -153.7 | -1.4 | 106.5 | K194 R198 | K194-R196 VanDerWaalsContact C-N 3.28Å; K194-R196 PolarHBondContact O-N 3.23Å; R196-R198 WeakPolarHBondContact O-CB 3.46Å; R196-R198 PolarHBondContact O-N 3.36Å |
| 197 | C | 41.9 | Very low | 44.9 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -48.7 | 88.8 | 170.8 | -63.6 | 0 | 0 | 0 | 0 | 109 | G195 | G195-C197 PolarHBondContact O-N 3.15Š|
| 198 | R | 44.3 | Very low | 44.7 | Very low | 209 Ų | 209 | 144.3 Ų | 144.3 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | | | trans | -108 | 104.9 | -179.2 | -97.5 | -164.2 | 167.4 | -166.8 | -1.9 | 104.2 | R196 S200 | R196-R198 WeakPolarHBondContact O-CB 3.46Å; R196-R198 PolarHBondContact O-N 3.36Å; R198-S200 VanDerWaalsContact C-N 3.26Å; R198-S200 PolarHBondContact O-N 3.46Å |
| 199 | E | 39.1 | Very low | 44.4 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | | | trans | -39.8 | 92 | 155.3 | -167 | 155.3 | -154 | 0 | 0 | 109.1 | | |
| 200 | S | 46.5 | Very low | 44.8 | Very low | 95 Ų | 95 | 143.2 Ų | 143.2 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -89.5 | 105.4 | 172.9 | 55.5 | 0 | 0 | 0 | 0 | 106.7 | R198 | R198-S200 VanDerWaalsContact C-N 3.26Å; R198-S200 PolarHBondContact O-N 3.46Å |
| 201 | G | 35.4 | Very low | 44.7 | Very low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | | | trans | -54.5 | 146.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 202 | I | 47.1 | Very low | 44.6 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | | | trans | -136.7 | 103.2 | 169.7 | 8.2 | 166.8 | 0 | 0 | 0 | 106.6 | | |
| 203 | D | 39.1 | Very low | 45.3 | Very low | 155 Ų | 155 | 139 Ų | 139 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -59.8 | 132.7 | 165.5 | -62.3 | -69.3 | 0 | 0 | 0 | 110.4 | | |
| 204 | S | 45 | Very low | 44.9 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 41.2 | 118.5 | 143.1 | -59.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 205 | A | 50.4 | Low | 45.2 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 80% | 0.8 | S | S | * | * | | | | -171.8 | 84.9 | 121.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T207 | A205-T207 PolarHBondContact O-N 2.76Š|
| 206 | D | 41.9 | Very low | 45.4 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 94% | 0.941 | 79% | 0.792 | S | S | * | * | | | trans | -65.6 | 107.1 | 147.9 | -74.6 | -57.4 | 0 | 0 | 0 | 107.5 | | |
| 207 | T | 51.5 | Low | 45.9 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 80% | 0.798 | S | S | * | * | | | trans | -130.4 | 103 | 165 | 46.2 | 0 | 0 | 0 | 0 | 108.9 | A205 G209 | A205-T207 PolarHBondContact O-N 2.76Å; T207-G209 PolarHBondContact O-N 2.9Å |
| 208 | D | 39.2 | Very low | 46 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | | | trans | 24.9 | 81.9 | 143 | -69.3 | -38.6 | 0 | 0 | 0 | 116.8 | S210 | D208-S210 PolarHBondContact O-N 3.47Š|
| 209 | G | 44.9 | Very low | 46.5 | Very low | 84 Ų | 84 | 138 Ų | 138 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | | | trans | -73.6 | 72.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111 | T207 L211 | T207-G209 PolarHBondContact O-N 2.9Å; G209-L211 PolarHBondContact O-N 2.91Å |
| 210 | S | 49.1 | Very low | 46.9 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | trans | -47.7 | 121.6 | 173.3 | 176 | 0 | 0 | 0 | 0 | 112.6 | D208 V212 | D208-S210 PolarHBondContact O-N 3.47Å; S210-V212 PolarHBondContact O-N 3.33Å |
| 211 | L | 42.5 | Very low | 47.3 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | 2.3 | 105 | 146.7 | -80.1 | 151.3 | 0 | 0 | 0 | 115.9 | G209 | G209-L211 PolarHBondContact O-N 2.91Š|
| 212 | V | 46 | Very low | 47.9 | Very low | 136 Ų | 136 | 150.2 Ų | 150.2 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -172.8 | 87.2 | 137.8 | -84.9 | 0 | 0 | 0 | 0 | 109.5 | S210 | S210-V212 PolarHBondContact O-N 3.33Š|
| 213 | M | 57.2 | Low | 47.9 | Very low | 190 Ų | 190 | 150.4 Ų | 150.4 | 94% | 0.936 | 82% | 0.818 | S | S | * | * | | | trans | -104.8 | 98.7 | 162.4 | -72.1 | -70.1 | 174.8 | 0 | 0 | 107.6 | L215 | M213-L215 PolarHBondContact O-N 3.49Å; M213-L215 VanDerWaalsContact O-N 3.15Å |
| 214 | D | 44.8 | Very low | 48 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 75% | 0.754 | 82% | 0.819 | S | S | * | * | | | trans | -58.4 | 106.5 | 173.1 | -177.8 | 3.2 | 0 | 0 | 0 | 110.2 | S216 | D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact O-N 3.48Å; D214-S216 VanDerWaalsContact O-N 3.11Å; D214-S216 PolarHBondContact OD1-OG 3.01Å |
| 215 | L | 55.6 | Low | 48 | Very low | 178 Ų | 178 | 144.8 Ų | 144.8 | 93% | 0.932 | 82% | 0.816 | S | S | * | * | | | trans | -84.6 | 68 | -178.6 | -167.9 | 71.2 | 0 | 0 | 0 | 109.9 | M213 | M213-L215 PolarHBondContact O-N 3.49Å; M213-L215 VanDerWaalsContact O-N 3.15Å |
| 216 | S | 46.7 | Very low | 48.2 | Very low | 69 Ų | 69 | 152.8 Ų | 152.8 | 48% | 0.483 | 83% | 0.828 | S | S | . | * | | | trans | -147 | 83.5 | 178.3 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | D214 | D214-S216 VanDerWaalsContact C-N 3.3Å; D214-S216 PolarHBondContact O-N 3.48Å; D214-S216 VanDerWaalsContact O-N 3.11Å; D214-S216 PolarHBondContact OD1-OG 3.01Å |
| 217 | K | 56.2 | Low | 49 | Very low | 201 Ų | 201 | 155.2 Ų | 155.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | 172 | 116.8 | 145.2 | -92.7 | 151.8 | -164.5 | 179.4 | 0 | 111.5 | | |
| 218 | P | 44.1 | Very low | 49.2 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | | | trans | -92.3 | 103.4 | 173.5 | 33.6 | -25.7 | 0 | 0 | 0 | 109.8 | | |
| 219 | Q | 54.8 | Low | 50 | Low | 187 Ų | 187 | 156.4 Ų | 156.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -126.9 | 101.4 | 168.5 | -74.7 | -148.4 | -40.5 | 0 | 0 | 113.2 | | |
| 220 | R | 47.7 | Very low | 50.2 | Low | 213 Ų | 213 | 160.1 Ų | 160.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -14.7 | 112.7 | 165.1 | -57.3 | -164 | 149 | -173.1 | -4.7 | 117.4 | | |
| 221 | K | 54.6 | Low | 50.3 | Low | 211 Ų | 211 | 160.4 Ų | 160.4 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | | | trans | -119.9 | 103.4 | 145.3 | -77.6 | -176.5 | 177.5 | 179.7 | 0 | 108.9 | | |
| 222 | R | 47.8 | Very low | 50.7 | Low | 195 Ų | 195 | 157.4 Ų | 157.4 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -80.1 | 156.3 | 171.8 | -71.4 | -174.5 | 148.6 | -144.1 | -6.6 | 108.8 | | |
| 223 | T | 46.2 | Very low | 51 | Low | 154 Ų | 154 | 159 Ų | 159 | 95% | 0.945 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 71.3 | 96.6 | 170.4 | 39.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 224 | G | 41.2 | Very low | 51 | Low | 82 Ų | 82 | 159 Ų | 159 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 153.6 | 102.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 225 | G | 46.3 | Very low | 52.2 | Low | 73 Ų | 73 | 154.6 Ų | 154.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | 85.1 | 106.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R227 | G225-R227 VanDerWaalsContact C-N 3.27Å; G225-R227 PolarHBondContact O-N 3.48Å |
| 226 | R | 53.1 | Low | 53.4 | Low | 254 Ų | 254 | 149.3 Ų | 149.3 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | | | trans | -62.2 | 95.2 | 161.4 | -72.3 | -175.5 | 179 | -144.8 | 1.4 | 107.4 | | |
| 227 | R | 60.4 | Low | 55.1 | Low | 226 Ų | 226 | 151.4 Ų | 151.4 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | | | trans | -49.8 | 132.9 | 154.7 | -71.2 | -175.8 | 176 | 171.2 | -2 | 106.3 | G225 K229 | G225-R227 VanDerWaalsContact C-N 3.27Å; G225-R227 PolarHBondContact O-N 3.48Å; R227-K229 PolarHBondContact O-N 3.39Å |
| 228 | P | 55.8 | Low | 56.5 | Low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | -49.7 | 114 | 167.6 | -25.6 | 34.7 | 0 | 0 | 0 | 107.2 | E230 | P228-E230 PolarHBondContact O-N 2.93Š|
| 229 | K | 54.7 | Low | 58.6 | Low | 186 Ų | 186 | 148.1 Ų | 148.1 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | | | trans | -55.2 | 124.3 | 172 | -177.1 | 172.5 | 179.7 | -174.6 | 0 | 105 | R227 E231 | R227-K229 PolarHBondContact O-N 3.39Å; K229-E231 PolarHBondContact O-N 3.25Å |
| 230 | E | 50 | Low | 60.3 | Low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | | | trans | -26.3 | 104.9 | 171.7 | -64.2 | 157.1 | 152.1 | 0 | 0 | 110.7 | P228 S232 | P228-E230 PolarHBondContact O-N 2.93Å; E230-S232 WeakPolarHBondContact CB-OG 3.44Å; E230-S232 PolarHBondContact O-N 3.47Å |
| 231 | E | 50.5 | Low | 62.3 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 49% | 0.491 | 72% | 0.718 | S | S | . | * | | | trans | -74.7 | 53.4 | 152.9 | -68.1 | 165 | -174 | 0 | 0 | 106.7 | K229 M233 L235 R243 | K229-E231 PolarHBondContact O-N 3.25Å; E231-M233 PolarHBondContact O-N 3.03Å; E231-L235 HydrophobicContact CB-CD1 4.29Å; E231-L235 HydrophobicContact CB-CG 4.28Å; E231-L235 VanDerWaalsContact OE2-CD2 3.3Å; E231-L235 WeakPolarHBondContact OE2-CD2 3.45Å; E231-R243 IonicContact OE1-NH2 3.26Å; E231-R243 IonicContact OE2-CZ 3.98Å; E231-R243 IonicContact OE2-NH1 2.67Å; E231-R243 PolarHBondContact OE2-NH1 2.89Å; E231-R243 IonicContact OE2-NH2 3.45Å; E231-R243 PolarHBondContact OE2-NH2 3.46Å |
| 232 | S | 50.2 | Low | 64.2 | Low | 97 Ų | 97 | 137.5 Ų | 137.5 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | | | trans | -70.6 | 28 | 163.5 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | E230 | E230-S232 WeakPolarHBondContact CB-OG 3.44Å; E230-S232 PolarHBondContact O-N 3.47Å |
| 233 | M | 52.8 | Low | 66.2 | Low | 169 Ų | 169 | 132 Ų | 132 | 83% | 0.833 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -122.8 | 91 | 166.1 | -70.5 | -179.3 | 175.8 | 0 | 0 | 104.5 | E231 L235 | E231-M233 PolarHBondContact O-N 3.03Å; M233-L235 PolarHBondContact O-N 2.86Å; M233-L235 VanDerWaalsContact O-N 3.16Å |
| 234 | E | 58.5 | Low | 68.4 | Low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 67% | 0.669 | S | S | * | * | | | trans | 23.1 | 80.6 | 163.6 | -64 | 169.3 | -164 | 0 | 0 | 114.9 | T236 | E234-T236 PolarHBondContact O-N 3.4Š|
| 235 | L | 69.2 | Low | 71 | Confident | 47 Ų | 47 | 133.7 Ų | 133.7 | 25% | 0.246 | 65% | 0.648 | C | S | . | * | | | trans | -53.4 | 129.2 | 157.7 | -79.7 | 147.8 | 0 | 0 | 0 | 107.8 | E231 M233 E239 | E231-L235 HydrophobicContact CB-CD1 4.29Å; E231-L235 HydrophobicContact CB-CG 4.28Å; E231-L235 VanDerWaalsContact OE2-CD2 3.3Å; E231-L235 WeakPolarHBondContact OE2-CD2 3.45Å; M233-L235 PolarHBondContact O-N 2.86Å; M233-L235 VanDerWaalsContact O-N 3.16Å; L235-E239 HydrophobicContact CD2-CB 3.75Å |
