| 1 | M | 56.8 | Low | 59.2 | Low | 191 Ų | 191 | 133 Ų | 133 | 94% | 0.941 | 65% | 0.651 | S | S | * | * | | | | 0 | -73.7 | 0 | -69.6 | 178.8 | 175.2 | 0 | 0 | 112.7 | R3 Q4 I5 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.88Å; M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 3.05Å; M1-I5 PolarHBondContact O-N 3Å |
| 2 | S | 54 | Low | 59.2 | Low | 95 Ų | 95 | 131.9 Ų | 131.9 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -51 | -37 | -166.5 | -39.9 | 0 | 0 | 0 | 0 | 116.7 | Q4 I5 S6 | S2-Q4 PolarHBondContact O-N 3.17Å; S2-I5 PolarHBondContact O-N 2.83Å; S2-S6 PolarHBondContact O-N 3.15Å |
| 3 | R | 58 | Low | 58.7 | Low | 232 Ų | 232 | 130.2 Ų | 130.2 | 88% | 0.875 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.9 | -39.1 | 175.7 | -68.3 | -172.1 | -176.8 | -124 | 3.6 | 113.4 | M1 I5 S6 Q7 | M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 2.88Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.15Å; R3-S6 PolarHBondContact O-N 3.12Å; R3-Q7 PolarHBondContact O-N 3.21Å |
| 4 | Q | 62.8 | Low | 58.6 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.4 | -31.1 | 176.7 | -71.2 | 166.4 | -50.6 | 0 | 0 | 112.2 | M1 S2 Q7 K8 | M1-Q4 WeakPolarHBondContact O-CB 3.32Å; M1-Q4 PolarHBondContact O-N 3.05Å; S2-Q4 PolarHBondContact O-N 3.17Å; Q4-Q7 PolarHBondContact O-N 3.13Å; Q4-K8 PolarHBondContact O-N 2.97Å |
| 5 | I | 63.8 | Low | 58.5 | Low | 94 Ų | 94 | 134.4 Ų | 134.4 | 48% | 0.482 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -68.7 | -42.7 | 178.2 | -59.5 | 175.6 | 0 | 0 | 0 | 110.4 | M1 S2 R3 Q7 K8 R9 | M1-I5 PolarHBondContact O-N 3Å; S2-I5 PolarHBondContact O-N 2.83Å; R3-I5 VanDerWaalsContact C-N 3.32Å; R3-I5 PolarHBondContact O-N 3.15Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.87Å; I5-K8 PolarHBondContact O-N 3.04Å; I5-R9 WeakPolarHBondContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 2.93Å |
| 6 | S | 60.5 | Low | 58.3 | Low | 85 Ų | 85 | 136.8 Ų | 136.8 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.3 | -40 | 172.9 | -62.5 | 0 | 0 | 0 | 0 | 112.4 | S2 R3 R9 S10 | S2-S6 PolarHBondContact O-N 3.15Å; R3-S6 PolarHBondContact O-N 3.12Å; S6-R9 PolarHBondContact O-N 2.77Å; S6-S10 PolarHBondContact O-N 2.83Å |
| 7 | Q | 60.4 | Low | 58.1 | Low | 133 Ų | 133 | 138.1 Ų | 138.1 | 62% | 0.621 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.6 | -33.4 | -177.6 | -154.5 | 167.9 | 9.2 | 0 | 0 | 113 | R3 Q4 I5 S10 | R3-Q7 PolarHBondContact O-N 3.21Å; Q4-Q7 PolarHBondContact O-N 3.13Å; I5-Q7 VanDerWaalsContact C-N 3.31Å; I5-Q7 PolarHBondContact O-N 2.87Å; Q7-S10 PolarHBondContact O-OG 3.04Å |
| 8 | K | 60.8 | Low | 58 | Low | 171 Ų | 171 | 139.1 Ų | 139.1 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.6 | -39.2 | 166.4 | -80.3 | -164.5 | 172.2 | -169.5 | 0 | 111.8 | Q4 I5 Q12 | Q4-K8 PolarHBondContact O-N 2.97Å; I5-K8 PolarHBondContact O-N 3.04Å; K8-Q12 PolarHBondContact O-N 2.61Å |
| 9 | R | 57.4 | Low | 57.7 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 59% | 0.585 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.5 | -33.5 | 179.9 | -77.6 | -177.7 | 169.9 | -171.8 | -5.1 | 113.9 | I5 S6 N13 | I5-R9 WeakPolarHBondContact O-CB 3.22Å; I5-R9 WeakPolarHBondContact O-CG 3.36Å; I5-R9 PolarHBondContact O-N 2.93Å; S6-R9 PolarHBondContact O-N 2.77Å; R9-N13 PolarHBondContact O-N 2.79Å |
| 10 | S | 59.1 | Low | 57.1 | Low | 61 Ų | 61 | 138.1 Ų | 138.1 | 43% | 0.427 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -63.7 | -46.1 | 174 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | S6 Q7 Q12 N13 L14 | S6-S10 PolarHBondContact O-N 2.83Å; Q7-S10 PolarHBondContact O-OG 3.04Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 2.85Å; S10-N13 PolarHBondContact O-N 2.97Å; S10-L14 PolarHBondContact O-N 3.05Å |
| 11 | N | 57.7 | Low | 56.5 | Low | 110 Ų | 110 | 140.5 Ų | 140.5 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67 | -34.6 | -177.4 | -66.3 | 7.6 | 0 | 0 | 0 | 112 | L14 R15 | N11-L14 PolarHBondContact O-N 3.23Å; N11-R15 PolarHBondContact O-N 3.02Å |
| 12 | Q | 59.4 | Low | 55.9 | Low | 120 Ų | 120 | 138.3 Ų | 138.3 | 56% | 0.561 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70 | -30.6 | 176.4 | -156.5 | 178.9 | 25.1 | 0 | 0 | 112.8 | K8 S10 R16 | K8-Q12 PolarHBondContact O-N 2.61Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 2.85Å; Q12-R16 WeakPolarHBondContact O-CG 3.32Å; Q12-R16 PolarHBondContact O-N 3.04Å |
| 13 | N | 52.6 | Low | 55.7 | Low | 110 Ų | 110 | 140.7 Ų | 140.7 | 59% | 0.588 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.2 | -40.6 | 171.2 | -88.9 | -19.1 | 0 | 0 | 0 | 112.2 | R9 S10 R15 R16 Q17 | R9-N13 PolarHBondContact O-N 2.79Å; S10-N13 PolarHBondContact O-N 2.97Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.2Å; N13-R16 PolarHBondContact O-N 2.98Å; N13-R16 VanDerWaalsContact O-N 3.11Å; N13-Q17 PolarHBondContact O-N 2.89Å; N13-Q17 VanDerWaalsContact O-N 3.11Å |
| 14 | L | 57.7 | Low | 54.9 | Low | 109 Ų | 109 | 137.1 Ų | 137.1 | 57% | 0.571 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -59.6 | -44.4 | 176.9 | -150.1 | 75.2 | 0 | 0 | 0 | 110.9 | S10 N11 R16 Q17 H18 | S10-L14 PolarHBondContact O-N 3.05Å; N11-L14 PolarHBondContact O-N 3.23Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 3.24Å; L14-Q17 PolarHBondContact O-N 2.91Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CD2 3.27Å; L14-H18 PolarHBondContact O-N 2.95Å |
| 15 | R | 56 | Low | 54 | Low | 214 Ų | 214 | 137.9 Ų | 137.9 | 81% | 0.808 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65 | -24.5 | 176.7 | -164.1 | 172.7 | -180 | -169.2 | -0.9 | 113.8 | N11 N13 | N11-R15 PolarHBondContact O-N 3.02Å; N13-R15 VanDerWaalsContact C-N 3.32Å; N13-R15 PolarHBondContact O-N 3.2Å |
| 16 | R | 55.9 | Low | 53 | Low | 172 Ų | 172 | 140.9 Ų | 140.9 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -78.8 | -31.2 | 172.2 | -73 | 179.4 | -173 | -101.1 | 4.2 | 112.9 | Q12 N13 L14 H18 S19 | Q12-R16 WeakPolarHBondContact O-CG 3.32Å; Q12-R16 PolarHBondContact O-N 3.04Å; N13-R16 PolarHBondContact O-N 2.98Å; N13-R16 VanDerWaalsContact O-N 3.11Å; L14-R16 VanDerWaalsContact C-N 3.26Å; L14-R16 PolarHBondContact O-N 3.24Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 3.02Å; R16-S19 PolarHBondContact O-N 3.01Å |
| 17 | Q | 55.7 | Low | 52 | Low | 159 Ų | 159 | 144 Ų | 144 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -67.5 | -29.5 | 176.3 | -70.3 | -70.4 | -65.3 | 0 | 0 | 112.9 | N13 L14 S19 | N13-Q17 PolarHBondContact O-N 2.89Å; N13-Q17 VanDerWaalsContact O-N 3.11Å; L14-Q17 PolarHBondContact O-N 2.91Å; L14-Q17 VanDerWaalsContact O-N 3.12Å; Q17-S19 VanDerWaalsContact C-N 3.35Å |
| 18 | H | 54.8 | Low | 51.2 | Low | 157 Ų | 157 | 141.5 Ų | 141.5 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 6.2 | 175.2 | -65.5 | -70.6 | 0 | 0 | 0 | 114.3 | L14 R16 | L14-H18 PolarHBondContact O-CD2 3.34Å; L14-H18 VanDerWaalsContact O-CD2 3.27Å; L14-H18 PolarHBondContact O-N 2.95Å; R16-H18 VanDerWaalsContact C-N 3.3Å; R16-H18 PolarHBondContact O-N 3.02Å |
| 19 | S | 53.4 | Low | 50 | Low | 95 Ų | 95 | 144.2 Ų | 144.2 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | trans | -106.7 | 32.5 | -173.9 | -168.7 | 0 | 0 | 0 | 0 | 113.4 | R16 Q17 | R16-S19 PolarHBondContact O-N 3.01Å; Q17-S19 VanDerWaalsContact C-N 3.35Å |
| 20 | M | 44.4 | Very low | 49.4 | Very low | 162 Ų | 162 | 143.8 Ų | 143.8 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -132.5 | 141.1 | 167.4 | -61.6 | -161 | -51.5 | 0 | 0 | 109.1 | | |
| 21 | K | 46 | Very low | 48.3 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | | | trans | 75.3 | 75.3 | -172.5 | -51.8 | 179.6 | 178.3 | -175.8 | 0 | 115.9 | | |
| 22 | T | 44.6 | Very low | 47.5 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 88% | 0.883 | 75% | 0.748 | S | S | * | * | | | trans | -151.5 | 68.5 | 138 | 36.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 23 | D | 48.3 | Very low | 46.1 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | | | trans | -88.1 | 121.3 | 168.1 | -53.5 | -51.2 | 0 | 0 | 0 | 107.2 | | |
| 24 | D | 42.3 | Very low | 45.4 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | 12.4 | 109.3 | 163 | -49.7 | -26.9 | 0 | 0 | 0 | 118.5 | | |
| 25 | L | 43.2 | Very low | 44.4 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | | | trans | -145.4 | 97.1 | 154 | -113.6 | 165.3 | 0 | 0 | 0 | 109 | N27 | L25-N27 PolarHBondContact O-N 2.82Š|
| 26 | D | 43.1 | Very low | 43.2 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | | | trans | -64 | 93.7 | 170.3 | -75.2 | -51.8 | 0 | 0 | 0 | 109.5 | A28 | D26-A28 PolarHBondContact O-N 3Š|
| 27 | N | 40.2 | Very low | 42.3 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -72.5 | 77 | 168.8 | -85.8 | -13.6 | 0 | 0 | 0 | 109.6 | L25 | L25-N27 PolarHBondContact O-N 2.82Š|
| 28 | A | 43.5 | Very low | 41.3 | Very low | 79 Ų | 79 | 144.9 Ų | 144.9 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | trans | -55.3 | 142.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | D26 I30 | D26-A28 PolarHBondContact O-N 3Å; A28-I30 PolarHBondContact O-N 3.39Å |
| 29 | Y | 35.5 | Very low | 40.4 | Very low | 228 Ų | 228 | 142.5 Ų | 142.5 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | | | trans | -71.6 | 95.3 | -172.3 | -158.4 | -89.1 | 0 | 0 | 0 | 110.7 | | |
| 30 | I | 43.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 144 Ų | 144 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | | | trans | -124.1 | 111.1 | 170.4 | -59.1 | -175.5 | 0 | 0 | 0 | 109.5 | A28 | A28-I30 PolarHBondContact O-N 3.39Š|
| 31 | E | 37.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -71.2 | 129.9 | 175 | -178.5 | 172.1 | -150.4 | 0 | 0 | 110.6 | | |
| 32 | S | 39.3 | Very low | 39.2 | Very low | 110 Ų | 110 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -151.6 | 72.2 | 174.1 | -64.9 | 0 | 0 | 0 | 0 | 110 | | |
| 33 | C | 31.3 | Very low | 39.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | -71.2 | 136.6 | 164.8 | -67.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 34 | D | 37.1 | Very low | 38.8 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | | | trans | -159.9 | 161.3 | 153.9 | -135.4 | -22.8 | 0 | 0 | 0 | 114 | | |
| 35 | F | 36.6 | Very low | 38.7 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | 56.9 | 88.3 | 170.3 | -65.3 | -68.4 | 0 | 0 | 0 | 119.2 | | |
| 36 | C | 32 | Very low | 38.6 | Very low | 113 Ų | 113 | 140 Ų | 140 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | | 148.6 | 103.1 | 92.9 | -91.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 37 | S | 36.2 | Very low | 38.5 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | trans | -159.3 | 102.5 | 150.5 | -87.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 38 | N | 34.6 | Very low | 38.5 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | 45 | 113.7 | 145.8 | -67.9 | -22.7 | 0 | 0 | 0 | 121.3 | | |
| 39 | S | 35.5 | Very low | 38.6 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | | 101.1 | 152.3 | 120.5 | 79.8 | 0 | 0 | 0 | 0 | 119.3 | | |
| 40 | V | 40.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 135 Ų | 135 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | trans | 72.4 | 129.1 | 168.7 | 179.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 41 | Q | 39.2 | Very low | 39.1 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 61% | 0.607 | 76% | 0.761 | S | S | * | * | | | cis | -175.9 | 153.1 | -11.9 | 173.7 | 168.2 | 64.5 | 0 | 0 | 111.1 | | |
| 42 | R | 40.3 | Very low | 39.3 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 68% | 0.683 | 76% | 0.762 | S | S | * | * | | | trans | 71.1 | 124.1 | 164.5 | -82.3 | 176.4 | -96.4 | -122.2 | 5 | 117.1 | | |
| 43 | Q | 43.9 | Very low | 39.4 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | | 70.5 | 143.7 | 94.7 | -65 | -177.9 | -46.5 | 0 | 0 | 114.4 | | |
| 44 | H | 40 | Very low | 39.9 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | cis | -166.2 | -176 | -10.5 | -111 | -46.4 | 0 | 0 | 0 | 108.4 | | |
| 45 | T | 40.3 | Very low | 40.1 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | 64.6 | 132.2 | 168.2 | 58 | 0 | 0 | 0 | 0 | 117.5 | | |
| 46 | T | 40.5 | Very low | 40.1 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | cis | 90.4 | 103.3 | 28.6 | 68.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 47 | S | 41.2 | Very low | 40.7 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -171.1 | 166.6 | 145.6 | 47.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 48 | N | 39.5 | Very low | 40.9 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | | | trans | -116.5 | 168.5 | -168.8 | -91.8 | -27.3 | 0 | 0 | 0 | 113.4 | | |
| 49 | P | 46.5 | Very low | 41 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | trans | -106.1 | 170 | -168.3 | 40.9 | -36.6 | 0 | 0 | 0 | 115.9 | | |
| 50 | P | 48 | Very low | 41.3 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | | | trans | -90 | 148.1 | 153.3 | 36.3 | -30.4 | 0 | 0 | 0 | 110.9 | | |
| 51 | N | 41.1 | Very low | 41.2 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 84% | 0.84 | 74% | 0.743 | S | S | * | * | | | cis | 83.5 | 77.9 | 12.2 | -161.8 | 47.7 | 0 | 0 | 0 | 118 | | |
| 52 | E | 41.8 | Very low | 41.4 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -160.4 | 141.4 | 162.6 | -93 | -175.5 | -147.7 | 0 | 0 | 106.8 | | |
| 53 | M | 41.5 | Very low | 41.1 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 64% | 0.64 | 75% | 0.753 | S | S | * | * | | | cis | -150.3 | 150.2 | -11 | -86.2 | -171.6 | -77.7 | 0 | 0 | 109.5 | | |
| 54 | Q | 42.4 | Very low | 40.9 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 47.6 | 152.6 | 137.4 | -62 | 152.4 | 20.7 | 0 | 0 | 122.3 | | |
| 55 | S | 41.3 | Very low | 41 | Very low | 93 Ų | 93 | 146.6 Ų | 146.6 | 65% | 0.65 | 76% | 0.755 | S | S | * | * | | | cis | -174.1 | 132.3 | -26.5 | 53.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 56 | Y | 35.5 | Very low | 40.8 | Very low | 223 Ų | 223 | 148 Ų | 148 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | | | trans | 38.6 | 157.3 | 136.8 | -80 | -89.3 | 0 | 0 | 0 | 124.7 | | |
| 57 | L | 45.1 | Very low | 40.9 | Very low | 143 Ų | 143 | 150 Ų | 150 | 75% | 0.749 | 76% | 0.759 | S | S | * | * | | | trans | 70.6 | 147.8 | 175 | -80.6 | 66.5 | 0 | 0 | 0 | 115.1 | | |
| 58 | D | 40.4 | Very low | 40.7 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | cis | -128.3 | 143.8 | -8.5 | -87.9 | -51.6 | 0 | 0 | 0 | 108.5 | | |
| 59 | Y | 37.4 | Very low | 40.7 | Very low | 213 Ų | 213 | 151.9 Ų | 151.9 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | | 59.1 | 135.7 | 70.9 | -93.7 | -74.5 | 0 | 0 | 0 | 116.8 | | |
| 60 | S | 40.7 | Very low | 40.4 | Very low | 106 Ų | 106 | 150.5 Ų | 150.5 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | 75.6 | 156.2 | 163.1 | -75.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 61 | T | 38.6 | Very low | 40.1 | Very low | 98 Ų | 98 | 155 Ų | 155 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | | | cis | 174.7 | 135.7 | -33.1 | -98.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 62 | K | 42.7 | Very low | 40 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | | | trans | 65.5 | 128.9 | 163 | -73.1 | 158.8 | -157.7 | 160.8 | 0 | 120.8 | | |
| 63 | R | 35.2 | Very low | 39.8 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | trans | 61 | 120.1 | 131.5 | -60.3 | 171 | -178.3 | -172.1 | -1.9 | 121 | | |
| 64 | Y | 39.5 | Very low | 39.9 | Very low | 229 Ų | 229 | 149.2 Ų | 149.2 | 90% | 0.898 | 75% | 0.752 | S | S | * | * | | | | -165.4 | 114.8 | 126.2 | -92.6 | -75.9 | 0 | 0 | 0 | 105 | | |
| 65 | T | 41.7 | Very low | 39.8 | Very low | 90 Ų | 90 | 144.5 Ų | 144.5 | 55% | 0.552 | 75% | 0.748 | S | S | * | * | | | cis | 80.8 | 108.6 | 39.2 | 73.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 66 | N | 36.1 | Very low | 39.9 | Very low | 152 Ų | 152 | 149.8 Ų | 149.8 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | 67.3 | 152.7 | 163.9 | -49.6 | -23.6 | 0 | 0 | 0 | 115.1 | | |