| 236 | T | 80.1 | Confident | 73.3 | Confident | 68 Ų | 68 | 137.9 Ų | 137.9 | 42% | 0.417 | 64% | 0.641 | S | S | . | * | | | trans | -55.9 | 142.8 | 170.7 | 54.5 | 0 | 0 | 0 | 0 | 108.1 | E234 E238 E239 E240 | E234-T236 PolarHBondContact O-N 3.4Å; T236-E238 PolarHBondContact O-N 3.32Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 3.49Å; T236-E239 WeakPolarHBondContact OG1-CB 3.45Å; T236-E239 VanDerWaalsContact OG1-CD 3.27Å; T236-E239 WeakPolarHBondContact OG1-CG 3.16Å; T236-E239 PolarHBondContact OG1-N 3.47Å; T236-E239 PolarHBondContact OG1-OE2 2.9Å; T236-E240 PolarHBondContact O-N 2.94Å; T236-E240 VanDerWaalsContact O-N 3.1Å |
| 237 | P | 83.3 | Confident | 75.3 | Confident | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -53.7 | -28.8 | -179.4 | 19.9 | -32.2 | 0 | 0 | 0 | 112 | E241 | P237-E241 PolarHBondContact O-N 3.33Å |
| 238 | E | 86.2 | Confident | 77.1 | Confident | 158 Ų | 158 | 128.6 Ų | 128.6 | 74% | 0.738 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -41 | 173.4 | -167.4 | 179.4 | 172.7 | 0 | 0 | 113.7 | T236 K242 | T236-E238 PolarHBondContact O-N 3.32Å; E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact O-N 3.16Å |
| 239 | E | 88 | Confident | 79.1 | Confident | 103 Ų | 103 | 129.8 Ų | 129.8 | 48% | 0.481 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -71 | -34.9 | 176.6 | -75.9 | 171.7 | 149.3 | 0 | 0 | 112.7 | L235 T236 K242 R243 | L235-E239 HydrophobicContact CD2-CB 3.75Å; T236-E239 PolarHBondContact N-OE2 3.41Å; T236-E239 PolarHBondContact O-N 3.49Å; T236-E239 WeakPolarHBondContact OG1-CB 3.45Å; T236-E239 VanDerWaalsContact OG1-CD 3.27Å; T236-E239 WeakPolarHBondContact OG1-CG 3.16Å; T236-E239 PolarHBondContact OG1-N 3.47Å; T236-E239 PolarHBondContact OG1-OE2 2.9Å; E239-K242 PolarHBondContact O-N 2.93Å; E239-R243 PolarHBondContact O-N 3.23Å |
| 240 | E | 89 | Confident | 81.2 | Confident | 124 Ų | 124 | 126.3 Ų | 126.3 | 58% | 0.579 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.2 | -43.6 | 174.7 | -176.5 | 167.5 | -152.5 | 0 | 0 | 111.6 | T236 K242 R243 R244 | T236-E240 PolarHBondContact O-N 2.94Å; T236-E240 VanDerWaalsContact O-N 3.1Å; E240-K242 PolarHBondContact O-N 3.47Å; E240-R243 WeakPolarHBondContact O-CB 3.3Å; E240-R243 PolarHBondContact O-N 2.94Å; E240-R243 VanDerWaalsContact O-N 3.14Å; E240-R244 PolarHBondContact O-N 3.25Å |
| 241 | E | 91.1 | Very high | 83.5 | Confident | 138 Ų | 138 | 124.8 Ų | 124.8 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61 | -44.8 | 176 | -175.1 | 172 | -164.5 | 0 | 0 | 111.7 | P237 R243 R244 L245 | P237-E241 PolarHBondContact O-N 3.33Å; E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 2.93Å; E241-R244 WeakPolarHBondContact O-CB 3.4Å; E241-R244 PolarHBondContact O-N 3.32Å; E241-R244 VanDerWaalsContact O-N 3.14Å; E241-L245 WeakPolarHBondContact O-CB 3.3Å; E241-L245 PolarHBondContact O-N 3.47Å |
| 242 | K | 93 | Very high | 85.7 | Confident | 126 Ų | 126 | 124.4 Ų | 124.4 | 55% | 0.548 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.7 | -38.7 | 174.5 | -174.7 | 175.8 | -176.5 | 173.6 | 0 | 112.1 | E238 E239 E240 R246 | E238-K242 PolarHBondContact O-N 2.92Å; E238-K242 VanDerWaalsContact O-N 3.16Å; E239-K242 PolarHBondContact O-N 2.93Å; E240-K242 PolarHBondContact O-N 3.47Å; K242-R246 WeakPolarHBondContact O-CG 3.35Å; K242-R246 PolarHBondContact O-N 2.92Å; K242-R246 VanDerWaalsContact O-N 3.1Å |
| 243 | R | 91 | Very high | 88 | Confident | 79 Ų | 79 | 121.7 Ų | 121.7 | 30% | 0.298 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69 | -41.5 | 175.5 | -178.2 | 173.5 | -77.2 | 131.1 | -8.3 | 111.7 | E231 E239 E240 E241 R246 R247 | E231-R243 IonicContact OE1-NH2 3.26Å; E231-R243 IonicContact OE2-CZ 3.98Å; E231-R243 IonicContact OE2-NH1 2.67Å; E231-R243 PolarHBondContact OE2-NH1 2.89Å; E231-R243 IonicContact OE2-NH2 3.45Å; E231-R243 PolarHBondContact OE2-NH2 3.46Å; E239-R243 PolarHBondContact O-N 3.23Å; E240-R243 WeakPolarHBondContact O-CB 3.3Å; E240-R243 PolarHBondContact O-N 2.94Å; E240-R243 VanDerWaalsContact O-N 3.14Å; E241-R243 VanDerWaalsContact C-N 3.27Å; E241-R243 PolarHBondContact O-N 2.93Å; R243-R246 PolarHBondContact O-N 3.18Å; R243-R247 WeakPolarHBondContact O-CG 3.31Å; R243-R247 PolarHBondContact O-N 3.49Å |
| 244 | R | 92.2 | Very high | 90.2 | Very high | 194 Ų | 194 | 115.3 Ų | 115.3 | 73% | 0.732 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 174.2 | -175.3 | -177.3 | 177 | -168.3 | -0.7 | 110.9 | E240 E241 R246 R247 L248 | E240-R244 PolarHBondContact O-N 3.25Å; E241-R244 WeakPolarHBondContact O-CB 3.4Å; E241-R244 PolarHBondContact O-N 3.32Å; E241-R244 VanDerWaalsContact O-N 3.14Å; R244-R246 VanDerWaalsContact C-N 3.35Å; R244-R246 PolarHBondContact O-N 2.8Å; R244-R247 PolarHBondContact O-N 2.96Å; R244-R247 VanDerWaalsContact O-N 3.16Å; R244-L248 WeakPolarHBondContact O-CB 3.37Å; R244-L248 PolarHBondContact O-N 3.36Å |
| 245 | L | 95.3 | Very high | 92.1 | Very high | 77 Ų | 77 | 107.2 Ų | 107.2 | 40% | 0.403 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 179.8 | -168 | 63.1 | 0 | 0 | 0 | 112.4 | E241 R249 | E241-L245 WeakPolarHBondContact O-CB 3.3Å; E241-L245 PolarHBondContact O-N 3.47Å; L245-R249 WeakPolarHBondContact O-CG 3.48Å; L245-R249 PolarHBondContact O-N 3.48Å |
| 246 | R | 95.4 | Very high | 93.5 | Very high | 162 Ų | 162 | 109.7 Ų | 109.7 | 61% | 0.611 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -43.5 | 171.7 | -75.3 | 175.1 | 179.2 | -170.4 | -0.9 | 112.2 | K242 R243 R244 N250 | K242-R246 WeakPolarHBondContact O-CG 3.35Å; K242-R246 PolarHBondContact O-N 2.92Å; K242-R246 VanDerWaalsContact O-N 3.1Å; R243-R246 PolarHBondContact O-N 3.18Å; R244-R246 VanDerWaalsContact C-N 3.35Å; R244-R246 PolarHBondContact O-N 2.8Å; R246-N250 WeakPolarHBondContact O-CB 3.48Å; R246-N250 PolarHBondContact O-N 3.02Å |
| 247 | R | 95.8 | Very high | 94.4 | Very high | 177 Ų | 177 | 110 Ų | 110 | 67% | 0.668 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -43.3 | 176.7 | -70.8 | 178.2 | -179.3 | -177.3 | 2.5 | 111.5 | R243 R244 N250 K251 | R243-R247 WeakPolarHBondContact O-CG 3.31Å; R243-R247 PolarHBondContact O-N 3.49Å; R244-R247 PolarHBondContact O-N 2.96Å; R244-R247 VanDerWaalsContact O-N 3.16Å; R247-N250 PolarHBondContact O-N 3.4Å; R247-K251 PolarHBondContact O-N 3.29Å |
| 248 | L | 97.3 | Very high | 95.1 | Very high | 108 Ų | 108 | 110.2 Ų | 110.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 177.9 | -170.6 | 68 | 0 | 0 | 0 | 111.4 | R244 N250 K251 E252 | R244-L248 WeakPolarHBondContact O-CB 3.37Å; R244-L248 PolarHBondContact O-N 3.36Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 2.92Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.32Å; L248-E252 PolarHBondContact O-N 2.9Å |
| 249 | R | 97.8 | Very high | 95.7 | Very high | 142 Ų | 142 | 109.6 Ų | 109.6 | 54% | 0.536 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -38.5 | 174.2 | -71.7 | -177.5 | -172.2 | 119.7 | -3.3 | 112.8 | L245 A253 | L245-R249 WeakPolarHBondContact O-CG 3.48Å; L245-R249 PolarHBondContact O-N 3.48Å; R249-A253 VanDerWaalsContact O-CB 3.24Å; R249-A253 WeakPolarHBondContact O-CB 3.4Å; R249-A253 PolarHBondContact O-N 2.96Å |
| 250 | N | 98.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 112.5 Ų | 112.5 | 60% | 0.604 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.6 | -36.5 | 176.9 | -175.8 | -102.7 | 0 | 0 | 0 | 112.2 | R246 R247 L248 A253 A254 | R246-N250 WeakPolarHBondContact O-CB 3.48Å; R246-N250 PolarHBondContact O-N 3.02Å; R247-N250 PolarHBondContact O-N 3.4Å; L248-N250 VanDerWaalsContact C-N 3.33Å; L248-N250 PolarHBondContact O-N 2.92Å; N250-A253 PolarHBondContact O-N 3.44Å; N250-A254 VanDerWaalsContact O-CB 3.29Å; N250-A254 WeakPolarHBondContact O-CB 3.32Å; N250-A254 PolarHBondContact O-N 2.96Å |
| 251 | K | 98.1 | Very high | 96.6 | Very high | 130 Ų | 130 | 115.4 Ų | 115.4 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.6 | -52.7 | 172.6 | -174.5 | -175.5 | 174.4 | -167.7 | 0 | 110 | R247 L248 A253 A254 A255 D424 | R247-K251 PolarHBondContact O-N 3.29Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.32Å; K251-A253 PolarHBondContact O-N 2.86Å; K251-A254 PolarHBondContact O-N 3.21Å; K251-A255 PolarHBondContact O-N 3.44Å; K251-D424 IonicContact NZ-OD1 2.72Å |
| 252 | E | 98 | Very high | 96.9 | Very high | 96 Ų | 96 | 113.9 Ų | 113.9 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.6 | -167.4 | -159.5 | 178.3 | 0 | 0 | 112.2 | L248 A254 A255 R256 | L248-E252 PolarHBondContact O-N 2.9Å; E252-A254 PolarHBondContact O-N 3.32Å; E252-A255 PolarHBondContact O-N 3.45Å; E252-R256 VanDerWaalsContact CD-CZ 3.43Å; E252-R256 WeakPolarHBondContact O-CG 3.31Å; E252-R256 PolarHBondContact O-N 3.39Å; E252-R256 IonicContact OE1-CZ 3.59Å; E252-R256 IonicContact OE1-NH1 3.55Å; E252-R256 PolarHBondContact OE1-NH1 2.95Å; E252-R256 IonicContact OE1-NH2 2.9Å; E252-R256 PolarHBondContact OE1-NH2 2.61Å; E252-R256 IonicContact OE2-CZ 3.47Å; E252-R256 IonicContact OE2-NH1 3.46Å; E252-R256 IonicContact OE2-NH2 3.33Å; E252-R256 PolarHBondContact OE2-NH2 3.3Å |
| 253 | A | 98.4 | Very high | 97.2 | Very high | 41 Ų | 41 | 112.6 Ų | 112.6 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R249 N250 K251 C257 | R249-A253 VanDerWaalsContact O-CB 3.24Å; R249-A253 WeakPolarHBondContact O-CB 3.4Å; R249-A253 PolarHBondContact O-N 2.96Å; N250-A253 PolarHBondContact O-N 3.44Å; K251-A253 PolarHBondContact O-N 2.86Å; A253-C257 VanDerWaalsContact O-CB 3.31Å; A253-C257 WeakPolarHBondContact O-CB 2.78Å; A253-C257 PolarHBondContact O-N 3.02Å |
| 254 | A | 98.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 113.7 Ų | 113.7 | 28% | 0.281 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | N250 K251 E252 C257 R258 | N250-A254 VanDerWaalsContact O-CB 3.29Å; N250-A254 WeakPolarHBondContact O-CB 3.32Å; N250-A254 PolarHBondContact O-N 2.96Å; K251-A254 PolarHBondContact O-N 3.21Å; E252-A254 PolarHBondContact O-N 3.32Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.74Å; A254-R258 WeakPolarHBondContact O-CG 3.42Å; A254-R258 PolarHBondContact O-N 3.42Å |
| 255 | A | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 108.2 Ų | 108.2 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K251 E252 C257 R258 R259 D424 | K251-A255 PolarHBondContact O-N 3.44Å; E252-A255 PolarHBondContact O-N 3.45Å; A255-C257 VanDerWaalsContact C-N 3.29Å; A255-C257 PolarHBondContact O-N 2.9Å; A255-R258 PolarHBondContact O-N 2.98Å; A255-R259 WeakPolarHBondContact O-CB 3.39Å; A255-R259 PolarHBondContact O-N 3.31Å; A255-D424 WeakPolarHBondContact CB-OD2 3.16Å |
| 256 | R | 98.5 | Very high | 97.9 | Very high | 100 Ų | 100 | 106.6 Ų | 106.6 | 38% | 0.377 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -36.3 | 173.8 | -75.5 | -170.3 | -71.5 | -119.8 | -13 | 113.4 | E252 R260 | E252-R256 VanDerWaalsContact CD-CZ 3.43Å; E252-R256 WeakPolarHBondContact O-CG 3.31Å; E252-R256 PolarHBondContact O-N 3.39Å; E252-R256 IonicContact OE1-CZ 3.59Å; E252-R256 IonicContact OE1-NH1 3.55Å; E252-R256 PolarHBondContact OE1-NH1 2.95Å; E252-R256 IonicContact OE1-NH2 2.9Å; E252-R256 PolarHBondContact OE1-NH2 2.61Å; E252-R256 IonicContact OE2-CZ 3.47Å; E252-R256 IonicContact OE2-NH1 3.46Å; E252-R256 IonicContact OE2-NH2 3.33Å; E252-R256 PolarHBondContact OE2-NH2 3.3Å; R256-R260 WeakPolarHBondContact O-CB 3.23Å; R256-R260 WeakPolarHBondContact O-CG 3.31Å; R256-R260 PolarHBondContact O-N 2.95Å |
| 257 | C | 98.6 | Very high | 98.1 | Very high | 74 Ų | 74 | 106.7 Ų | 106.7 | 50% | 0.5 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -46 | 176.7 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | A253 A254 A255 R261 | A253-C257 VanDerWaalsContact O-CB 3.31Å; A253-C257 WeakPolarHBondContact O-CB 2.78Å; A253-C257 PolarHBondContact O-N 3.02Å; A254-C257 WeakPolarHBondContact O-CB 3.34Å; A254-C257 PolarHBondContact O-N 2.74Å; A255-C257 VanDerWaalsContact C-N 3.29Å; A255-C257 PolarHBondContact O-N 2.9Å; C257-R261 PolarHBondContact O-N 3.39Å; C257-R261 VanDerWaalsContact O-N 3.07Å |
| 258 | R | 98.4 | Very high | 98.2 | Very high | 117 Ų | 117 | 102.2 Ų | 102.2 | 44% | 0.442 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 175.5 | -70 | 170.7 | -177.9 | 169.1 | -2.4 | 111.5 | A254 A255 R261 L262 M422 | A254-R258 WeakPolarHBondContact O-CG 3.42Å; A254-R258 PolarHBondContact O-N 3.42Å; A255-R258 PolarHBondContact O-N 2.98Å; R258-R261 WeakPolarHBondContact O-CB 3.49Å; R258-R261 PolarHBondContact O-N 3.11Å; R258-R261 VanDerWaalsContact O-N 3.17Å; R258-L262 WeakPolarHBondContact O-CG 3.48Å; R258-L262 PolarHBondContact O-N 3.05Å; R258-M422 PolarHBondContact NH1-SD 3.31Å |
| 259 | R | 98.2 | Very high | 98.2 | Very high | 146 Ų | 146 | 101.9 Ų | 101.9 | 55% | 0.551 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -58.3 | -50.4 | 176.6 | -168.6 | 178.1 | 69.1 | -160.2 | -0.6 | 111.8 | A255 R261 L262 E263 | A255-R259 WeakPolarHBondContact O-CB 3.39Å; A255-R259 PolarHBondContact O-N 3.31Å; R259-R261 VanDerWaalsContact C-N 3.26Å; R259-R261 PolarHBondContact O-N 3.16Å; R259-L262 PolarHBondContact O-N 3.31Å; R259-L262 VanDerWaalsContact O-N 3.11Å; R259-E263 HydrophobicContact CG-CG 4.4Å; R259-E263 WeakPolarHBondContact CG-OE1 3.48Å; R259-E263 IonicContact NE-OE1 3.71Å; R259-E263 PolarHBondContact NE-OE1 3.29Å; R259-E263 WeakPolarHBondContact O-CG 3.45Å; R259-E263 PolarHBondContact O-N 3.08Å |
| 260 | R | 98.5 | Very high | 98.2 | Very high | 163 Ų | 163 | 99.1 Ų | 99.1 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.6 | -38.3 | 175.7 | -77.9 | -172.9 | -70.4 | 178.4 | -1.8 | 112.8 | R256 H264 | R256-R260 WeakPolarHBondContact O-CB 3.23Å; R256-R260 WeakPolarHBondContact O-CG 3.31Å; R256-R260 PolarHBondContact O-N 2.95Å; R260-H264 WeakPolarHBondContact O-CB 3.35Å; R260-H264 PolarHBondContact O-N 3.08Å |
| 261 | R | 98.1 | Very high | 98.3 | Very high | 185 Ų | 185 | 98.6 Ų | 98.6 | 70% | 0.698 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 176.3 | -174.4 | 177.7 | -178.2 | 168.9 | 1.6 | 111.7 | C257 R258 R259 H264 M265 | C257-R261 PolarHBondContact O-N 3.39Å; C257-R261 VanDerWaalsContact O-N 3.07Å; R258-R261 WeakPolarHBondContact O-CB 3.49Å; R258-R261 PolarHBondContact O-N 3.11Å; R258-R261 VanDerWaalsContact O-N 3.17Å; R259-R261 VanDerWaalsContact C-N 3.26Å; R259-R261 PolarHBondContact O-N 3.16Å; R261-H264 PolarHBondContact O-N 2.95Å; R261-M265 WeakPolarHBondContact O-CG 3.33Å; R261-M265 PolarHBondContact O-N 3.34Å |
| 262 | L | 98.3 | Very high | 98.3 | Very high | 107 Ų | 107 | 96.4 Ų | 96.4 | 56% | 0.56 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -65.2 | -47.2 | 176.7 | -69.5 | 170.8 | 0 | 0 | 0 | 111.5 | R258 R259 H264 M265 C266 | R258-L262 WeakPolarHBondContact O-CG 3.48Å; R258-L262 PolarHBondContact O-N 3.05Å; R259-L262 PolarHBondContact O-N 3.31Å; R259-L262 VanDerWaalsContact O-N 3.11Å; L262-H264 VanDerWaalsContact C-N 3.26Å; L262-H264 PolarHBondContact O-N 3.35Å; L262-M265 PolarHBondContact O-N 2.97Å; L262-M265 VanDerWaalsContact O-N 3.13Å; L262-C266 PolarHBondContact O-N 3.44Å; L262-C266 PolarHBondContact O-SG 3.46Å |
| 263 | E | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 97.9 Ų | 97.9 | 46% | 0.458 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -55.7 | -41.8 | 174.6 | -72.5 | 167.9 | -171.3 | 0 | 0 | 111.8 | R259 R267 | R259-E263 HydrophobicContact CG-CG 4.4Å; R259-E263 WeakPolarHBondContact CG-OE1 3.48Å; R259-E263 IonicContact NE-OE1 3.71Å; R259-E263 PolarHBondContact NE-OE1 3.29Å; R259-E263 WeakPolarHBondContact O-CG 3.45Å; R259-E263 PolarHBondContact O-N 3.08Å; E263-R267 WeakPolarHBondContact O-CB 3.32Å; E263-R267 PolarHBondContact O-N 2.89Å |
| 264 | H | 98.1 | Very high | 98.3 | Very high | 103 Ų | 103 | 100.7 Ų | 100.7 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | 176.2 | -177.4 | 51.7 | 0 | 0 | 0 | 112.2 | R260 R261 L262 R267 L268 | R260-H264 WeakPolarHBondContact O-CB 3.35Å; R260-H264 PolarHBondContact O-N 3.08Å; R261-H264 PolarHBondContact O-N 2.95Å; L262-H264 VanDerWaalsContact C-N 3.26Å; L262-H264 PolarHBondContact O-N 3.35Å; H264-R267 PolarHBondContact O-N 2.98Å; H264-L268 WeakPolarHBondContact O-CG 3.43Å; H264-L268 PolarHBondContact O-N 3.1Å; H264-L268 VanDerWaalsContact O-N 3.1Å |
| 265 | M | 97.5 | Very high | 98.3 | Very high | 79 Ų | 79 | 103.6 Ų | 103.6 | 39% | 0.389 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61 | -48.7 | 175.6 | -74 | -178.8 | 58.7 | 0 | 0 | 111.6 | R261 L262 R267 L268 E269 | R261-M265 WeakPolarHBondContact O-CG 3.33Å; R261-M265 PolarHBondContact O-N 3.34Å; L262-M265 PolarHBondContact O-N 2.97Å; L262-M265 VanDerWaalsContact O-N 3.13Å; M265-R267 VanDerWaalsContact C-N 3.29Å; M265-R267 PolarHBondContact O-N 3.12Å; M265-L268 PolarHBondContact O-N 3.3Å; M265-L268 VanDerWaalsContact O-N 3.12Å; M265-E269 WeakPolarHBondContact O-CG 3.29Å; M265-E269 PolarHBondContact O-N 2.95Å |
| 266 | C | 98 | Very high | 98.3 | Very high | 43 Ų | 43 | 106.6 Ų | 106.6 | 29% | 0.291 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -36 | 177.9 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | L262 E269 N270 | L262-C266 PolarHBondContact O-N 3.44Å; L262-C266 PolarHBondContact O-SG 3.46Å; C266-E269 PolarHBondContact O-N 3.43Å; C266-N270 WeakPolarHBondContact O-CB 3.47Å; C266-N270 PolarHBondContact O-N 3.24Å; C266-N270 PolarHBondContact O-ND2 3.1Å |
| 267 | R | 98.3 | Very high | 98.3 | Very high | 164 Ų | 164 | 104.6 Ų | 104.6 | 62% | 0.619 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 173.7 | -176.8 | -177.1 | -65.4 | 146.5 | 2.6 | 111.5 | E263 H264 M265 E269 N270 E271 | E263-R267 WeakPolarHBondContact O-CB 3.32Å; E263-R267 PolarHBondContact O-N 2.89Å; H264-R267 PolarHBondContact O-N 2.98Å; M265-R267 VanDerWaalsContact C-N 3.29Å; M265-R267 PolarHBondContact O-N 3.12Å; R267-E269 VanDerWaalsContact C-N 3.35Å; R267-N270 PolarHBondContact O-N 3.39Å; R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 PolarHBondContact O-N 3.24Å |
| 268 | L | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 106.1 Ų | 106.1 | 43% | 0.429 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 178.3 | -68.1 | 174.1 | 0 | 0 | 0 | 111.7 | H264 M265 E271 V272 | H264-L268 WeakPolarHBondContact O-CG 3.43Å; H264-L268 PolarHBondContact O-N 3.1Å; H264-L268 VanDerWaalsContact O-N 3.1Å; M265-L268 PolarHBondContact O-N 3.3Å; M265-L268 VanDerWaalsContact O-N 3.12Å; L268-E271 PolarHBondContact O-N 3.16Å; L268-V272 VanDerWaalsContact O-CG2 3.31Å; L268-V272 WeakPolarHBondContact O-CG2 3.2Å; L268-V272 PolarHBondContact O-N 2.87Å |
| 269 | E | 98.3 | Very high | 98.3 | Very high | 101 Ų | 101 | 106.9 Ų | 106.9 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.3 | -48.1 | 175.4 | -72.7 | 169.4 | 169.8 | 0 | 0 | 111.2 | M265 C266 R267 E271 V272 E273 | M265-E269 WeakPolarHBondContact O-CG 3.29Å; M265-E269 PolarHBondContact O-N 2.95Å; C266-E269 PolarHBondContact O-N 3.43Å; R267-E269 VanDerWaalsContact C-N 3.35Å; E269-E271 PolarHBondContact O-N 3.06Å; E269-V272 PolarHBondContact O-N 3.46Å; E269-E273 WeakPolarHBondContact O-CG 3.43Å; E269-E273 PolarHBondContact O-N 3.47Å |
| 270 | N | 98.2 | Very high | 98.3 | Very high | 84 Ų | 84 | 103.2 Ų | 103.2 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 176 | -66.7 | -18.8 | 0 | 0 | 0 | 112.1 | C266 R267 V272 E273 D274 | C266-N270 WeakPolarHBondContact O-CB 3.47Å; C266-N270 PolarHBondContact O-N 3.24Å; C266-N270 PolarHBondContact O-ND2 3.1Å; R267-N270 PolarHBondContact O-N 3.39Å; N270-V272 VanDerWaalsContact C-N 3.31Å; N270-V272 PolarHBondContact O-N 3.1Å; N270-E273 PolarHBondContact O-N 3.41Å; N270-D274 WeakPolarHBondContact O-CB 3.46Å; N270-D274 VanDerWaalsContact O-CG 3.28Å; N270-D274 PolarHBondContact O-N 3.01Å |
| 271 | E | 98.3 | Very high | 98.2 | Very high | 102 Ų | 102 | 101.5 Ų | 101.5 | 48% | 0.477 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -40 | 176.9 | -175.8 | 175.6 | 178.2 | 0 | 0 | 111.5 | R267 L268 E269 L275 | R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 PolarHBondContact O-N 3.24Å; L268-E271 PolarHBondContact O-N 3.16Å; E269-E271 PolarHBondContact O-N 3.06Å; E271-L275 HydrophobicContact CG-CD1 4.17Å; E271-L275 WeakPolarHBondContact O-CB 3.33Å; E271-L275 WeakPolarHBondContact O-CG 3.45Å; E271-L275 PolarHBondContact O-N 3.01Å |
| 272 | V | 98.5 | Very high | 98.3 | Very high | 84 Ų | 84 | 97.3 Ų | 97.3 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | L268 E269 N270 L275 L276 | L268-V272 VanDerWaalsContact O-CG2 3.31Å; L268-V272 WeakPolarHBondContact O-CG2 3.2Å; L268-V272 PolarHBondContact O-N 2.87Å; E269-V272 PolarHBondContact O-N 3.46Å; N270-V272 VanDerWaalsContact C-N 3.31Å; N270-V272 PolarHBondContact O-N 3.1Å; V272-L275 PolarHBondContact O-N 3.28Å; V272-L276 HydrophobicContact CG1-CD1 3.99Å; V272-L276 HydrophobicContact CG1-CG 4.39Å; V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 VanDerWaalsContact O-CG 3.24Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 3.22Å |