| 67 | Q | 43.3 | Very low | 40 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | cis | -136.3 | 139.6 | 18.6 | -58.4 | 160.3 | 39.1 | 0 | 0 | 108.4 | | |
| 68 | M | 36.4 | Very low | 39.9 | Very low | 173 Ų | 173 | 144.3 Ų | 144.3 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | | | | 50 | 99.1 | 72.7 | -104.3 | -173.9 | 171.5 | 0 | 0 | 115.1 | | |
| 69 | N | 38.7 | Very low | 39.7 | Very low | 150 Ų | 150 | 143.4 Ų | 143.4 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | | -177.4 | 164.5 | 120.3 | -90.3 | -38 | 0 | 0 | 0 | 112.1 | | |
| 70 | T | 40.2 | Very low | 40.2 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 48% | 0.479 | 76% | 0.758 | S | S | . | * | | | | -163.9 | 165.5 | -52.4 | -73.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 71 | Y | 42.9 | Very low | 40.2 | Very low | 213 Ų | 213 | 142 Ų | 142 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | | | trans | 73.6 | 152.2 | 171.6 | -44.7 | -72.2 | 0 | 0 | 0 | 116.5 | | |
| 72 | S | 38.8 | Very low | 40.4 | Very low | 101 Ų | 101 | 143.8 Ų | 143.8 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | -164 | 137 | -25.5 | -90.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 73 | S | 37.4 | Very low | 40.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 83 | 120.5 | 50.9 | -166.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 74 | S | 43.3 | Very low | 40.6 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | | | trans | 92.8 | 148.2 | 156.5 | 82.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 75 | G | 40.5 | Very low | 40.7 | Very low | 68 Ų | 68 | 136 Ų | 136 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | 113.9 | 93.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 76 | K | 43.4 | Very low | 40.6 | Very low | 204 Ų | 204 | 139.9 Ų | 139.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | | 58.3 | 129.1 | 60.6 | -57.3 | -178.1 | 178.4 | 178.9 | 0 | 112.4 | | |
| 77 | S | 38.3 | Very low | 40.9 | Very low | 102 Ų | 102 | 139.7 Ų | 139.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | cis | 151.9 | 144.3 | -3.5 | 47.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 78 | V | 42.7 | Very low | 41 | Very low | 150 Ų | 150 | 136 Ų | 136 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | | | trans | 177.7 | 162.1 | 150.2 | 140.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 79 | S | 36.8 | Very low | 41.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | -94.9 | 167.2 | -158.5 | -61.8 | 0 | 0 | 0 | 0 | 117.7 | | |
| 80 | P | 47.4 | Very low | 41.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | trans | -97.5 | 167.1 | -178.3 | 38.9 | -37.2 | 0 | 0 | 0 | 115.7 | | |
| 81 | H | 39.6 | Very low | 41.3 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | -146 | 154.6 | 172 | -86.6 | 19.4 | 0 | 0 | 0 | 108.3 | | |
| 82 | L | 44 | Very low | 41.1 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | | | cis | -160.6 | 172 | -9.2 | -114.5 | 174.3 | 0 | 0 | 0 | 110.2 | | |
| 83 | L | 41.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 130.7 Ų | 130.7 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | 58 | 111.5 | 158.1 | -77.3 | 161 | 0 | 0 | 0 | 121.5 | | |
| 84 | N | 39.4 | Very low | 41.2 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -79.9 | -172.2 | 154.7 | -83.6 | -38.1 | 0 | 0 | 0 | 111.7 | | |
| 85 | V | 41.2 | Very low | 41 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 97.5 | 85.7 | 154.6 | -168 | 0 | 0 | 0 | 0 | 116.4 | | |
| 86 | L | 40.9 | Very low | 41 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | | | | -163.7 | 153.4 | 106.6 | -99.3 | 168.6 | 0 | 0 | 0 | 111.2 | | |
| 87 | N | 41.6 | Very low | 40.9 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -130.7 | -179.5 | -172.1 | -138.6 | 0.8 | 0 | 0 | 0 | 106.9 | | |
| 88 | P | 46.5 | Very low | 41 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 62% | 0.617 | 79% | 0.787 | S | S | * | * | | | cis | -141.3 | -169 | -7.5 | 42 | -22.9 | 0 | 0 | 0 | 115.5 | | |
| 89 | S | 38.3 | Very low | 40.9 | Very low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | 86.7 | 152.8 | 142.6 | -74 | 0 | 0 | 0 | 0 | 120.7 | | |
| 90 | P | 42.7 | Very low | 40.9 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | trans | -129.2 | 168.4 | -139.7 | 42 | -27.2 | 0 | 0 | 0 | 116.3 | | |
| 91 | S | 39.2 | Very low | 40.9 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | -137.6 | 133.2 | 152 | -176.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 92 | A | 39.8 | Very low | 40.8 | Very low | 101 Ų | 101 | 131.2 Ų | 131.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -99.6 | 96.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 93 | H | 42.3 | Very low | 40.9 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | trans | -113.7 | 134.3 | 163.2 | -70.2 | -62.6 | 0 | 0 | 0 | 110.5 | S95 | H93-S95 PolarHBondContact O-N 2.81Å; H93-S95 VanDerWaalsContact O-N 3.13Å |
| 94 | S | 34.9 | Very low | 41.1 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -67.9 | 105.3 | -170.1 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | L96 | S94-L96 PolarHBondContact O-N 2.96Š|
| 95 | S | 39.2 | Very low | 41.3 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | -72.9 | 92.1 | 165.3 | 49 | 0 | 0 | 0 | 0 | 109.8 | H93 V97 | H93-S95 PolarHBondContact O-N 2.81Å; H93-S95 VanDerWaalsContact O-N 3.13Å; S95-V97 PolarHBondContact O-N 2.86Å |
| 96 | L | 41.3 | Very low | 41.5 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | trans | -59.6 | 123.1 | 167.6 | -80.1 | 171.1 | 0 | 0 | 0 | 108.8 | S94 A98 | S94-L96 PolarHBondContact O-N 2.96Å; L96-A98 PolarHBondContact O-N 3.04Å |
| 97 | V | 41.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -62.7 | 111 | -179.1 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | S95 V99 | S95-V97 PolarHBondContact O-N 2.86Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.38Å; V97-V99 PolarHBondContact O-N 2.83Å |
| 98 | A | 41 | Very low | 41.9 | Very low | 95 Ų | 95 | 128.1 Ų | 128.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -70.8 | 86 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L96 S100 | L96-A98 PolarHBondContact O-N 3.04Å; A98-S100 PolarHBondContact O-N 2.84Å |
| 99 | V | 40.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | | | trans | -69.1 | 85.3 | 168.5 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | V97 R101 | V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.38Å; V97-V99 PolarHBondContact O-N 2.83Å; V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 HydrophobicContact CG1-CG 4.4Å; V99-R101 PolarHBondContact O-N 2.91Å |
| 100 | S | 35.8 | Very low | 41.7 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -65.7 | 89 | 179.4 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | A98 V102 | A98-S100 PolarHBondContact O-N 2.84Å; S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.04Å |
| 101 | R | 47.1 | Very low | 41.5 | Very low | 224 Ų | 224 | 134.1 Ų | 134.1 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | -72.9 | 93.4 | 170.5 | -70.7 | -173.7 | 178.8 | 176.4 | 0.7 | 107.9 | V99 S103 | V99-R101 VanDerWaalsContact C-N 3.32Å; V99-R101 HydrophobicContact CG1-CG 4.4Å; V99-R101 PolarHBondContact O-N 2.91Å; R101-S103 PolarHBondContact O-N 2.7Å |
| 102 | V | 38.2 | Very low | 41.5 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 70% | 0.703 | 75% | 0.747 | S | S | * | * | | | trans | -62.3 | 87.6 | 167.3 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | S100 Q104 | S100-V102 VanDerWaalsContact C-N 3.34Å; S100-V102 PolarHBondContact O-N 3.04Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.31Å |
| 103 | S | 46.6 | Very low | 41.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -65.1 | 93.2 | 166.6 | 171.8 | 0 | 0 | 0 | 0 | 107.2 | R101 Q105 | R101-S103 PolarHBondContact O-N 2.7Å; S103-Q105 PolarHBondContact O-N 2.93Å |