| 273 | E | 98.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 96.2 Ų | 96.2 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.9 | -45.9 | 176.5 | -71.9 | -178.2 | -178.2 | 0 | 0 | 112 | E269 N270 L276 A277 | E269-E273 WeakPolarHBondContact O-CG 3.43Å; E269-E273 PolarHBondContact O-N 3.47Å; N270-E273 PolarHBondContact O-N 3.41Å; E273-L276 PolarHBondContact O-N 2.84Å; E273-A277 PolarHBondContact O-N 2.82Å |
| 274 | D | 98.5 | Very high | 98.2 | Very high | 100 Ų | 100 | 98.2 Ų | 98.2 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 178.4 | -71.9 | -23 | 0 | 0 | 0 | 111.7 | N270 A277 Q278 | N270-D274 WeakPolarHBondContact O-CB 3.46Å; N270-D274 VanDerWaalsContact O-CG 3.28Å; N270-D274 PolarHBondContact O-N 3.01Å; D274-A277 PolarHBondContact O-N 3.11Å; D274-Q278 WeakPolarHBondContact O-CG 3.29Å; D274-Q278 PolarHBondContact O-N 2.93Å; D274-Q278 PolarHBondContact O-NE2 2.99Å |
| 275 | L | 98.5 | Very high | 98.3 | Very high | 96 Ų | 96 | 98.3 Ų | 98.3 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.6 | -38.1 | 176.8 | -73.8 | 171.9 | 0 | 0 | 0 | 112.2 | E271 V272 Q278 R279 | E271-L275 HydrophobicContact CG-CD1 4.17Å; E271-L275 WeakPolarHBondContact O-CB 3.33Å; E271-L275 WeakPolarHBondContact O-CG 3.45Å; E271-L275 PolarHBondContact O-N 3.01Å; V272-L275 PolarHBondContact O-N 3.28Å; L275-Q278 PolarHBondContact O-N 3.13Å; L275-R279 VanDerWaalsContact O-CB 3.29Å; L275-R279 WeakPolarHBondContact O-CB 3.35Å; L275-R279 PolarHBondContact O-N 3.3Å |
| 276 | L | 98.2 | Very high | 98.3 | Very high | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.1 | -73.6 | 173.6 | 0 | 0 | 0 | 111.4 | V272 E273 R279 D280 | V272-L276 HydrophobicContact CG1-CD1 3.99Å; V272-L276 HydrophobicContact CG1-CG 4.39Å; V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 VanDerWaalsContact O-CG 3.24Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 3.22Å; E273-L276 PolarHBondContact O-N 2.84Å; L276-R279 PolarHBondContact O-N 3.42Å; L276-D280 PolarHBondContact O-N 3.31Å |
| 277 | A | 98.1 | Very high | 98.3 | Very high | 58 Ų | 58 | 99.5 Ų | 99.5 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | E273 D274 D280 Q281 | E273-A277 PolarHBondContact O-N 2.82Å; D274-A277 PolarHBondContact O-N 3.11Å; A277-D280 PolarHBondContact O-N 2.8Å; A277-Q281 WeakPolarHBondContact O-CB 3.36Å; A277-Q281 PolarHBondContact O-N 3.16Å |
| 278 | Q | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 94.3 Ų | 94.3 | 50% | 0.495 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.9 | -73.7 | 172.6 | 51.6 | 0 | 0 | 112 | D274 L275 D280 Q281 L282 | D274-Q278 WeakPolarHBondContact O-CG 3.29Å; D274-Q278 PolarHBondContact O-N 2.93Å; D274-Q278 PolarHBondContact O-NE2 2.99Å; L275-Q278 PolarHBondContact O-N 3.13Å; Q278-D280 VanDerWaalsContact C-N 3.35Å; Q278-Q281 PolarHBondContact O-N 2.95Å; Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 VanDerWaalsContact O-CG 3.32Å; Q278-L282 WeakPolarHBondContact O-CG 3.48Å; Q278-L282 PolarHBondContact O-N 3.43Å |
| 279 | R | 98.3 | Very high | 98.3 | Very high | 133 Ų | 133 | 94.9 Ų | 94.9 | 50% | 0.502 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 176.1 | -177.1 | -84.4 | -59.2 | -175.1 | 10.5 | 111.2 | L275 L276 L282 Q283 | L275-R279 VanDerWaalsContact O-CB 3.29Å; L275-R279 WeakPolarHBondContact O-CB 3.35Å; L275-R279 PolarHBondContact O-N 3.3Å; L276-R279 PolarHBondContact O-N 3.42Å; R279-L282 PolarHBondContact O-N 3.19Å; R279-Q283 WeakPolarHBondContact O-CB 3.39Å; R279-Q283 PolarHBondContact O-N 2.9Å |
| 280 | D | 98.3 | Very high | 98.3 | Very high | 69 Ų | 69 | 95.3 Ų | 95.3 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 178.2 | -71.9 | -25.3 | 0 | 0 | 0 | 111.1 | L276 A277 Q278 L282 Q283 E284 | L276-D280 PolarHBondContact O-N 3.31Å; A277-D280 PolarHBondContact O-N 2.8Å; Q278-D280 VanDerWaalsContact C-N 3.35Å; D280-L282 PolarHBondContact O-N 3.38Å; D280-Q283 PolarHBondContact O-N 3.46Å; D280-E284 WeakPolarHBondContact O-CG 3.21Å; D280-E284 PolarHBondContact O-N 3.41Å |
| 281 | Q | 98.4 | Very high | 98.3 | Very high | 127 Ų | 127 | 96.8 Ų | 96.8 | 59% | 0.593 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 175 | -177.8 | -176.9 | -4.9 | 0 | 0 | 112.4 | A277 Q278 Q283 E284 E285 | A277-Q281 WeakPolarHBondContact O-CB 3.36Å; A277-Q281 PolarHBondContact O-N 3.16Å; Q278-Q281 PolarHBondContact O-N 2.95Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.67Å; Q281-E284 PolarHBondContact O-N 3.49Å; Q281-E285 PolarHBondContact O-N 3.23Å |
| 282 | L | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 97.2 Ų | 97.2 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -35.8 | 178 | -72.5 | 172.4 | 0 | 0 | 0 | 111.6 | Q278 R279 D280 E285 I286 | Q278-L282 WeakPolarHBondContact O-CB 3.47Å; Q278-L282 VanDerWaalsContact O-CG 3.32Å; Q278-L282 WeakPolarHBondContact O-CG 3.48Å; Q278-L282 PolarHBondContact O-N 3.43Å; R279-L282 PolarHBondContact O-N 3.19Å; D280-L282 PolarHBondContact O-N 3.38Å; L282-E285 PolarHBondContact O-N 3.19Å; L282-I286 WeakPolarHBondContact O-CB 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.44Å; L282-I286 PolarHBondContact O-N 3.42Å |
| 283 | Q | 98.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 97.9 Ų | 97.9 | 39% | 0.388 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.7 | -171.6 | 62.8 | 55.8 | 0 | 0 | 111.6 | R279 D280 Q281 E285 I286 D287 | R279-Q283 WeakPolarHBondContact O-CB 3.39Å; R279-Q283 PolarHBondContact O-N 2.9Å; D280-Q283 PolarHBondContact O-N 3.46Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.67Å; Q283-E285 VanDerWaalsContact C-N 3.33Å; Q283-E285 PolarHBondContact O-N 2.9Å; Q283-I286 PolarHBondContact O-N 3.17Å; Q283-D287 PolarHBondContact NE2-OD1 3.22Å; Q283-D287 WeakPolarHBondContact O-CB 3.35Å; Q283-D287 PolarHBondContact O-N 3.02Å |
| 284 | E | 98.3 | Very high | 98.2 | Very high | 140 Ų | 140 | 95.3 Ų | 95.3 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -41.3 | 174.1 | -72.9 | 177.1 | -177.3 | 0 | 0 | 111.8 | D280 Q281 D287 A288 | D280-E284 WeakPolarHBondContact O-CG 3.21Å; D280-E284 PolarHBondContact O-N 3.41Å; Q281-E284 PolarHBondContact O-N 3.49Å; E284-D287 PolarHBondContact O-N 2.93Å; E284-A288 WeakPolarHBondContact O-CB 3.44Å; E284-A288 PolarHBondContact O-N 3.29Å |
| 285 | E | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 175.4 | -175.1 | 175.1 | -177.9 | 0 | 0 | 111.8 | Q281 L282 Q283 D287 A288 L289 | Q281-E285 PolarHBondContact O-N 3.23Å; L282-E285 PolarHBondContact O-N 3.19Å; Q283-E285 VanDerWaalsContact C-N 3.33Å; Q283-E285 PolarHBondContact O-N 2.9Å; E285-D287 VanDerWaalsContact C-N 3.34Å; E285-D287 PolarHBondContact O-N 3Å; E285-A288 PolarHBondContact O-N 2.84Å; E285-L289 HydrophobicContact CG-CD1 4.13Å; E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.45Å; E285-L289 PolarHBondContact O-N 3.19Å |
| 286 | I | 98.3 | Very high | 98.1 | Very high | 73 Ų | 73 | 97.1 Ų | 97.1 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 174.2 | -73.8 | 167.6 | 0 | 0 | 0 | 110.3 | L282 Q283 A288 L289 H290 | L282-I286 WeakPolarHBondContact O-CB 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.44Å; L282-I286 PolarHBondContact O-N 3.42Å; Q283-I286 PolarHBondContact O-N 3.17Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 3.07Å; I286-L289 PolarHBondContact O-N 2.92Å; I286-H290 VanDerWaalsContact CG2-CE1 3.47Å; I286-H290 WeakPolarHBondContact CG2-CE1 3.36Å; I286-H290 VanDerWaalsContact CG2-ND1 3.35Å; I286-H290 WeakPolarHBondContact CG2-ND1 3.31Å; I286-H290 WeakPolarHBondContact O-CB 3.45Å; I286-H290 PolarHBondContact O-N 3.25Å; I286-H290 PolarHBondContact O-ND1 3.38Å |
| 287 | D | 98.3 | Very high | 98.1 | Very high | 74 Ų | 74 | 97 Ų | 97 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | -177.9 | -68.4 | -9.6 | 0 | 0 | 0 | 111.5 | Q283 E284 E285 Q291 | Q283-D287 PolarHBondContact NE2-OD1 3.22Å; Q283-D287 WeakPolarHBondContact O-CB 3.35Å; Q283-D287 PolarHBondContact O-N 3.02Å; E284-D287 PolarHBondContact O-N 2.93Å; E285-D287 VanDerWaalsContact C-N 3.34Å; E285-D287 PolarHBondContact O-N 3Å; D287-Q291 VanDerWaalsContact O-CG 3.29Å; D287-Q291 WeakPolarHBondContact O-CG 3.42Å; D287-Q291 PolarHBondContact O-N 3.39Å; D287-Q291 PolarHBondContact O-NE2 3.04Å |
| 288 | A | 98.2 | Very high | 98 | Very high | 55 Ų | 55 | 97.8 Ų | 97.8 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E284 E285 I286 H290 Q291 E292 | E284-A288 WeakPolarHBondContact O-CB 3.44Å; E284-A288 PolarHBondContact O-N 3.29Å; E285-A288 PolarHBondContact O-N 2.84Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 3.07Å; A288-H290 VanDerWaalsContact C-N 3.34Å; A288-H290 PolarHBondContact O-N 2.85Å; A288-Q291 WeakPolarHBondContact O-CB 3.5Å; A288-Q291 PolarHBondContact O-N 3.35Å; A288-E292 PolarHBondContact O-N 2.86Å |
| 289 | L | 98.4 | Very high | 97.9 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.5 | -36.9 | 177 | -71.6 | 172.4 | 0 | 0 | 0 | 112.1 | E285 I286 E292 K293 | E285-L289 HydrophobicContact CG-CD1 4.13Å; E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 VanDerWaalsContact O-CG 3.31Å; E285-L289 WeakPolarHBondContact O-CG 3.45Å; E285-L289 PolarHBondContact O-N 3.19Å; I286-L289 PolarHBondContact O-N 2.92Å; L289-E292 PolarHBondContact O-N 3.44Å; L289-K293 VanDerWaalsContact O-CB 3.31Å; L289-K293 WeakPolarHBondContact O-CB 3.39Å; L289-K293 PolarHBondContact O-N 3.26Å |
| 290 | H | 98 | Very high | 97.7 | Very high | 110 Ų | 110 | 94.3 Ų | 94.3 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 173.2 | -80 | 90.2 | 0 | 0 | 0 | 111.6 | I286 A288 K293 T294 | I286-H290 VanDerWaalsContact CG2-CE1 3.47Å; I286-H290 WeakPolarHBondContact CG2-CE1 3.36Å; I286-H290 VanDerWaalsContact CG2-ND1 3.35Å; I286-H290 WeakPolarHBondContact CG2-ND1 3.31Å; I286-H290 WeakPolarHBondContact O-CB 3.45Å; I286-H290 PolarHBondContact O-N 3.25Å; I286-H290 PolarHBondContact O-ND1 3.38Å; A288-H290 VanDerWaalsContact C-N 3.34Å; A288-H290 PolarHBondContact O-N 2.85Å; H290-K293 PolarHBondContact O-N 3.05Å; H290-T294 WeakPolarHBondContact O-CG2 3.38Å; H290-T294 PolarHBondContact O-N 3.1Å; H290-T294 PolarHBondContact O-OG1 3.16Å |
| 291 | Q | 98 | Very high | 97.5 | Very high | 116 Ų | 116 | 97.1 Ų | 97.1 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -50.3 | 174.6 | -75 | 167 | 51.7 | 0 | 0 | 111.1 | D287 A288 K293 T294 E295 | D287-Q291 VanDerWaalsContact O-CG 3.29Å; D287-Q291 WeakPolarHBondContact O-CG 3.42Å; D287-Q291 PolarHBondContact O-N 3.39Å; D287-Q291 PolarHBondContact O-NE2 3.04Å; A288-Q291 WeakPolarHBondContact O-CB 3.5Å; A288-Q291 PolarHBondContact O-N 3.35Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.14Å; Q291-T294 PolarHBondContact O-N 2.95Å; Q291-T294 VanDerWaalsContact O-N 3.14Å; Q291-T294 PolarHBondContact O-OG1 2.83Å; Q291-E295 WeakPolarHBondContact O-CG 3.43Å; Q291-E295 PolarHBondContact O-N 2.96Å |
| 292 | E | 98.1 | Very high | 97.2 | Very high | 110 Ų | 110 | 96.2 Ų | 96.2 | 51% | 0.514 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.1 | -43.8 | 177.7 | -175.1 | 177 | -169.3 | 0 | 0 | 111.8 | A288 L289 T294 E295 L296 | A288-E292 PolarHBondContact O-N 2.86Å; L289-E292 PolarHBondContact O-N 3.44Å; E292-T294 PolarHBondContact O-N 3.24Å; E292-E295 PolarHBondContact O-N 3Å; E292-L296 HydrophobicContact CG-CD1 4.13Å; E292-L296 WeakPolarHBondContact O-CB 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.3Å; E292-L296 WeakPolarHBondContact O-CG 3.44Å; E292-L296 PolarHBondContact O-N 3.29Å |
| 293 | K | 97.8 | Very high | 97 | Very high | 98 Ų | 98 | 96.1 Ų | 96.1 | 43% | 0.426 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -55.8 | -51.2 | 173.7 | 178.4 | -174.4 | 166.8 | -177.4 | 0 | 111 | L289 H290 Q291 E295 L296 E297 | L289-K293 VanDerWaalsContact O-CB 3.31Å; L289-K293 WeakPolarHBondContact O-CB 3.39Å; L289-K293 PolarHBondContact O-N 3.26Å; H290-K293 PolarHBondContact O-N 3.05Å; Q291-K293 VanDerWaalsContact C-N 3.34Å; Q291-K293 PolarHBondContact O-N 3.14Å; K293-E295 VanDerWaalsContact C-N 3.33Å; K293-E295 PolarHBondContact O-N 3.24Å; K293-L296 PolarHBondContact O-N 3.11Å; K293-E297 VanDerWaalsContact CE-CD 3.49Å; K293-E297 WeakPolarHBondContact CE-OE1 3.24Å; K293-E297 HydrophobicContact CG-CG 4.4Å; K293-E297 IonicContact NZ-OE1 3.61Å; K293-E297 WeakPolarHBondContact O-CB 3.08Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 2.88Å |
| 294 | T | 97.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -36.5 | -179.1 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | H290 Q291 E292 E297 V298 | H290-T294 WeakPolarHBondContact O-CG2 3.38Å; H290-T294 PolarHBondContact O-N 3.1Å; H290-T294 PolarHBondContact O-OG1 3.16Å; Q291-T294 PolarHBondContact O-N 2.95Å; Q291-T294 VanDerWaalsContact O-N 3.14Å; Q291-T294 PolarHBondContact O-OG1 2.83Å; E292-T294 PolarHBondContact O-N 3.24Å; T294-E297 PolarHBondContact O-N 2.87Å; T294-V298 WeakPolarHBondContact O-CB 3.29Å; T294-V298 VanDerWaalsContact O-CG2 3.23Å; T294-V298 WeakPolarHBondContact O-CG2 3.38Å; T294-V298 PolarHBondContact O-N 3.16Å |
| 295 | E | 97.6 | Very high | 96.2 | Very high | 134 Ų | 134 | 95.7 Ų | 95.7 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 175.2 | -73.7 | -179.4 | -175.4 | 0 | 0 | 111.6 | Q291 E292 K293 A299 | Q291-E295 WeakPolarHBondContact O-CG 3.43Å; Q291-E295 PolarHBondContact O-N 2.96Å; E292-E295 PolarHBondContact O-N 3Å; K293-E295 VanDerWaalsContact C-N 3.33Å; K293-E295 PolarHBondContact O-N 3.24Å; E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.05Å |
| 296 | L | 97.5 | Very high | 95.7 | Very high | 100 Ų | 100 | 100.3 Ų | 100.3 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 176.8 | -69.7 | 173.6 | 0 | 0 | 0 | 112.1 | E292 K293 A299 L300 | E292-L296 HydrophobicContact CG-CD1 4.13Å; E292-L296 WeakPolarHBondContact O-CB 3.48Å; E292-L296 VanDerWaalsContact O-CG 3.3Å; E292-L296 WeakPolarHBondContact O-CG 3.44Å; E292-L296 PolarHBondContact O-N 3.29Å; K293-L296 PolarHBondContact O-N 3.11Å; L296-A299 PolarHBondContact O-N 3.16Å; L296-L300 WeakPolarHBondContact O-CB 3.43Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.31Å; L296-L300 PolarHBondContact O-N 3.48Å |
| 297 | E | 96.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 98.4 Ų | 98.4 | 38% | 0.379 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | 174.5 | -75.4 | 174.7 | 159.1 | 0 | 0 | 110.8 | K293 T294 A299 L300 E301 | K293-E297 VanDerWaalsContact CE-CD 3.49Å; K293-E297 WeakPolarHBondContact CE-OE1 3.24Å; K293-E297 HydrophobicContact CG-CG 4.4Å; K293-E297 IonicContact NZ-OE1 3.61Å; K293-E297 WeakPolarHBondContact O-CB 3.08Å; K293-E297 WeakPolarHBondContact O-CG 3.4Å; K293-E297 PolarHBondContact O-N 2.88Å; T294-E297 PolarHBondContact O-N 2.87Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.22Å; E297-L300 PolarHBondContact O-N 3.03Å; E297-E301 WeakPolarHBondContact O-CB 3.35Å; E297-E301 WeakPolarHBondContact O-CG 3.35Å; E297-E301 PolarHBondContact O-N 3.42Å |
| 298 | V | 96.6 | Very high | 94.5 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 45% | 0.448 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 176 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | T294 L300 E301 N302 | T294-V298 WeakPolarHBondContact O-CB 3.29Å; T294-V298 VanDerWaalsContact O-CG2 3.23Å; T294-V298 WeakPolarHBondContact O-CG2 3.38Å; T294-V298 PolarHBondContact O-N 3.16Å; V298-L300 VanDerWaalsContact C-N 3.35Å; V298-E301 PolarHBondContact O-N 3.33Å; V298-N302 WeakPolarHBondContact CG1-ND2 3.46Å; V298-N302 WeakPolarHBondContact O-CB 3.49Å; V298-N302 VanDerWaalsContact O-CG 3.28Å; V298-N302 PolarHBondContact O-N 3.1Å; V298-N302 PolarHBondContact O-ND2 3.16Å |
| 299 | A | 95.9 | Very high | 93.8 | Very high | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E295 L296 E297 H303 | E295-A299 WeakPolarHBondContact O-CB 3.45Å; E295-A299 PolarHBondContact O-N 3.05Å; L296-A299 PolarHBondContact O-N 3.16Å; E297-A299 VanDerWaalsContact C-N 3.34Å; E297-A299 PolarHBondContact O-N 3.22Å; A299-H303 WeakPolarHBondContact O-CB 3.48Å; A299-H303 PolarHBondContact O-N 3.45Å; A299-H303 VanDerWaalsContact O-N 3.1Å |
| 300 | L | 95.2 | Very high | 92.6 | Very high | 112 Ų | 112 | 109 Ų | 109 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -49 | 175 | -72.2 | 171.2 | 0 | 0 | 0 | 111 | L296 E297 V298 N302 H303 L304 | L296-L300 WeakPolarHBondContact O-CB 3.43Å; L296-L300 VanDerWaalsContact O-CG 3.31Å; L296-L300 WeakPolarHBondContact O-CG 3.31Å; L296-L300 PolarHBondContact O-N 3.48Å; E297-L300 PolarHBondContact O-N 3.03Å; V298-L300 VanDerWaalsContact C-N 3.35Å; L300-N302 VanDerWaalsContact C-N 3.27Å; L300-N302 PolarHBondContact O-N 3.25Å; L300-H303 WeakPolarHBondContact O-CA 3.49Å; L300-H303 WeakPolarHBondContact O-CB 3.35Å; L300-H303 PolarHBondContact O-N 3.29Å; L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 3Å |
| 301 | E | 93.3 | Very high | 90.5 | Very high | 128 Ų | 128 | 109.2 Ų | 109.2 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -55.6 | -41 | 177.3 | -74.9 | 176.5 | 179.9 | 0 | 0 | 112.4 | E297 V298 H303 P305 | E297-E301 WeakPolarHBondContact O-CB 3.35Å; E297-E301 WeakPolarHBondContact O-CG 3.35Å; E297-E301 PolarHBondContact O-N 3.42Å; V298-E301 PolarHBondContact O-N 3.33Å; E301-H303 VanDerWaalsContact C-N 3.33Å; E301-P305 WeakPolarHBondContact O-CD 3.45Å |
| 302 | N | 93.3 | Very high | 88.4 | Confident | 107 Ų | 107 | 106.2 Ų | 106.2 | 57% | 0.572 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.1 | -27.8 | 175.2 | -74.4 | -48.6 | 0 | 0 | 0 | 113.4 | V298 L300 | V298-N302 WeakPolarHBondContact CG1-ND2 3.46Å; V298-N302 WeakPolarHBondContact O-CB 3.49Å; V298-N302 VanDerWaalsContact O-CG 3.28Å; V298-N302 PolarHBondContact O-N 3.1Å; V298-N302 PolarHBondContact O-ND2 3.16Å; L300-N302 VanDerWaalsContact C-N 3.27Å; L300-N302 PolarHBondContact O-N 3.25Å |
| 303 | H | 94.2 | Very high | 86 | Confident | 97 Ų | 97 | 105.1 Ų | 105.1 | 45% | 0.449 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -81 | -38.6 | 178.5 | 179.7 | 69.9 | 0 | 0 | 0 | 112.8 | A299 L300 E301 P305 R306 C307 | A299-H303 WeakPolarHBondContact O-CB 3.48Å; A299-H303 PolarHBondContact O-N 3.45Å; A299-H303 VanDerWaalsContact O-N 3.1Å; L300-H303 WeakPolarHBondContact O-CA 3.49Å; L300-H303 WeakPolarHBondContact O-CB 3.35Å; L300-H303 PolarHBondContact O-N 3.29Å; E301-H303 VanDerWaalsContact C-N 3.33Å; H303-P305 VanDerWaalsContact C-CD 3.44Å; H303-P305 VanDerWaalsContact C-N 3.35Å; H303-P305 VanDerWaalsContact O-N 3.17Å; H303-R306 CarbonylContact O-C 3.54Å; H303-R306 WeakPolarHBondContact O-CA 3.16Å; H303-R306 PolarHBondContact O-N 3.16Å; H303-C307 WeakPolarHBondContact NE2-CB 3.46Å; H303-C307 PolarHBondContact NE2-SG 3.31Å; H303-C307 VanDerWaalsContact NE2-SG 3.39Å; H303-C307 PolarHBondContact O-N 3.14Å; H303-C307 VanDerWaalsContact O-N 3.07Å |
| 304 | L | 89.8 | Confident | 83.9 | Confident | 105 Ų | 105 | 108.7 Ų | 108.7 | 55% | 0.55 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -42.8 | -48.8 | -179.3 | -73.2 | 178.7 | 0 | 0 | 0 | 114.3 | L300 R306 C307 | L300-L304 WeakPolarHBondContact O-CG 3.44Å; L300-L304 PolarHBondContact O-N 3Å; L304-R306 PolarHBondContact O-N 3.18Å; L304-C307 PolarHBondContact O-N 2.85Å |
| 305 | P | 89.1 | Confident | 81.5 | Confident | 109 Ų | 109 | 110.2 Ų | 110.2 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -69.3 | -14 | 179.9 | 26.8 | -36 | 0 | 0 | 0 | 114.8 | E301 H303 | E301-P305 WeakPolarHBondContact O-CD 3.45Å; H303-P305 VanDerWaalsContact C-CD 3.44Å; H303-P305 VanDerWaalsContact C-N 3.35Å; H303-P305 VanDerWaalsContact O-N 3.17Å |
| 306 | R | 88 | Confident | 79.4 | Confident | 202 Ų | 202 | 108.6 Ų | 108.6 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -107.8 | -1.9 | 178.9 | -59 | -178.8 | -176.8 | -179 | 2.6 | 112.7 | H303 L304 | H303-R306 CarbonylContact O-C 3.54Å; H303-R306 WeakPolarHBondContact O-CA 3.16Å; H303-R306 PolarHBondContact O-N 3.16Å; L304-R306 PolarHBondContact O-N 3.18Å |
| 307 | C | 89 | Confident | 77 | Confident | 33 Ų | 33 | 109.6 Ų | 109.6 | 22% | 0.223 | 64% | 0.636 | C | S | . | * | | | trans | -84.8 | 119.1 | -176.5 | -169.9 | 0 | 0 | 0 | 0 | 110.2 | H303 L304 | H303-C307 WeakPolarHBondContact NE2-CB 3.46Å; H303-C307 PolarHBondContact NE2-SG 3.31Å; H303-C307 VanDerWaalsContact NE2-SG 3.39Å; H303-C307 PolarHBondContact O-N 3.14Å; H303-C307 VanDerWaalsContact O-N 3.07Å; L304-C307 PolarHBondContact O-N 2.85Å |
| 308 | H | 83 | Confident | 75 | Confident | 189 Ų | 189 | 112.4 Ų | 112.4 | 88% | 0.875 | 65% | 0.654 | S | S | * | * | | | trans | -94.7 | 8 | 174.5 | -63.6 | -71.6 | 0 | 0 | 0 | 113 | | |
| 309 | L | 83.1 | Confident | 72.8 | Confident | 130 Ų | 130 | 117.2 Ų | 117.2 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -73.2 | 139.8 | 173.8 | -66.1 | 166.9 | 0 | 0 | 0 | 108.7 | C311 | L309-C311 PolarHBondContact O-N 3.14Š|
| 310 | P | 72 | Confident | 70.7 | Confident | 125 Ų | 125 | 117.9 Ų | 117.9 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | | | trans | -66 | 86 | 171.9 | 27.5 | -32.4 | 0 | 0 | 0 | 109.1 | G312 | P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 3.05Å; P310-G312 VanDerWaalsContact O-N 3.07Å |
| 311 | C | 55.8 | Low | 68.4 | Low | 116 Ų | 116 | 120.6 Ų | 120.6 | 78% | 0.784 | 70% | 0.703 | S | S | * | * | | | trans | -77.7 | 83.3 | 171.1 | -134.7 | 0 | 0 | 0 | 0 | 106.7 | L309 | L309-C311 PolarHBondContact O-N 3.14Š|