| 104 | Q | 44.4 | Very low | 41.2 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | | | trans | -54.1 | 105.5 | 168.5 | -68.8 | -179.2 | -3.8 | 0 | 0 | 107.8 | V102 | V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 3.31Å |
| 105 | Q | 44.5 | Very low | 41.4 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | trans | -65.6 | 137.2 | 162.5 | -68.6 | -171.5 | -37.3 | 0 | 0 | 106.6 | S103 S107 | S103-Q105 PolarHBondContact O-N 2.93Å; Q105-S107 PolarHBondContact O-N 2.91Å |
| 106 | P | 46.1 | Very low | 41.2 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | | | trans | -61.2 | 111.5 | 156.2 | 27.5 | -30.3 | 0 | 0 | 0 | 106.2 | F108 | P106-F108 PolarHBondContact O-N 2.8Š|
| 107 | S | 43.1 | Very low | 41.1 | Very low | 78 Ų | 78 | 128 Ų | 128 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | | | trans | -54.4 | 125.4 | 157 | 37.8 | 0 | 0 | 0 | 0 | 106.2 | Q105 E109 | Q105-S107 PolarHBondContact O-N 2.91Å; S107-E109 WeakPolarHBondContact CB-OE1 3.3Å; S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 PolarHBondContact OG-OE1 3.02Å |
| 108 | F | 46.5 | Very low | 40.8 | Very low | 199 Ų | 199 | 127.6 Ų | 127.6 | 87% | 0.873 | 72% | 0.719 | S | S | * | * | | | trans | -77 | 90.9 | 163.4 | -85.6 | -89.8 | 0 | 0 | 0 | 105.9 | P106 S110 | P106-F108 PolarHBondContact O-N 2.8Å; F108-S110 PolarHBondContact O-N 3.5Å |
| 109 | E | 39.9 | Very low | 40.4 | Very low | 132 Ų | 132 | 128 Ų | 128 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | | | trans | -47 | 127.1 | 164.3 | -83.8 | 67.4 | -121.5 | 0 | 0 | 108.5 | S107 Y111 | S107-E109 WeakPolarHBondContact CB-OE1 3.3Å; S107-E109 PolarHBondContact O-N 3.31Å; S107-E109 PolarHBondContact OG-OE1 3.02Å; E109-Y111 PolarHBondContact O-N 3.26Å |
| 110 | S | 40.8 | Very low | 40.3 | Very low | 110 Ų | 110 | 134.5 Ų | 134.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | | | trans | -62.4 | 109.7 | 178.5 | 49.8 | 0 | 0 | 0 | 0 | 109.4 | F108 D112 | F108-S110 PolarHBondContact O-N 3.5Å; S110-D112 PolarHBondContact O-N 3.1Å |
| 111 | Y | 39.5 | Very low | 40.1 | Very low | 214 Ų | 214 | 136.5 Ų | 136.5 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 76.2 | 163.4 | -91.9 | -95.2 | 0 | 0 | 0 | 109.4 | E109 S113 | E109-Y111 PolarHBondContact O-N 3.26Å; Y111-S113 PolarHBondContact O-N 3.32Å |
| 112 | D | 39.1 | Very low | 39.5 | Very low | 94 Ų | 94 | 129.9 Ų | 129.9 | 50% | 0.503 | 73% | 0.725 | S | S | . | * | | | trans | -65.4 | 107.2 | 151.4 | -179.6 | 12 | 0 | 0 | 0 | 106.6 | S110 L404 | S110-D112 PolarHBondContact O-N 3.1Å; D112-L404 WeakPolarHBondContact OD2-CD2 3.34Å |
| 113 | S | 39.7 | Very low | 39.2 | Very low | 77 Ų | 77 | 129 Ų | 129 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | | | trans | -148 | 80.6 | -178.5 | -72.1 | 0 | 0 | 0 | 0 | 108.1 | Y111 M115 | Y111-S113 PolarHBondContact O-N 3.32Å; S113-M115 PolarHBondContact O-N 3.23Å |
| 114 | S | 36.4 | Very low | 38.6 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | trans | -66.5 | 65.5 | 173.7 | 28.2 | 0 | 0 | 0 | 0 | 111.6 | S116 | S114-S116 PolarHBondContact O-N 3.44Š|
| 115 | M | 38.2 | Very low | 38.2 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | | | trans | -90.8 | 83.7 | 168.9 | -76.6 | -167 | 68.8 | 0 | 0 | 110.7 | S113 A117 | S113-M115 PolarHBondContact O-N 3.23Å; M115-A117 VanDerWaalsContact C-N 3.27Å; M115-A117 PolarHBondContact O-N 3.15Å |
| 116 | S | 35.5 | Very low | 37.8 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | | | trans | -68.2 | 84.3 | 165.6 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | S114 | S114-S116 PolarHBondContact O-N 3.44Š|
| 117 | A | 38.2 | Very low | 37.3 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | -116.4 | 89.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | M115 | M115-A117 VanDerWaalsContact C-N 3.27Å; M115-A117 PolarHBondContact O-N 3.15Å |
| 118 | T | 36.2 | Very low | 36.9 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | trans | -52.1 | 156.1 | 167.9 | 40.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 119 | S | 31.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | | | trans | 68 | 74.2 | 150.2 | -54.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 120 | W | 38.2 | Very low | 35.9 | Very low | 246 Ų | 246 | 131 Ų | 131 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | | | trans | -129.2 | 61.5 | 154.4 | -78.5 | 87.2 | 0 | 0 | 0 | 112.4 | | |
| 121 | T | 31.2 | Very low | 35.6 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | | | trans | -92.4 | 89.3 | 164.3 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 122 | S | 35.2 | Very low | 35.3 | Very low | 85 Ų | 85 | 128.6 Ų | 128.6 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | | | trans | -147.9 | 104.4 | 168.6 | -162.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 123 | S | 32.9 | Very low | 35.1 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | | 57.9 | 99.5 | 93.3 | -161.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 124 | N | 34 | Very low | 34.7 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | | | trans | -130.5 | 50.8 | 165.4 | -91 | -80.7 | 0 | 0 | 0 | 109 | P126 | N124-P126 WeakPolarHBondContact O-CD 3.41Š|
| 125 | D | 34.6 | Very low | 34.6 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | -79.4 | 117.5 | 152.1 | -94.6 | -38 | 0 | 0 | 0 | 107.4 | | |
| 126 | P | 37.2 | Very low | 34.5 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | trans | -83.5 | 164.2 | 170.7 | 35.3 | -34.2 | 0 | 0 | 0 | 111.3 | N124 | N124-P126 WeakPolarHBondContact O-CD 3.41Š|
| 127 | D | 35.2 | Very low | 34.3 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 76.7 | 123.2 | 174.3 | -50.8 | -28.8 | 0 | 0 | 0 | 115.7 | | |
| 128 | L | 34.5 | Very low | 34.1 | Very low | 171 Ų | 171 | 144.5 Ų | 144.5 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | trans | 64.2 | 121.1 | -174.2 | -50.3 | 109 | 0 | 0 | 0 | 113.6 | | |
| 129 | I | 32.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 146.1 Ų | 146.1 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | cis | -132 | 156.3 | 28.5 | -69.9 | 169.6 | 0 | 0 | 0 | 111.3 | | |
| 130 | T | 32.6 | Very low | 34.2 | Very low | 111 Ų | 111 | 152.9 Ų | 152.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | trans | -76.3 | 163 | 178.8 | 42.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 131 | N | 33.8 | Very low | 34 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | 84.9 | 110 | 165.5 | -52.8 | -29.7 | 0 | 0 | 0 | 118.4 | | |
| 132 | N | 33.4 | Very low | 34.3 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 66.7 | 140.4 | 126.9 | -55.1 | -19.1 | 0 | 0 | 0 | 119.7 | | |
| 133 | L | 35.5 | Very low | 34 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | cis | -147.7 | -166 | 1.2 | -148.6 | 68.3 | 0 | 0 | 0 | 111.3 | | |
| 134 | R | 30.8 | Very low | 34.3 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | | | trans | -96.3 | -178.3 | -168.9 | -58.3 | 175.2 | 179.2 | -177.6 | -0.4 | 113.8 | | |
| 135 | Y | 34.8 | Very low | 34.4 | Very low | 177 Ų | 177 | 147.8 Ų | 147.8 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | 83.3 | 105.5 | 164.2 | -56.4 | -66 | 0 | 0 | 0 | 114.4 | | |
| 136 | T | 35.1 | Very low | 34.5 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 85.7 | 127 | 62.7 | 59.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 137 | N | 32.1 | Very low | 34.3 | Very low | 157 Ų | 157 | 152.4 Ų | 152.4 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | | | trans | -27 | 139.9 | 173.3 | -39.8 | -25.5 | 0 | 0 | 0 | 116.7 | | |
| 138 | D | 34.5 | Very low | 34.2 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | | -159.4 | 171.9 | 106.8 | -133.9 | -34.4 | 0 | 0 | 0 | 112.9 | | |
| 139 | L | 35.1 | Very low | 34.2 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -136.4 | 107.6 | -178.7 | -83.3 | 169.5 | 0 | 0 | 0 | 112.7 | | |
| 140 | R | 34.1 | Very low | 34.2 | Very low | 247 Ų | 247 | 152 Ų | 152 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | | | trans | 171.5 | 169.8 | 147.8 | -95.8 | 149.5 | -173.9 | 173 | 1.3 | 112.6 | | |