| 312 | G | 52.2 | Low | 66.4 | Low | 52 Ų | 52 | 122 Ų | 122 | 54% | 0.536 | 72% | 0.715 | S | S | . | * | | | trans | 171.7 | 71.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P310 E314 | P310-G312 VanDerWaalsContact C-N 3.29Å; P310-G312 PolarHBondContact O-N 3.05Å; P310-G312 VanDerWaalsContact O-N 3.07Å; G312-E314 PolarHBondContact O-N 3.47Å |
| 313 | G | 48.9 | Very low | 64 | Low | 88 Ų | 88 | 123.9 Ų | 123.9 | 91% | 0.907 | 73% | 0.725 | S | S | * | * | | | trans | -83.8 | 30.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S315 | G313-S315 VanDerWaalsContact C-N 3.35Å; G313-S315 PolarHBondContact O-N 3.49Å; G313-S315 VanDerWaalsContact O-N 3.13Å |
| 314 | E | 54.2 | Low | 61.9 | Low | 172 Ų | 172 | 125.6 Ų | 125.6 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -77.4 | 88 | 167.6 | 51 | 176.4 | 158.3 | 0 | 0 | 108.5 | G312 P316 | G312-E314 PolarHBondContact O-N 3.47Å; E314-P316 VanDerWaalsContact O-CD 3.3Å; E314-P316 WeakPolarHBondContact O-CD 3.43Å |
| 315 | S | 46.2 | Very low | 59.8 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | -72.6 | 117.2 | 164.9 | -155 | 0 | 0 | 0 | 0 | 107.4 | G313 S317 | G313-S315 VanDerWaalsContact C-N 3.35Å; G313-S315 PolarHBondContact O-N 3.49Å; G313-S315 VanDerWaalsContact O-N 3.13Å; S315-S317 PolarHBondContact O-N 2.94Å |
| 316 | P | 53.2 | Low | 58 | Low | 101 Ų | 101 | 125 Ų | 125 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | | | trans | -74.8 | 114.7 | 177.8 | 30.1 | -29.7 | 0 | 0 | 0 | 108.5 | E314 D318 | E314-P316 VanDerWaalsContact O-CD 3.3Å; E314-P316 WeakPolarHBondContact O-CD 3.43Å; P316-D318 PolarHBondContact O-N 3.31Å |
| 317 | S | 47.4 | Very low | 55.7 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | | | trans | 32.8 | 89.6 | 140.6 | -33.3 | 0 | 0 | 0 | 0 | 117.1 | S315 | S315-S317 PolarHBondContact O-N 2.94Š|
| 318 | D | 54.6 | Low | 54 | Low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | trans | -140.4 | 112.2 | 154.4 | 53.7 | -39.3 | 0 | 0 | 0 | 111.1 | P316 G320 | P316-D318 PolarHBondContact O-N 3.31Å; D318-G320 PolarHBondContact O-N 3.4Å; D318-G320 VanDerWaalsContact O-N 3.14Å |
| 319 | D | 51.3 | Low | 52.6 | Low | 176 Ų | 176 | 121.8 Ų | 121.8 | 94% | 0.941 | 78% | 0.778 | S | S | * | * | | | trans | -60.4 | 106.4 | 177.2 | -52.7 | -71.9 | 0 | 0 | 0 | 110.4 | | |
| 320 | G | 50.9 | Low | 51.3 | Low | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -162.6 | 99.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D318 | D318-G320 PolarHBondContact O-N 3.4Å; D318-G320 VanDerWaalsContact O-N 3.14Å |
| 321 | L | 47.2 | Very low | 50.4 | Low | 168 Ų | 168 | 123.5 Ų | 123.5 | 88% | 0.88 | 77% | 0.774 | S | S | * | * | | | trans | -45.4 | 150.6 | 176.7 | -77.1 | 114.8 | 0 | 0 | 0 | 114.6 | | |
| 322 | L | 51.2 | Low | 50.6 | Low | 159 Ų | 159 | 124.3 Ų | 124.3 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 111 | 93.6 | 161.6 | -55.3 | 176.6 | 0 | 0 | 0 | 113.8 | | |
| 323 | N | 43.4 | Very low | 50.7 | Low | 146 Ų | 146 | 126 Ų | 126 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | | 87 | 129.8 | 81.9 | -157.6 | 30.9 | 0 | 0 | 0 | 113.6 | | |
| 324 | V | 50.4 | Low | 50.8 | Low | 132 Ų | 132 | 128.9 Ų | 128.9 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | 85.8 | 108.4 | 165.6 | -164.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 325 | G | 44.7 | Very low | 50.7 | Low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | trans | 129.4 | 109.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 326 | V | 52.4 | Low | 50.9 | Low | 138 Ų | 138 | 129.9 Ų | 129.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | 83 | 103 | 150 | -171.3 | 0 | 0 | 0 | 0 | 116.3 | T328 | V326-T328 PolarHBondContact O-N 3.1Š|
| 327 | A | 39.1 | Very low | 50.8 | Low | 94 Ų | 94 | 128 Ų | 128 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -70.1 | 109.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 328 | T | 53.5 | Low | 50.8 | Low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -107.4 | 96.2 | 156.3 | 46.6 | 0 | 0 | 0 | 0 | 107.3 | V326 S330 | V326-T328 PolarHBondContact O-N 3.1Å; T328-S330 PolarHBondContact O-N 3.05Å; T328-S330 VanDerWaalsContact O-N 3.12Å |
| 329 | T | 53.4 | Low | 50.5 | Low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -71 | 103.5 | 174 | 49.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 330 | S | 56.1 | Low | 50.2 | Low | 88 Ų | 88 | 126.9 Ų | 126.9 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | | | trans | -61.1 | 127.7 | 165.3 | 157.3 | 0 | 0 | 0 | 0 | 109.3 | T328 | T328-S330 PolarHBondContact O-N 3.05Å; T328-S330 VanDerWaalsContact O-N 3.12Å |
| 331 | Y | 51.9 | Low | 50.5 | Low | 203 Ų | 203 | 131.6 Ų | 131.6 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -79.8 | 113.3 | 170.8 | 62.2 | -80.1 | 0 | 0 | 0 | 107.3 | | |
| 332 | N | 61.4 | Low | 50.4 | Low | 133 Ų | 133 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -93.6 | 108.4 | 168.1 | -73.2 | -46.2 | 0 | 0 | 0 | 107.2 | D334 | N332-D334 PolarHBondContact O-N 2.95Å; N332-D334 VanDerWaalsContact O-N 3.15Å |
| 333 | S | 53.6 | Low | 50.1 | Low | 87 Ų | 87 | 128.7 Ų | 128.7 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -72.1 | 93.3 | 164.1 | -72.9 | 0 | 0 | 0 | 0 | 107.1 | | |
| 334 | D | 50.1 | Low | 50.3 | Low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | 171.3 | 61.1 | 154.9 | -83.4 | -24.7 | 0 | 0 | 0 | 109 | N332 | N332-D334 PolarHBondContact O-N 2.95Å; N332-D334 VanDerWaalsContact O-N 3.15Å |
| 335 | D | 53.7 | Low | 50 | Low | 140 Ų | 140 | 132.5 Ų | 132.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | | | trans | -139.5 | 95.9 | 166.6 | -83.5 | -45.2 | 0 | 0 | 0 | 109 | A337 | D335-A337 HydrophobicContact CB-CB 4.13Å; D335-A337 PolarHBondContact O-N 3.27Å |
| 336 | T | 50.2 | Low | 50 | Low | 158 Ų | 158 | 138.3 Ų | 138.3 | 97% | 0.969 | 78% | 0.778 | S | S | * | * | | | trans | -68.7 | 58.4 | 153.2 | 37.1 | 0 | 0 | 0 | 0 | 109 | | |
| 337 | A | 50.6 | Low | 49.6 | Very low | 62 Ų | 62 | 140 Ų | 140 | 51% | 0.512 | 78% | 0.777 | S | S | . | * | | | trans | -88.8 | 107.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | D335 L339 | D335-A337 HydrophobicContact CB-CB 4.13Å; D335-A337 PolarHBondContact O-N 3.27Å; A337-L339 PolarHBondContact O-N 3.1Å |
| 338 | V | 47.9 | Very low | 49.9 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | -13.2 | 102 | 150.8 | -82.6 | 0 | 0 | 0 | 0 | 113.5 | S340 | V338-S340 PolarHBondContact O-N 3.39Š|
| 339 | L | 48.5 | Very low | 49.6 | Very low | 168 Ų | 168 | 141 Ų | 141 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | -69.8 | 78.2 | 169.6 | -89.4 | 159.7 | 0 | 0 | 0 | 109.3 | A337 M341 | A337-L339 PolarHBondContact O-N 3.1Å; L339-M341 PolarHBondContact O-N 2.85Å |
| 340 | S | 44.3 | Very low | 49 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | | | trans | -72.8 | 95.4 | 159.2 | -168.5 | 0 | 0 | 0 | 0 | 107.1 | V338 Q342 | V338-S340 PolarHBondContact O-N 3.39Å; S340-Q342 PolarHBondContact O-N 2.99Å |
| 341 | M | 56.4 | Low | 48.5 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 82% | 0.823 | 78% | 0.782 | S | S | * | * | | | trans | -62.4 | 99.6 | 173 | -77.3 | -139 | 70.2 | 0 | 0 | 109.9 | L339 A343 | L339-M341 PolarHBondContact O-N 2.85Å; M341-A343 PolarHBondContact O-N 3.04Å |
| 342 | Q | 46.1 | Very low | 48.3 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -70.8 | 122.7 | 161.6 | -77.6 | -178.9 | -6.1 | 0 | 0 | 108.8 | S340 V344 | S340-Q342 PolarHBondContact O-N 2.99Å; Q342-V344 PolarHBondContact O-N 3.26Å |
| 343 | A | 43.8 | Very low | 47.1 | Very low | 92 Ų | 92 | 138.6 Ų | 138.6 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -55.5 | 121.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | M341 R345 | M341-A343 PolarHBondContact O-N 3.04Å; A343-R345 PolarHBondContact O-N 2.72Å |
| 344 | V | 49.2 | Very low | 46.8 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 76% | 0.758 | 79% | 0.789 | S | S | * | * | | | trans | -68.4 | 114.1 | 165 | 178 | 0 | 0 | 0 | 0 | 107.7 | Q342 H346 | Q342-V344 PolarHBondContact O-N 3.26Å; V344-H346 PolarHBondContact O-N 3.36Å |
| 345 | R | 43 | Very low | 46.5 | Very low | 233 Ų | 233 | 140 Ų | 140 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | | | trans | -71 | 119.6 | 171.3 | -62.7 | 176.3 | 173.4 | -173.2 | -2.8 | 108.3 | A343 | A343-R345 PolarHBondContact O-N 2.72Š|
| 346 | H | 45.7 | Very low | 45.6 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | -108.6 | 114.5 | 161.2 | -113.5 | -86.2 | 0 | 0 | 0 | 108.9 | V344 | V344-H346 PolarHBondContact O-N 3.36Š|
| 347 | E | 43.5 | Very low | 45.5 | Very low | 175 Ų | 175 | 137.2 Ų | 137.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -80.2 | 158.3 | 179.5 | -71.5 | -156.3 | 110.7 | 0 | 0 | 113.1 | | |
| 348 | S | 45.3 | Very low | 45.1 | Very low | 97 Ų | 97 | 139.6 Ų | 139.6 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | 80 | 109.1 | 150.2 | -160.2 | 0 | 0 | 0 | 0 | 118 | | |
| 349 | N | 46.3 | Very low | 45 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | | 168.5 | 89.2 | 116.9 | -74.8 | -27.9 | 0 | 0 | 0 | 108.2 | | |
| 350 | K | 42.4 | Very low | 45 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | | | | 78.7 | 99 | 91.6 | -163.8 | 162.1 | -173.1 | 178.8 | 0 | 114.2 | | |
| 351 | S | 44.4 | Very low | 44.7 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -71.2 | 165.5 | 165.8 | -46 | 0 | 0 | 0 | 0 | 112.6 | | |
| 352 | P | 47.3 | Very low | 44.6 | Very low | 130 Ų | 130 | 141.8 Ų | 141.8 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | | | | -138.4 | 147.4 | 108.1 | 35 | -20.9 | 0 | 0 | 0 | 110.6 | | |
| 353 | G | 37.7 | Very low | 45.5 | Very low | 63 Ų | 63 | 139.7 Ų | 139.7 | 65% | 0.649 | 79% | 0.788 | S | S | * | * | | | cis | 114.7 | 148.1 | 49.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 354 | S | 46.4 | Very low | 46.2 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | 80.4 | 135.9 | 174 | 72 | 0 | 0 | 0 | 0 | 117.8 | | |
| 355 | D | 43.7 | Very low | 46.6 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | cis | -161.7 | 145.1 | -4.8 | -86.6 | -30.2 | 0 | 0 | 0 | 107.9 | | |
| 356 | S | 35.5 | Very low | 47 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -98.1 | 145.6 | 167.6 | 52 | 0 | 0 | 0 | 0 | 110.7 | | |
| 357 | P | 48.5 | Very low | 47.9 | Very low | 125 Ų | 125 | 140 Ų | 140 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | | | trans | -122.1 | 127.2 | 146.7 | 25.7 | -9.9 | 0 | 0 | 0 | 111.7 | | |