| 141 | S | 34.9 | Very low | 34.4 | Very low | 112 Ų | 112 | 154.1 Ų | 154.1 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | | | trans | 65.5 | 126.1 | -168 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 142 | L | 36.9 | Very low | 34.3 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | cis | 71.7 | 91 | 26 | -61.8 | 159.9 | 0 | 0 | 0 | 115.4 | | |
| 143 | S | 29 | Very low | 34.4 | Very low | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | | 42.9 | 166.8 | 115.7 | -78.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 144 | P | 40.4 | Very low | 34.2 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | cis | -136.3 | 171.9 | -25.6 | 37.1 | -21.2 | 0 | 0 | 0 | 113.6 | | |
| 145 | N | 35.2 | Very low | 34.4 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | 166.1 | 162.1 | 147.6 | -93 | -26.9 | 0 | 0 | 0 | 110.8 | | |
| 146 | Q | 37 | Very low | 34.2 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | | | cis | -168.9 | 139.3 | -36.1 | -153 | -173.4 | 108 | 0 | 0 | 108.4 | | |
| 147 | Q | 32.9 | Very low | 34.2 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | | | trans | -168.4 | 121.4 | 142.3 | -113.1 | 174.5 | 13.9 | 0 | 0 | 110.9 | | |
| 148 | F | 33 | Very low | 33.9 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | | | trans | -105.9 | 149.5 | 169.2 | -90.3 | -98.7 | 0 | 0 | 0 | 109.4 | | |
| 149 | T | 35.2 | Very low | 34.1 | Very low | 138 Ų | 138 | 146 Ų | 146 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -94.9 | 136.9 | 157.6 | 38.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 150 | N | 32.6 | Very low | 34 | Very low | 146 Ų | 146 | 143.2 Ų | 143.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -65 | 163.3 | -176.2 | -56.5 | -72 | 0 | 0 | 0 | 111.4 | | |
| 151 | I | 35.2 | Very low | 33.9 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | | -161.3 | 126.7 | 70.3 | -85.9 | 171.3 | 0 | 0 | 0 | 111.2 | | |
| 152 | T | 33.3 | Very low | 34 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | | | | 35 | 133.5 | 129.7 | -14.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 153 | T | 34.9 | Very low | 33.9 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | cis | -159.3 | 159.5 | 41.3 | -45.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 154 | N | 32.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 143.2 Ų | 143.2 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -62 | 176.5 | -177.9 | -48.3 | -62.9 | 0 | 0 | 0 | 118.1 | | |
| 155 | R | 33.2 | Very low | 34.2 | Very low | 241 Ų | 241 | 144.5 Ų | 144.5 | 91% | 0.909 | 76% | 0.757 | S | S | * | * | | | trans | 88.2 | 141.5 | 167.7 | -64.6 | -173.2 | 169 | -163.3 | -4 | 116.2 | | |
| 156 | S | 30.9 | Very low | 34.4 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | | | cis | 145.1 | 163 | -20.4 | 61.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 157 | T | 35.9 | Very low | 34.4 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | | | trans | 73.2 | 116.3 | 163.6 | 13 | 0 | 0 | 0 | 0 | 118.8 | | |
| 158 | S | 25.9 | Very low | 34.7 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -76.4 | -172.1 | 155 | -24.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 159 | P | 38 | Very low | 34.8 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | | | cis | -136.5 | -150.4 | -12.9 | 39.6 | -18.3 | 0 | 0 | 0 | 113 | | |
| 160 | S | 33.4 | Very low | 35 | Very low | 96 Ų | 96 | 136.3 Ų | 136.3 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | trans | 84.5 | 113 | 151.3 | 74.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 161 | I | 33 | Very low | 35.2 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | | | | 41.6 | 112.6 | 120 | -51.1 | 163.4 | 0 | 0 | 0 | 119.8 | | |
| 162 | Q | 36.6 | Very low | 35.3 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | | | | -167.3 | 127.4 | 119.4 | -100 | 174.2 | 4.5 | 0 | 0 | 107.2 | | |
| 163 | E | 34.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 63% | 0.626 | 73% | 0.728 | S | S | * | * | | | cis | 91 | 136.1 | 45.1 | -159.5 | -160.6 | -107.7 | 0 | 0 | 112.9 | | |
| 164 | R | 38.4 | Very low | 35.8 | Very low | 183 Ų | 183 | 134.9 Ų | 134.9 | 69% | 0.691 | 73% | 0.725 | S | S | * | * | | | trans | 82.6 | 147.7 | 170.6 | -51.4 | -178.7 | -162.3 | 147.6 | 20.2 | 117.9 | | |
| 165 | N | 36.4 | Very low | 36 | Very low | 132 Ų | 132 | 133.6 Ų | 133.6 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | cis | -171 | 171.9 | -34.5 | -107.1 | -12.5 | 0 | 0 | 0 | 109 | | |
| 166 | N | 39.1 | Very low | 36.1 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | | | trans | 75 | 150.4 | 155.3 | -67 | -18.9 | 0 | 0 | 0 | 120.1 | | |
| 167 | V | 38.3 | Very low | 36.4 | Very low | 109 Ų | 109 | 131.1 Ų | 131.1 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | | | cis | -170.7 | 162.1 | -31.5 | 83.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 168 | K | 38 | Very low | 36.5 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | | | trans | 68.5 | 150.3 | 165.2 | -78.2 | 169.1 | -177 | 174.9 | 0 | 116.9 | | |
| 169 | S | 35.9 | Very low | 37.3 | Very low | 88 Ų | 88 | 132.1 Ų | 132.1 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | | | cis | -171.6 | 154.2 | -17.4 | -117.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 170 | T | 40 | Very low | 37.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.693 | 72% | 0.719 | S | S | * | * | | | trans | 59.9 | 157.5 | 144.3 | 59.3 | 0 | 0 | 0 | 0 | 121 | | |
| 171 | N | 36.2 | Very low | 37.4 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 68% | 0.679 | 73% | 0.727 | S | S | * | * | | | cis | -169.5 | 141.9 | -23.1 | -101.3 | -4.9 | 0 | 0 | 0 | 109.1 | | |
| 172 | N | 37 | Very low | 37.6 | Very low | 142 Ų | 142 | 139 Ų | 139 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | trans | 60.3 | 169.9 | 149.5 | -53.7 | -18.2 | 0 | 0 | 0 | 117.3 | | |
| 173 | S | 36.9 | Very low | 37.6 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | | | cis | -155.1 | 148.6 | 15.6 | 83.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 174 | I | 42.1 | Very low | 37.9 | Very low | 136 Ų | 136 | 140.6 Ų | 140.6 | 70% | 0.697 | 73% | 0.732 | S | S | * | * | | | | 60.2 | 129.5 | 98.1 | -63.2 | 174.1 | 0 | 0 | 0 | 113.4 | | |
| 175 | N | 37.4 | Very low | 37.7 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 60% | 0.604 | 73% | 0.729 | S | S | * | * | | | cis | -165.7 | -174 | 0.2 | -110.1 | -0.2 | 0 | 0 | 0 | 108.6 | | |
| 176 | Y | 34.8 | Very low | 37.8 | Very low | 210 Ų | 210 | 137 Ų | 137 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | cis | -164.4 | 145.4 | 0.4 | -121.5 | -19.9 | 0 | 0 | 0 | 110.9 | | |
| 177 | G | 37.4 | Very low | 37.7 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | trans | 62.5 | 177.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 178 | N | 38.1 | Very low | 37.3 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 73% | 0.726 | S | S | * | * | | | cis | -158.8 | 165.4 | -25.1 | -124.3 | 6.2 | 0 | 0 | 0 | 110.9 | | |
| 179 | P | 41.3 | Very low | 37.3 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 72% | 0.724 | S | S | * | * | | | trans | -120.5 | -174.3 | -163.8 | 41.4 | -30.8 | 0 | 0 | 0 | 116.7 | | |
| 180 | K | 34.9 | Very low | 37.1 | Very low | 196 Ų | 196 | 139.2 Ų | 139.2 | 85% | 0.852 | 73% | 0.727 | S | S | * | * | | | trans | 102.5 | 165.6 | 164.1 | -61.3 | 177.4 | 179.1 | -179.9 | 0 | 117.6 | | |
| 181 | Q | 39.7 | Very low | 36.6 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | 90.8 | 133.7 | -177.9 | -58.2 | -167.4 | -31.6 | 0 | 0 | 116.5 | | |
| 182 | D | 37.6 | Very low | 36.4 | Very low | 134 Ų | 134 | 138.5 Ų | 138.5 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | cis | -157.2 | 169.3 | -23.1 | -119 | -27.3 | 0 | 0 | 0 | 114.1 | | |
| 183 | L | 36.8 | Very low | 36.1 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 73% | 0.733 | S | S | * | * | | | trans | -81.8 | 147.6 | -172.7 | -66.9 | 97 | 0 | 0 | 0 | 116.5 | I185 | L183-I185 HydrophobicContact CD2-CD1 3.99Š|
| 184 | K | 40.4 | Very low | 36.1 | Very low | 201 Ų | 201 | 141.3 Ų | 141.3 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | | | trans | -179.4 | 124.6 | 139.3 | -95.6 | 148.3 | -174.6 | 176.3 | 0 | 107.9 | | |
| 185 | I | 34 | Very low | 35.5 | Very low | 123 Ų | 123 | 140 Ų | 140 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | | | cis | 75.6 | 138 | 35.4 | -48.7 | 178 | 0 | 0 | 0 | 113 | L183 | L183-I185 HydrophobicContact CD2-CD1 3.99Š|
| 186 | T | 38.7 | Very low | 35.5 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | | | trans | 83.3 | 146.9 | 179.3 | 74.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 187 | N | 35.6 | Very low | 35.2 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | cis | -164.2 | 149.5 | -22.5 | -106.8 | -6.5 | 0 | 0 | 0 | 112.3 | | |
| 188 | E | 31.1 | Very low | 35.1 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | | | trans | 62.8 | -179.9 | 144.9 | -71.4 | -102.4 | 165.9 | 0 | 0 | 120.9 | K190 | E188-K190 IonicContact OE1-NZ 3.99Å; E188-K190 IonicContact OE2-NZ 3.71Å; E188-K190 PolarHBondContact OE2-NZ 2.95Å |
| 189 | L | 38 | Very low | 34.8 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | 67.5 | 89 | 173.8 | -48.7 | -174.8 | 0 | 0 | 0 | 116 | | |
| 190 | K | 31.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 150.3 Ų | 150.3 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | | 65.9 | 120 | 59 | -58 | 171.7 | 175.3 | 145.9 | 0 | 115.3 | E188 | E188-K190 IonicContact OE1-NZ 3.99Å; E188-K190 IonicContact OE2-NZ 3.71Å; E188-K190 PolarHBondContact OE2-NZ 2.95Å |
| 191 | S | 29.3 | Very low | 34.3 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 55 | 91.3 | 148.3 | 57.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 192 | S | 32 | Very low | 33.9 | Very low | 111 Ų | 111 | 147.4 Ų | 147.4 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | -170.5 | 147.1 | 151.2 | -92.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 193 | L | 31.9 | Very low | 33.8 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 69% | 0.686 | 76% | 0.759 | S | S | * | * | | | cis | -162.6 | 159.1 | -16.5 | -153 | 59.3 | 0 | 0 | 0 | 110.3 | | |
| 194 | K | 36.1 | Very low | 33.5 | Very low | 165 Ų | 165 | 148.3 Ų | 148.3 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | 49.9 | 95.8 | 157.6 | -75.1 | 153.6 | -169.8 | 175 | 0 | 119.7 | | |
| 195 | S | 28.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | | 18.2 | 122.2 | 119.5 | 60.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 196 | I | 37.1 | Very low | 33.3 | Very low | 148 Ų | 148 | 150.4 Ų | 150.4 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -122.7 | 120.8 | 146.5 | -64.5 | 179.9 | 0 | 0 | 0 | 108.2 | T198 | I196-T198 HydrophobicContact CG2-CG2 3.93Š|
| 197 | K | 30.1 | Very low | 33.3 | Very low | 214 Ų | 214 | 154.4 Ų | 154.4 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | | | trans | -90.6 | 111.9 | 161.7 | -80.2 | -179.2 | 176.3 | 176.4 | 0 | 107.4 | | |
| 198 | T | 34.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 154.9 Ų | 154.9 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -116.4 | 125.7 | 163.9 | 30.2 | 0 | 0 | 0 | 0 | 109.7 | I196 | I196-T198 HydrophobicContact CG2-CG2 3.93Š|
| 199 | K | 31.9 | Very low | 33.6 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -100.6 | 83 | -177.8 | 177.2 | -166.5 | 176.8 | -171.1 | 0 | 106.7 | | |
| 200 | E | 34.5 | Very low | 33.4 | Very low | 192 Ų | 192 | 153.5 Ų | 153.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | trans | -88.2 | 123.7 | -172.1 | -154.2 | 160.4 | -139 | 0 | 0 | 111.6 | | |
| 201 | T | 31.7 | Very low | 33.7 | Very low | 111 Ų | 111 | 156.1 Ų | 156.1 | 68% | 0.681 | 80% | 0.798 | S | S | * | * | | | trans | -94.3 | 153 | -173.6 | -58 | 0 | 0 | 0 | 0 | 110.4 | Q203 | T201-Q203 PolarHBondContact O-N 3.39Š|
| 202 | F | 30.9 | Very low | 34.1 | Very low | 202 Ų | 202 | 162.7 Ų | 162.7 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | | | trans | -37.7 | 128.5 | 166.6 | -65.7 | -102.6 | 0 | 0 | 0 | 113.8 | | |
| 203 | Q | 34.2 | Very low | 34 | Very low | 158 Ų | 158 | 162.4 Ų | 162.4 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | | | trans | -159.5 | 113.5 | 133.2 | -81.3 | -145.2 | 0.2 | 0 | 0 | 111.2 | T201 K205 | T201-Q203 PolarHBondContact O-N 3.39Å; Q203-K205 PolarHBondContact O-N 3.31Å; Q203-K205 VanDerWaalsContact O-N 3.15Å |
| 204 | S | 31.3 | Very low | 34.4 | Very low | 126 Ų | 126 | 163.8 Ų | 163.8 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | | | trans | -82.6 | 82.1 | 175.4 | 41.9 | 0 | 0 | 0 | 0 | 111.9 | K206 | S204-K206 PolarHBondContact O-N 2.94Š|
| 205 | K | 36 | Very low | 34.3 | Very low | 173 Ų | 173 | 161.2 Ų | 161.2 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -74.8 | 104.9 | -178.7 | -70.4 | -172.2 | 176.7 | 179.9 | 0 | 113.1 | Q203 | Q203-K205 PolarHBondContact O-N 3.31Å; Q203-K205 VanDerWaalsContact O-N 3.15Å |
| 206 | K | 35.1 | Very low | 35 | Very low | 196 Ų | 196 | 163.2 Ų | 163.2 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -62.1 | 138.9 | 153.9 | -69.2 | 176.7 | 178.4 | 174.1 | 0 | 109.5 | S204 | S204-K206 PolarHBondContact O-N 2.94Š|
| 207 | K | 38.2 | Very low | 35 | Very low | 199 Ų | 199 | 162 Ų | 162 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | | 163 | 124.3 | 124.2 | -92.2 | 174.6 | 179.6 | -177.7 | 0 | 113.3 | | |
| 208 | N | 32.4 | Very low | 35.4 | Very low | 150 Ų | 150 | 158.1 Ų | 158.1 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | | -165.2 | 148.9 | 129.5 | -103.7 | -40.1 | 0 | 0 | 0 | 106.6 | L210 | N208-L210 PolarHBondContact OD1-N 3.49Š|
| 209 | P | 39.6 | Very low | 35.8 | Very low | 110 Ų | 110 | 159.5 Ų | 159.5 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | cis | -128.9 | 139.4 | 44.1 | 37.4 | -22 | 0 | 0 | 0 | 117.2 | | |
| 210 | L | 34.5 | Very low | 36.1 | Very low | 141 Ų | 141 | 156.2 Ų | 156.2 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | | | | 50.7 | 91.6 | 115.3 | -148.2 | 170 | 0 | 0 | 0 | 118.3 | N208 | N208-L210 PolarHBondContact OD1-N 3.49Š|
| 211 | F | 37.6 | Very low | 36.4 | Very low | 209 Ų | 209 | 154.9 Ų | 154.9 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | | | trans | -139.3 | 150.2 | 149.5 | -89 | -77.3 | 0 | 0 | 0 | 110.4 | | |
| 212 | R | 37.7 | Very low | 37 | Very low | 252 Ų | 252 | 154.4 Ų | 154.4 | 95% | 0.951 | 78% | 0.783 | S | S | * | * | | | trans | -86.5 | 149.6 | -176 | -93.7 | -177 | 168.6 | -175 | -4.4 | 112.8 | | |
| 213 | S | 30.6 | Very low | 37.5 | Very low | 104 Ų | 104 | 151.5 Ų | 151.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -103.7 | 139 | -179.9 | 52.5 | 0 | 0 | 0 | 0 | 114 | | |
| 214 | I | 39.6 | Very low | 37.7 | Very low | 160 Ų | 160 | 149.5 Ų | 149.5 | 82% | 0.821 | 77% | 0.771 | S | S | * | * | | | trans | -160.9 | 117.7 | 146.8 | -1.9 | 168.7 | 0 | 0 | 0 | 103.7 | | |
| 215 | T | 34.1 | Very low | 38 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | | 56.6 | 135.8 | 54.6 | 73.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 216 | L | 42.5 | Very low | 38.1 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | cis | -129.4 | -166.3 | 7.9 | -56.6 | 155 | 0 | 0 | 0 | 109.3 | | |
| 217 | D | 38.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 147 Ų | 147 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | | | cis | -155.7 | -166.5 | -6 | -140.2 | -46.1 | 0 | 0 | 0 | 111.1 | | |
| 218 | N | 37.5 | Very low | 38 | Very low | 131 Ų | 131 | 143.4 Ų | 143.4 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | | | trans | -99.4 | 168.6 | 176.2 | -53.6 | -80.8 | 0 | 0 | 0 | 113.3 | | |
| 219 | D | 43.4 | Very low | 38.3 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | | -171.4 | 152.3 | 102.5 | -113.7 | -33.7 | 0 | 0 | 0 | 117.1 | | |
| 220 | N | 37.6 | Very low | 38.2 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | -55.2 | 173 | 177.5 | -66.9 | -71.6 | 0 | 0 | 0 | 116.5 | | |