| 358 | T | 42.3 | Very low | 48.6 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.693 | 79% | 0.787 | S | S | * | * | | | trans | -47.1 | 164.1 | 160 | -34.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 359 | E | 45.1 | Very low | 49.1 | Very low | 160 Ų | 160 | 138 Ų | 138 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | 84.3 | 95.8 | 162 | -55.9 | -61.1 | 131.9 | 0 | 0 | 118 | | |
| 360 | S | 47.9 | Very low | 49.6 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | | 165.7 | 131.1 | 102.3 | 49.4 | 0 | 0 | 0 | 0 | 111.8 | L362 | S360-L362 PolarHBondContact O-N 3.05Å; S360-L362 VanDerWaalsContact O-N 3.16Å |
| 361 | F | 38.4 | Very low | 50 | Low | 201 Ų | 201 | 135.3 Ų | 135.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | -61.6 | 105 | 177.4 | -76.3 | -105.4 | 0 | 0 | 0 | 111.4 | | |
| 362 | L | 54.7 | Low | 50.1 | Low | 164 Ų | 164 | 140.9 Ų | 140.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | trans | -101.1 | 98 | 165.7 | -67.1 | -177.8 | 0 | 0 | 0 | 110.4 | S360 R364 | S360-L362 PolarHBondContact O-N 3.05Å; S360-L362 VanDerWaalsContact O-N 3.16Å; L362-R364 PolarHBondContact O-N 3.37Å |
| 363 | V | 64.1 | Low | 50.1 | Low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | -45.8 | 127 | 165.6 | 171 | 0 | 0 | 0 | 0 | 110.8 | P365 | V363-P365 WeakPolarHBondContact O-CD 3.3Š|
| 364 | R | 59.1 | Low | 50.3 | Low | 227 Ų | 227 | 142.9 Ų | 142.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -65.2 | 120.1 | 173 | -170.6 | 174 | -172.5 | 179.1 | 2.7 | 109.6 | L362 K366 | L362-R364 PolarHBondContact O-N 3.37Å; R364-K366 PolarHBondContact O-N 3.23Å |
| 365 | P | 57.1 | Low | 50.4 | Low | 110 Ų | 110 | 144.2 Ų | 144.2 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | | | trans | -68.9 | 123.7 | -177.9 | 25.9 | -31.1 | 0 | 0 | 0 | 110.6 | V363 S367 | V363-P365 WeakPolarHBondContact O-CD 3.3Å; P365-S367 VanDerWaalsContact C-N 3.34Å; P365-S367 PolarHBondContact O-N 2.9Å |
| 366 | K | 52.6 | Low | 50.9 | Low | 208 Ų | 208 | 143.3 Ų | 143.3 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -85.2 | 77.6 | 166.2 | -76.1 | 165.6 | 177.1 | 167.9 | 0 | 108.6 | R364 | R364-K366 PolarHBondContact O-N 3.23Š|
| 367 | S | 63.9 | Low | 51.8 | Low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 158.4 | 125.9 | 154.4 | 46.4 | 0 | 0 | 0 | 0 | 108.4 | P365 G369 | P365-S367 VanDerWaalsContact C-N 3.34Å; P365-S367 PolarHBondContact O-N 2.9Å; S367-G369 VanDerWaalsContact C-N 3.27Å; S367-G369 PolarHBondContact O-N 3.16Å |
| 368 | L | 58.2 | Low | 51.5 | Low | 170 Ų | 170 | 144.9 Ų | 144.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | | | trans | -65.9 | 95.2 | 160.8 | -88.1 | 158.6 | 0 | 0 | 0 | 107 | I370 | L368-I370 VanDerWaalsContact C-N 3.34Å; L368-I370 PolarHBondContact O-N 2.98Å |
| 369 | G | 54.4 | Low | 52.6 | Low | 61 Ų | 61 | 147.2 Ų | 147.2 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | | | trans | -66.4 | 95.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S367 I371 | S367-G369 VanDerWaalsContact C-N 3.27Å; S367-G369 PolarHBondContact O-N 3.16Å; G369-I371 PolarHBondContact O-N 2.93Å |
| 370 | I | 57 | Low | 53.6 | Low | 139 Ų | 139 | 144.2 Ų | 144.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 99 | 169.3 | -62.2 | 171.4 | 0 | 0 | 0 | 106.5 | L368 R372 | L368-I370 VanDerWaalsContact C-N 3.34Å; L368-I370 PolarHBondContact O-N 2.98Å; I370-R372 HydrophobicContact CG2-CG 4.34Å; I370-R372 PolarHBondContact O-N 3.19Å; I370-R372 VanDerWaalsContact O-N 3.1Å |
| 371 | I | 51.9 | Low | 54.1 | Low | 154 Ų | 154 | 147.4 Ų | 147.4 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 106.9 | 167.4 | -61.6 | 176.4 | 0 | 0 | 0 | 106.5 | G369 | G369-I371 PolarHBondContact O-N 2.93Š|
| 372 | R | 46.6 | Very low | 55 | Low | 227 Ų | 227 | 146.5 Ų | 146.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 112.1 | 168.1 | -73.8 | -166.3 | 164 | 125.3 | -1.7 | 108.5 | I370 | I370-R372 HydrophobicContact CG2-CG 4.34Å; I370-R372 PolarHBondContact O-N 3.19Å; I370-R372 VanDerWaalsContact O-N 3.1Å |
| 373 | L | 45.9 | Very low | 55.3 | Low | 171 Ų | 171 | 143.2 Ų | 143.2 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -135 | 122.6 | 167 | -148 | 74.5 | 0 | 0 | 0 | 107.7 | | |
| 374 | G | 43.4 | Very low | 54.8 | Low | 64 Ų | 64 | 141.4 Ų | 141.4 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 116.7 | 71 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 375 | T | 47.3 | Very low | 54.4 | Low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | 43.8 | 94.2 | 130.5 | 63.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 376 | T | 55.1 | Low | 54.2 | Low | 138 Ų | 138 | 139.7 Ų | 139.7 | 85% | 0.847 | 77% | 0.769 | S | S | * | * | | | trans | -153.5 | 145.2 | 135.5 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 377 | P | 54.7 | Low | 54.1 | Low | 125 Ų | 125 | 136.6 Ų | 136.6 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | | | trans | -82.4 | 132 | -168.7 | 32.8 | -32.1 | 0 | 0 | 0 | 112.5 | | |
| 378 | D | 41 | Very low | 53.4 | Low | 145 Ų | 145 | 139.8 Ų | 139.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | | | trans | 56.4 | 85 | 134.3 | -141.2 | 23.1 | 0 | 0 | 0 | 118.5 | | |
| 379 | M | 65.6 | Low | 53 | Low | 163 Ų | 163 | 139.6 Ų | 139.6 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | | | trans | -124.9 | 112.7 | 149.3 | -85.6 | -91.5 | 72.8 | 0 | 0 | 108.2 | M381 | M379-M381 PolarHBondContact O-N 2.83Å; M379-M381 VanDerWaalsContact O-N 3.15Å |
| 380 | P | 67.2 | Low | 52.5 | Low | 96 Ų | 96 | 144 Ų | 144 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | | | trans | -66 | 115.3 | 174.6 | 25.7 | -33.6 | 0 | 0 | 0 | 109.5 | E382 | P380-E382 PolarHBondContact O-N 3.31Å; P380-E382 VanDerWaalsContact O-N 3.1Å |
| 381 | M | 58.2 | Low | 52.3 | Low | 166 Ų | 166 | 140.7 Ų | 140.7 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -71.8 | 98.8 | 164.6 | -61.9 | -169 | -39.2 | 0 | 0 | 108.2 | M379 T383 | M379-M381 PolarHBondContact O-N 2.83Å; M379-M381 VanDerWaalsContact O-N 3.15Å; M381-T383 PolarHBondContact O-N 3.17Å |
| 382 | E | 57.1 | Low | 52.6 | Low | 182 Ų | 182 | 138.6 Ų | 138.6 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | | | trans | -67.9 | 85.2 | 163.6 | -67.6 | -157.9 | 169.1 | 0 | 0 | 108.9 | P380 P384 | P380-E382 PolarHBondContact O-N 3.31Å; P380-E382 VanDerWaalsContact O-N 3.1Å; E382-P384 VanDerWaalsContact O-CD 3.3Å; E382-P384 WeakPolarHBondContact O-CD 3.37Å |
| 383 | T | 60.4 | Low | 52.9 | Low | 95 Ų | 95 | 135.2 Ų | 135.2 | 58% | 0.583 | 74% | 0.742 | S | S | * | * | | | trans | -70.4 | 118.9 | 160.9 | -43.2 | 0 | 0 | 0 | 0 | 105.8 | M381 S385 | M381-T383 PolarHBondContact O-N 3.17Å; T383-S385 PolarHBondContact O-N 3.15Å; T383-S385 PolarHBondContact O-OG 3.11Å |
| 384 | P | 54 | Low | 53.2 | Low | 92 Ų | 92 | 136.9 Ų | 136.9 | 60% | 0.597 | 74% | 0.736 | S | S | * | * | | | trans | -73.7 | 71 | 173.7 | 30.8 | -34.2 | 0 | 0 | 0 | 109.5 | E382 K386 | E382-P384 VanDerWaalsContact O-CD 3.3Å; E382-P384 WeakPolarHBondContact O-CD 3.37Å; P384-K386 PolarHBondContact O-N 3.33Å |
| 385 | S | 51.3 | Low | 53.6 | Low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 73.7 | 165.8 | 37 | 0 | 0 | 0 | 0 | 108.6 | T383 | T383-S385 PolarHBondContact O-N 3.15Å; T383-S385 PolarHBondContact O-OG 3.11Å |
| 386 | K | 52.9 | Low | 53.7 | Low | 204 Ų | 204 | 138.3 Ų | 138.3 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -172.3 | 1 | 162 | -104 | 152.7 | -165.1 | -180 | 0 | 116.5 | P384 | P384-K386 PolarHBondContact O-N 3.33Š|
| 387 | I | 50.5 | Low | 53 | Low | 143 Ų | 143 | 137.8 Ų | 137.8 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -101.2 | -10.1 | -177.7 | -58.7 | 171.3 | 0 | 0 | 0 | 112.9 | L389 | I387-L389 PolarHBondContact O-N 3.05Š|
| 388 | F | 48.8 | Very low | 52.6 | Low | 165 Ų | 165 | 135 Ų | 135 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | | | trans | -93.6 | 81.6 | 172 | -66.7 | -76 | 0 | 0 | 0 | 111 | F390 | F388-F390 HydrophobicContact CB-CD2 3.83Å; F388-F390 HydrophobicContact CB-CE2 4.21Å; F388-F390 HydrophobicContact CD1-CD2 4.3Å; F388-F390 AromaticContact CD1-CE2 3.91Å; F388-F390 HydrophobicContact CD1-CE2 3.91Å; F388-F390 HydrophobicContact CG-CD2 4.38Å; F388-F390 HydrophobicContact CG-CE2 4.26Å; F388-F390 PolarHBondContact O-N 3.1Å |
| 389 | L | 49.4 | Very low | 52.6 | Low | 166 Ų | 166 | 136.5 Ų | 136.5 | 87% | 0.869 | 72% | 0.724 | S | S | * | * | | | trans | -71.5 | 79 | 154.7 | -167.7 | 70.5 | 0 | 0 | 0 | 107.1 | I387 D391 | I387-L389 PolarHBondContact O-N 3.05Å; L389-D391 VanDerWaalsContact C-N 3.26Å; L389-D391 PolarHBondContact O-N 3.15Å |
| 390 | F | 44.1 | Very low | 52.3 | Low | 155 Ų | 155 | 134.5 Ų | 134.5 | 68% | 0.68 | 72% | 0.721 | S | S | * | * | | | trans | -66.6 | 92 | 166.5 | -100.8 | -84 | 0 | 0 | 0 | 107 | F388 P392 | F388-F390 HydrophobicContact CB-CD2 3.83Å; F388-F390 HydrophobicContact CB-CE2 4.21Å; F388-F390 HydrophobicContact CD1-CD2 4.3Å; F388-F390 AromaticContact CD1-CE2 3.91Å; F388-F390 HydrophobicContact CD1-CE2 3.91Å; F388-F390 HydrophobicContact CG-CD2 4.38Å; F388-F390 HydrophobicContact CG-CE2 4.26Å; F388-F390 PolarHBondContact O-N 3.1Å; F390-P392 WeakPolarHBondContact O-CD 3.3Å |
| 391 | D | 52 | Low | 51.2 | Low | 68 Ų | 68 | 135.9 Ų | 135.9 | 36% | 0.364 | 73% | 0.73 | S | S | . | * | | | trans | -75.8 | 104.9 | 167.5 | -165.4 | -1.7 | 0 | 0 | 0 | 107.3 | L389 L393 R394 | L389-D391 VanDerWaalsContact C-N 3.26Å; L389-D391 PolarHBondContact O-N 3.15Å; D391-L393 PolarHBondContact O-N 2.84Å; D391-R394 IonicContact OD2-NE 3.76Å |
| 392 | P | 58.3 | Low | 50.9 | Low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 1.3 | -173.2 | -12.7 | 29.8 | 0 | 0 | 0 | 113 | F390 | F390-P392 WeakPolarHBondContact O-CD 3.3Š|
| 393 | L | 54.4 | Low | 50.3 | Low | 155 Ų | 155 | 130.6 Ų | 130.6 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 9.5 | -171 | -62.7 | 177.2 | 0 | 0 | 0 | 114 | D391 | D391-L393 PolarHBondContact O-N 2.84Š|
| 394 | R | 52.1 | Low | 49.2 | Very low | 207 Ų | 207 | 135 Ų | 135 | 78% | 0.781 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -120.1 | 10.3 | 176.8 | -77.8 | -176.1 | 179.4 | 170.9 | 3.3 | 115.7 | D391 P396 | D391-R394 IonicContact OD2-NE 3.76Å; R394-P396 WeakPolarHBondContact O-CD 3.48Å |
| 395 | I | 52.2 | Low | 49.1 | Very low | 111 Ų | 111 | 139.8 Ų | 139.8 | 57% | 0.569 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -96.6 | 112.8 | 165.6 | -57.8 | 171.5 | 0 | 0 | 0 | 106.2 | T397 | I395-T397 PolarHBondContact O-N 2.71Š|