| 221 | M | 41.5 | Very low | 38.7 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | cis | -174 | 171 | -25.3 | -101.6 | -87 | 100.7 | 0 | 0 | 106.2 | | |
| 222 | P | 45 | Very low | 38.8 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | trans | -96.6 | 169.7 | -170.4 | 39.4 | -36.7 | 0 | 0 | 0 | 115.1 | | |
| 223 | N | 39.7 | Very low | 38.8 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | -174.5 | 159.7 | 154.7 | -96.8 | 12.1 | 0 | 0 | 0 | 106.2 | | |
| 224 | D | 39.4 | Very low | 39.1 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 62% | 0.615 | 74% | 0.744 | S | S | * | * | | | cis | -162.5 | 162.4 | -0.1 | -120.9 | -28.9 | 0 | 0 | 0 | 112.5 | | |
| 225 | I | 38.3 | Very low | 38.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | trans | 52.9 | 127.5 | 140 | -65.9 | 160.8 | 0 | 0 | 0 | 122.9 | | |
| 226 | H | 38.1 | Very low | 39.1 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | | | trans | 54.4 | 153.5 | 156.4 | -64.4 | -34.8 | 0 | 0 | 0 | 118.9 | | |
| 227 | N | 35.4 | Very low | 39.2 | Very low | 139 Ų | 139 | 132 Ų | 132 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | cis | -156.4 | 179.2 | 35.6 | -163.2 | -3.6 | 0 | 0 | 0 | 112 | | |
| 228 | N | 34.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 76% | 0.755 | S | S | * | * | | | trans | -71 | 146.4 | 179.6 | -53.6 | -87.2 | 0 | 0 | 0 | 113.3 | | |
| 229 | N | 39.4 | Very low | 39.4 | Very low | 160 Ų | 160 | 131 Ų | 131 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | | | | 173.7 | 138.9 | 109 | -86.5 | -42 | 0 | 0 | 0 | 115.4 | | |
| 230 | N | 37.7 | Very low | 39.3 | Very low | 153 Ų | 153 | 134.5 Ų | 134.5 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -39.5 | 175.9 | 158.8 | -118.5 | -6 | 0 | 0 | 0 | 116.4 | | |
| 231 | P | 44.2 | Very low | 39.4 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 62% | 0.617 | 76% | 0.76 | S | S | * | * | | | cis | -145 | -163 | 5.1 | 35.5 | -10.7 | 0 | 0 | 0 | 116.4 | | |
| 232 | L | 40.9 | Very low | 39.2 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | | | trans | 73.5 | 137.2 | 158.7 | -62.7 | 167.1 | 0 | 0 | 0 | 117.1 | | |
| 233 | S | 36.4 | Very low | 38.9 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | cis | -145.5 | 170.2 | 14.2 | -99.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 234 | S | 36.9 | Very low | 38.8 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | | | trans | -115.4 | 155.2 | -169 | 54.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 235 | S | 36.8 | Very low | 38.5 | Very low | 127 Ų | 127 | 140 Ų | 140 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | | | trans | -152.9 | 147.1 | 146.6 | -172.2 | 0 | 0 | 0 | 0 | 109 | | |
| 236 | S | 36.8 | Very low | 38.5 | Very low | 98 Ų | 98 | 142.9 Ų | 142.9 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -158.1 | 155.5 | -167.6 | 68.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 237 | S | 45.7 | Very low | 38.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -157.7 | 151.2 | 156.6 | -83.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 238 | T | 38.8 | Very low | 38 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | | | trans | -141.3 | 147.6 | -158.6 | 70.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 239 | S | 41.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | | -160.7 | 128.1 | 129 | 5.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 240 | R | 40.3 | Very low | 37.9 | Very low | 221 Ų | 221 | 138.8 Ų | 138.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | | 64.5 | 118.6 | 62.2 | -81.2 | -169.1 | 168 | -166.5 | -2 | 111.2 | | |
| 241 | L | 39.4 | Very low | 37.9 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | cis | -148.3 | 157 | 21.2 | -82.7 | 173.8 | 0 | 0 | 0 | 116 | | |
| 242 | K | 39 | Very low | 37.6 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 81% | 0.809 | 78% | 0.78 | S | S | * | * | | | trans | 62.1 | 110.7 | 142.3 | -72.5 | 172.5 | 178.8 | -177.4 | 0 | 121.3 | | |
| 243 | K | 38 | Very low | 37.5 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | | | trans | -56.8 | 158.9 | 142.8 | -51.8 | 172.3 | 179.5 | 179.8 | 0 | 111 | | |
| 244 | L | 37 | Very low | 37.4 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | -164.6 | 156.6 | 123.2 | -105.9 | 172.1 | 0 | 0 | 0 | 110.7 | F246 | L244-F246 HydrophobicContact CD2-CE2 4.07Å; L244-F246 HydrophobicContact CD2-CZ 4.49Å |
| 245 | S | 33.8 | Very low | 37.3 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | trans | -144 | 116.6 | -165.8 | 53.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 246 | F | 37.9 | Very low | 37.3 | Very low | 185 Ų | 185 | 152 Ų | 152 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -143.2 | 126.5 | 166 | -64 | -71.4 | 0 | 0 | 0 | 106.7 | L244 | L244-F246 HydrophobicContact CD2-CE2 4.07Å; L244-F246 HydrophobicContact CD2-CZ 4.49Å |
| 247 | S | 31.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | | 76.8 | 133.2 | 61.8 | -163 | 0 | 0 | 0 | 0 | 112.4 | | |
| 248 | S | 31.4 | Very low | 37.1 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -98.3 | 136.5 | -164.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 249 | Q | 38 | Very low | 37.1 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | trans | -157.8 | 164.2 | 151.5 | -119.4 | 168.7 | 6.1 | 0 | 0 | 113.2 | | |
| 250 | S | 34.6 | Very low | 37.1 | Very low | 97 Ų | 97 | 159.7 Ų | 159.7 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -64.3 | 165.5 | 174.9 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 251 | D | 37.3 | Very low | 37 | Very low | 110 Ų | 110 | 158.3 Ų | 158.3 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | | | | -173.6 | 161.2 | 50.6 | -145.2 | 6.4 | 0 | 0 | 0 | 116.1 | | |
| 252 | K | 38.1 | Very low | 37 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | 12 | 122.8 | 156 | -62.9 | 158.9 | -167.5 | 81 | 0 | 121.2 | | |
| 253 | K | 39.5 | Very low | 37.3 | Very low | 199 Ų | 199 | 156 Ų | 156 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | | | trans | 163.7 | 150.1 | 132.1 | -91.2 | 152.9 | -175.5 | 177.3 | 0 | 110 | | |
| 254 | L | 33.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | | | cis | 171.7 | 125.1 | -24.4 | -111.6 | 177.7 | 0 | 0 | 0 | 104.4 | | |
| 255 | Y | 35 | Very low | 37.5 | Very low | 205 Ų | 205 | 153.4 Ų | 153.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | 64.8 | 160.7 | 173.7 | -75.2 | -98.4 | 0 | 0 | 0 | 116.5 | | |
| 256 | R | 37.3 | Very low | 38 | Very low | 233 Ų | 233 | 153.7 Ų | 153.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | cis | -139 | 154.5 | 18.1 | -155.4 | -177.6 | -158.6 | 174.3 | 5 | 112.7 | | |
| 257 | S | 37.1 | Very low | 38 | Very low | 94 Ų | 94 | 154.3 Ų | 154.3 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | | | trans | -103.9 | 144.9 | -178 | -21 | 0 | 0 | 0 | 0 | 112.9 | | |
| 258 | D | 39.7 | Very low | 38.1 | Very low | 137 Ų | 137 | 157.3 Ų | 157.3 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -139.5 | 114.5 | 150.9 | -86.3 | -55.1 | 0 | 0 | 0 | 107.6 | | |
| 259 | R | 39.5 | Very low | 38.5 | Very low | 214 Ų | 214 | 160.5 Ų | 160.5 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | | 69.7 | 111.4 | 80.6 | -73.1 | -172.9 | -176.8 | -149.5 | -1.1 | 113.6 | | |
| 260 | L | 42.3 | Very low | 38.3 | Very low | 173 Ų | 173 | 160.4 Ų | 160.4 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | | | | -158.6 | 147.9 | 115.7 | -103 | 170.7 | 0 | 0 | 0 | 110.7 | | |
| 261 | F | 37 | Very low | 38.3 | Very low | 192 Ų | 192 | 163.5 Ų | 163.5 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -89.8 | 170.5 | 178.6 | -81.1 | -110.1 | 0 | 0 | 0 | 109.4 | | |
| 262 | S | 39 | Very low | 38.4 | Very low | 77 Ų | 77 | 166.4 Ų | 166.4 | 54% | 0.538 | 81% | 0.805 | S | S | . | * | | | cis | 179.6 | 164.7 | 48.8 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 263 | K | 45.4 | Very low | 38.4 | Very low | 191 Ų | 191 | 167.4 Ų | 167.4 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | | | trans | 70.9 | 137.5 | 156.3 | -61.3 | 158.2 | -164.7 | 171.9 | 0 | 115.6 | | |