| 396 | P | 48.3 | Very low | 48.5 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -69.9 | 90.1 | 168.8 | 29.2 | -29.2 | 0 | 0 | 0 | 107 | R394 G398 | R394-P396 WeakPolarHBondContact O-CD 3.48Å; P396-G398 PolarHBondContact O-N 2.98Å |
| 397 | T | 41.3 | Very low | 48.3 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -61 | 79.3 | 149.7 | 29.6 | 0 | 0 | 0 | 0 | 107.3 | I395 M399 | I395-T397 PolarHBondContact O-N 2.71Å; T397-M399 PolarHBondContact O-N 2.73Å; T397-M399 VanDerWaalsContact O-N 3.17Å |
| 398 | G | 44.7 | Very low | 48.3 | Very low | 65 Ų | 65 | 140.7 Ų | 140.7 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | -84.9 | 64.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | P396 T400 | P396-G398 PolarHBondContact O-N 2.98Å; G398-T400 PolarHBondContact O-N 3.25Å |
| 399 | M | 42.7 | Very low | 48.1 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | trans | -71.8 | 102.5 | 154.2 | -69.9 | -167.1 | 76.9 | 0 | 0 | 107.2 | T397 | T397-M399 PolarHBondContact O-N 2.73Å; T397-M399 VanDerWaalsContact O-N 3.17Å |
| 400 | T | 59.1 | Low | 48 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | -149.3 | 124.9 | 160 | 47.9 | 0 | 0 | 0 | 0 | 110.9 | G398 | G398-T400 PolarHBondContact O-N 3.25Š|
| 401 | P | 42.5 | Very low | 48 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -93.7 | 124.4 | -173.6 | 35.1 | -29.1 | 0 | 0 | 0 | 110.9 | | |
| 402 | V | 52.5 | Low | 47.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | | | trans | -146.7 | 102 | -178.2 | -171 | 0 | 0 | 0 | 0 | 113.1 | | |
| 403 | T | 45.8 | Very low | 46.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | trans | 73.9 | 117.6 | 138.1 | 68.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 404 | H | 36.2 | Very low | 45.8 | Very low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -46 | 132.2 | 159 | -75.5 | -110.3 | 0 | 0 | 0 | 113.2 | | |
| 405 | K | 51.6 | Low | 45.2 | Very low | 192 Ų | 192 | 136 Ų | 136 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | | | trans | -137.9 | 129.1 | 148.4 | -70.3 | -168 | 177.6 | -177.8 | 0 | 108.4 | | |
| 406 | E | 38.5 | Very low | 44.6 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -49.5 | 133.7 | -176.7 | -68.1 | 149.3 | 140.5 | 0 | 0 | 112.3 | | |
| 407 | V | 48.5 | Very low | 44.3 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -140 | 123.7 | 161.8 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 408 | D | 50.6 | Low | 44.8 | Very low | 135 Ų | 135 | 140.2 Ų | 140.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -59.7 | 154 | -169.6 | -54.7 | -64 | 0 | 0 | 0 | 115.1 | I410 | D408-I410 PolarHBondContact O-N 2.94Š|
| 409 | P | 45.3 | Very low | 44.6 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 104.7 | 177.2 | 33.1 | -28.9 | 0 | 0 | 0 | 110.4 | L411 | P409-L411 PolarHBondContact O-N 2.96Å; P409-L411 VanDerWaalsContact O-N 3.17Å |
| 410 | I | 47.2 | Very low | 44.6 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -80.2 | 99 | 168.6 | -59.4 | 178.9 | 0 | 0 | 0 | 109.5 | D408 | D408-I410 PolarHBondContact O-N 2.94Š|
| 411 | L | 44.3 | Very low | 43.7 | Very low | 157 Ų | 157 | 141 Ų | 141 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 13.5 | 124.4 | 144 | -74 | 158.1 | 0 | 0 | 0 | 120.1 | P409 | P409-L411 PolarHBondContact O-N 2.96Å; P409-L411 VanDerWaalsContact O-N 3.17Å |
| 412 | N | 34.9 | Very low | 43.7 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -13.6 | 118.2 | 150.8 | -79.1 | -4.4 | 0 | 0 | 0 | 116.9 | | |
| 413 | A | 42.8 | Very low | 43.2 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | | | trans | -107.4 | 106.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 414 | A | 41.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 140.4 Ų | 140.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -72.1 | 154 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 415 | S | 38.1 | Very low | 43.7 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | 60.7 | 88.3 | 145.2 | -153.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 416 | G | 40.8 | Very low | 43.6 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | trans | -137.7 | 92.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | M418 | G416-M418 PolarHBondContact O-N 3.29Š|
| 417 | Y | 42.2 | Very low | 44 | Very low | 210 Ų | 210 | 137.5 Ų | 137.5 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -66.4 | 92.9 | 176.4 | -164.1 | -99.2 | 0 | 0 | 0 | 109.1 | H419 | Y417-H419 PolarHBondContact O-N 2.81Å; Y417-H419 VanDerWaalsContact O-N 3.1Å |
| 418 | M | 50.9 | Low | 43.9 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | | | trans | -75.5 | 94.2 | 175 | -75 | -72.6 | -150.6 | 0 | 0 | 109.2 | G416 C420 | G416-M418 PolarHBondContact O-N 3.29Å; M418-C420 PolarHBondContact O-N 2.83Å |
| 419 | H | 40.8 | Very low | 43.7 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 56% | 0.556 | 77% | 0.768 | S | S | * | * | | | trans | -76.8 | 97.4 | 169.8 | -167.3 | 69.3 | 0 | 0 | 0 | 108.8 | Y417 R421 | Y417-H419 PolarHBondContact O-N 2.81Å; Y417-H419 VanDerWaalsContact O-N 3.1Å; H419-R421 VanDerWaalsContact NE2-CZ 3.28Å; H419-R421 PolarHBondContact NE2-NH1 3.17Å; H419-R421 VanDerWaalsContact NE2-NH1 3.19Å |
| 420 | C | 41.8 | Very low | 43.7 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | | | trans | -102.3 | 96 | 178.4 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | M418 | M418-C420 PolarHBondContact O-N 2.83Š|
| 421 | R | 40.6 | Very low | 43.6 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | | | trans | -76.9 | 130.6 | 165.3 | -74.9 | -171.8 | 163.9 | 106.3 | 0.4 | 109.6 | H419 | H419-R421 VanDerWaalsContact NE2-CZ 3.28Å; H419-R421 PolarHBondContact NE2-NH1 3.17Å; H419-R421 VanDerWaalsContact NE2-NH1 3.19Å |
| 422 | M | 42.3 | Very low | 43.4 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | | | trans | -141 | 112.9 | 168.6 | -72.3 | -130.8 | 155.3 | 0 | 0 | 107.7 | R258 | R258-M422 PolarHBondContact NH1-SD 3.31Š|
| 423 | D | 42.4 | Very low | 43.9 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -114.7 | 135.5 | 169.8 | -66.4 | -62.1 | 0 | 0 | 0 | 108.3 | | |
| 424 | D | 45.3 | Very low | 44.1 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 41% | 0.406 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -92.2 | 118.9 | 179.8 | -73.2 | -73.7 | 0 | 0 | 0 | 108.1 | K251 A255 | K251-D424 IonicContact NZ-OD1 2.72Å; A255-D424 WeakPolarHBondContact CB-OD2 3.16Å |
| 425 | E | 47.1 | Very low | 44.5 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.6 | 168.9 | -77.4 | -74.8 | 114 | 0 | 0 | 109.5 | | |
| 426 | D | 50 | Low | 44.9 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 121 | 172 | -82.6 | -52.5 | 0 | 0 | 0 | 110.7 | R428 | D426-R428 PolarHBondContact O-N 3.33Š|
| 427 | D | 47.1 | Very low | 45.5 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | | | trans | -56.8 | 111.5 | 165.9 | -78.2 | -66.9 | 0 | 0 | 0 | 110.9 | | |
| 428 | R | 47.1 | Very low | 45.9 | Very low | 237 Ų | 237 | 136.4 Ų | 136.4 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | | | trans | -121.9 | 119.8 | 168.5 | -148.2 | 179.7 | -173.2 | -154.1 | 1.8 | 110.2 | D426 S430 | D426-R428 PolarHBondContact O-N 3.33Å; R428-S430 PolarHBondContact O-N 2.95Å |
| 429 | P | 44.5 | Very low | 45.9 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | trans | -75.8 | 124.4 | -178.1 | 29.7 | -31.8 | 0 | 0 | 0 | 110.6 | S431 | P429-S431 PolarHBondContact O-N 2.97Š|
| 430 | S | 46.2 | Very low | 46.8 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -78.1 | 102.5 | 174.6 | 43.4 | 0 | 0 | 0 | 0 | 110.8 | R428 | R428-S430 PolarHBondContact O-N 2.95Š|
| 431 | S | 45.5 | Very low | 47.5 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -78.4 | 123.7 | 164.1 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | P429 | P429-S431 PolarHBondContact O-N 2.97Š|
| 432 | S | 40.3 | Very low | 48.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | -50.6 | 138.4 | 171.8 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 433 | S | 44 | Very low | 49.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -175.7 | 159 | 135.5 | 57.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 434 | S | 47.2 | Very low | 50.2 | Low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 86.6 | 131.4 | -178.3 | 89.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 435 | S | 51.2 | Low | 50.9 | Low | 117 Ų | 117 | 144.2 Ų | 144.2 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | | | cis | -161.8 | 151.7 | 10.2 | 43.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 436 | A | 45.2 | Very low | 51.1 | Low | 94 Ų | 94 | 142.1 Ų | 142.1 | 78% | 0.777 | 84% | 0.839 | S | S | * | * | | | trans | -68.8 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 437 | S | 54.1 | Low | 51.2 | Low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | | | trans | -159.5 | 101.5 | 147 | -86 | 0 | 0 | 0 | 0 | 112.6 | | |
| 438 | K | 49.7 | Very low | 51.4 | Low | 189 Ų | 189 | 139.9 Ų | 139.9 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | trans | 58.6 | 129.2 | 133.1 | -61.8 | 175.2 | 179.1 | 172.4 | 0 | 120.8 | | |
| 439 | S | 51.9 | Low | 51.6 | Low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | | | trans | 101.2 | 96.9 | 141.7 | -30.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 440 | K | 59.8 | Low | 52.1 | Low | 215 Ų | 215 | 134.9 Ų | 134.9 | 94% | 0.935 | 84% | 0.835 | S | S | * | * | | | trans | -153 | 116.1 | 139.6 | -108.8 | 164.1 | -172.9 | 176.1 | 0 | 109.5 | | |
| 441 | A | 56.3 | Low | 52.5 | Low | 98 Ų | 98 | 135.6 Ų | 135.6 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | | | trans | -78.4 | 137.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 442 | L | 62.7 | Low | 53 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | | | trans | -164.3 | 97.7 | 156.3 | -144.6 | 132 | 0 | 0 | 0 | 106.3 | | |
| 443 | V | 58.7 | Low | 54 | Low | 116 Ų | 116 | 138.7 Ų | 138.7 | 70% | 0.703 | 84% | 0.836 | S | S | * | * | | | | 77.5 | 108.3 | 90.7 | 169.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 444 | T | 60.3 | Low | 54.8 | Low | 123 Ų | 123 | 140.8 Ų | 140.8 | 76% | 0.755 | 84% | 0.84 | S | S | * | * | | | trans | 33.2 | 124.3 | 145.4 | 49.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 445 | L | 60.3 | Low | 55.5 | Low | 242 Ų | 242 | 143 Ų | 143 | 100% | 1.267 | 84% | 0.842 | S | S | * | * | | | | -155.2 | 0 | 61.2 | -97.9 | 163.5 | 0 | 0 | 0 | 110.8 | | |