| 264 | V | 40.2 | Very low | 38.1 | Very low | 142 Ų | 142 | 165.1 Ų | 165.1 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | | | cis | -133.3 | 159.8 | 8 | -173.8 | 0 | 0 | 0 | 0 | 111 | | |
| 265 | L | 39.7 | Very low | 38.5 | Very low | 158 Ų | 158 | 165.5 Ų | 165.5 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -91.7 | -166.1 | 179 | -73.7 | 162.8 | 0 | 0 | 0 | 112 | | |
| 266 | P | 44.3 | Very low | 38.4 | Very low | 102 Ų | 102 | 162.2 Ų | 162.2 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | | | cis | -134.7 | 170.3 | -13.5 | 15.7 | 10.7 | 0 | 0 | 0 | 117 | | |
| 267 | K | 38.1 | Very low | 38.5 | Very low | 198 Ų | 198 | 158.7 Ų | 158.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | 30.5 | 129.1 | 137 | -54.6 | 172.4 | 177.8 | -177.8 | 0 | 121.1 | | |
| 268 | E | 34.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 162.8 Ų | 162.8 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | | -161.6 | 168.1 | 94.5 | -118.4 | -178.6 | -178.6 | 0 | 0 | 112.8 | | |
| 269 | M | 38.5 | Very low | 38.4 | Very low | 175 Ų | 175 | 164.8 Ų | 164.8 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | | | trans | 54.3 | 73.3 | 170.3 | -59.7 | -172.7 | 74.6 | 0 | 0 | 119 | | |
| 270 | M | 34.5 | Very low | 38.3 | Very low | 191 Ų | 191 | 161.2 Ų | 161.2 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | | | trans | -138.2 | 73 | 152.1 | -81.3 | -162.1 | 176 | 0 | 0 | 111.5 | | |
| 271 | D | 33.5 | Very low | 37.8 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | trans | -138.1 | 106.8 | 169.7 | -97.4 | -53.4 | 0 | 0 | 0 | 109.4 | | |
| 272 | L | 40.6 | Very low | 37.6 | Very low | 172 Ų | 172 | 153.9 Ų | 153.9 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -175.3 | 73.9 | 149.8 | -103.4 | 163.2 | 0 | 0 | 0 | 111.9 | | |
| 273 | K | 37.4 | Very low | 37.4 | Very low | 179 Ų | 179 | 155.3 Ų | 155.3 | 78% | 0.778 | 81% | 0.813 | S | S | * | * | | | trans | 44.3 | 94.5 | 137.3 | -159.7 | 169.8 | -172.5 | 174.4 | 0 | 118.2 | | |
| 274 | I | 33.3 | Very low | 36.6 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | | | trans | -58.3 | 140.7 | 161.8 | -63.2 | 166.3 | 0 | 0 | 0 | 110.2 | | |
| 275 | I | 42.2 | Very low | 36.5 | Very low | 147 Ų | 147 | 153.6 Ų | 153.6 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | -129.5 | 127.6 | 157.1 | -64.1 | -179.1 | 0 | 0 | 0 | 106.9 | | |
| 276 | D | 32.6 | Very low | 36.3 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -67.6 | 153.9 | 178.7 | -68.3 | -76.4 | 0 | 0 | 0 | 113.1 | | |
| 277 | M | 40.4 | Very low | 35.7 | Very low | 158 Ų | 158 | 154 Ų | 154 | 78% | 0.778 | 81% | 0.806 | S | S | * | * | | | | -172.3 | 119.6 | 112 | -101.4 | 173.5 | 63.6 | 0 | 0 | 113.4 | | |
| 278 | K | 38.6 | Very low | 35.9 | Very low | 180 Ų | 180 | 151 Ų | 151 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 45.4 | 102.4 | 147.6 | -58.8 | 175 | -176.7 | 176.3 | 0 | 117.3 | | |
| 279 | K | 35.3 | Very low | 36.1 | Very low | 180 Ų | 180 | 147.5 Ų | 147.5 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | | | | 71.7 | 106.2 | 73.7 | -174.7 | -131.9 | 173.9 | -151.2 | 0 | 113.6 | | |
| 280 | D | 36.6 | Very low | 35.8 | Very low | 138 Ų | 138 | 146.4 Ų | 146.4 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | | -173.5 | 161.5 | 125.1 | -89.1 | -24.7 | 0 | 0 | 0 | 110.9 | | |
| 281 | G | 33.2 | Very low | 35.7 | Very low | 81 Ų | 81 | 142.5 Ų | 142.5 | 84% | 0.835 | 79% | 0.79 | S | S | * | * | | | trans | 75.5 | 71.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 282 | S | 31.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | -88.6 | 120.1 | 171 | 168.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 283 | S | 34.4 | Very low | 35.7 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -152.6 | 126.1 | 155.9 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | L285 | S283-L285 PolarHBondContact O-N 2.87Š|
| 284 | D | 30.2 | Very low | 36.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | | | trans | 44.4 | 52 | 150 | -98.9 | 39.8 | 0 | 0 | 0 | 121.8 | K286 | D284-K286 VanDerWaalsContact C-N 3.25Å; D284-K286 PolarHBondContact O-N 3.15Å; D284-K286 VanDerWaalsContact O-N 3.1Å; D284-K286 IonicContact OD1-NZ 2.64Å; D284-K286 WeakPolarHBondContact OD2-CE 3.42Å; D284-K286 IonicContact OD2-NZ 2.58Å; D284-K286 PolarHBondContact OD2-NZ 2.82Å |
| 285 | L | 36.7 | Very low | 37.6 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | | | trans | -79.9 | 72.2 | 152.3 | -73.9 | -179.5 | 0 | 0 | 0 | 111.6 | S283 S287 | S283-L285 PolarHBondContact O-N 2.87Å; L285-S287 PolarHBondContact O-N 3.27Å |
| 286 | K | 37.2 | Very low | 39.2 | Very low | 158 Ų | 158 | 130.7 Ų | 130.7 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | trans | -63 | 121.5 | 168.5 | -78.1 | 173.7 | 173 | 130.9 | 0 | 109.9 | D284 V288 | D284-K286 VanDerWaalsContact C-N 3.25Å; D284-K286 PolarHBondContact O-N 3.15Å; D284-K286 VanDerWaalsContact O-N 3.1Å; D284-K286 IonicContact OD1-NZ 2.64Å; D284-K286 WeakPolarHBondContact OD2-CE 3.42Å; D284-K286 IonicContact OD2-NZ 2.58Å; D284-K286 PolarHBondContact OD2-NZ 2.82Å; K286-V288 PolarHBondContact O-N 3.47Å; K286-V288 VanDerWaalsContact O-N 3.13Å |
| 287 | S | 31.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -64.5 | 109 | -173.8 | 41.4 | 0 | 0 | 0 | 0 | 112.2 | L285 T289 | L285-S287 PolarHBondContact O-N 3.27Å; S287-T289 PolarHBondContact O-N 3.17Å |
| 288 | V | 42.1 | Very low | 42.8 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | | | trans | -74.1 | 98.9 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | K286 | K286-V288 PolarHBondContact O-N 3.47Å; K286-V288 VanDerWaalsContact O-N 3.13Å |
| 289 | T | 36.9 | Very low | 44.7 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | trans | -63.7 | 144.1 | -180 | 44.3 | 0 | 0 | 0 | 0 | 112.4 | S287 S291 | S287-T289 PolarHBondContact O-N 3.17Å; T289-S291 PolarHBondContact O-N 3Å |
| 290 | T | 33.4 | Very low | 46.7 | Very low | 151 Ų | 151 | 120.5 Ų | 120.5 | 93% | 0.926 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -81.5 | 50.5 | -170.4 | 39.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 291 | S | 32.3 | Very low | 48.6 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 71% | 0.71 | S | S | * | * | | | trans | -155.6 | 136.6 | 162.8 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | T289 | T289-S291 PolarHBondContact O-N 3Š|
| 292 | G | 32.2 | Very low | 50.6 | Low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | trans | 146.6 | 123.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q294 | G292-Q294 PolarHBondContact O-N 3.09Š|
| 293 | S | 40.7 | Very low | 52.7 | Low | 122 Ų | 122 | 122.2 Ų | 122.2 | 85% | 0.853 | 68% | 0.681 | S | S | * | * | | | trans | -59.3 | 118 | 177.7 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | N295 | S293-N295 PolarHBondContact O-N 3.36Š|
| 294 | Q | 52 | Low | 54.6 | Low | 150 Ų | 150 | 122.6 Ų | 122.6 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | | | trans | -61.5 | 103.6 | 179.8 | -72.2 | -172.5 | -13.2 | 0 | 0 | 110.4 | G292 I296 L299 | G292-Q294 PolarHBondContact O-N 3.09Å; Q294-I296 PolarHBondContact O-N 3.38Å; Q294-I296 VanDerWaalsContact O-N 3.17Å; Q294-L299 HydrophobicContact CB-CD1 4.22Å |
| 295 | N | 59.8 | Low | 56.6 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 56% | 0.556 | 66% | 0.661 | S | S | * | * | | | trans | -63 | 117.5 | 174.2 | -179.5 | -11.9 | 0 | 0 | 0 | 108.6 | S293 K297 G298 L299 | S293-N295 PolarHBondContact O-N 3.36Å; N295-K297 PolarHBondContact O-N 3.05Å; N295-K297 VanDerWaalsContact O-N 3.11Å; N295-K297 WeakPolarHBondContact OD1-CB 3.35Å; N295-K297 PolarHBondContact OD1-N 3.42Å; N295-G298 WeakPolarHBondContact O-CA 3.16Å; N295-G298 PolarHBondContact O-N 2.9Å; N295-L299 PolarHBondContact O-N 2.91Å |
| 296 | I | 76.2 | Confident | 58.3 | Low | 118 Ų | 118 | 116.9 Ų | 116.9 | 61% | 0.605 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -51.5 | -36.5 | 179.5 | -72.8 | 170.6 | 0 | 0 | 0 | 111.4 | Q294 G298 L299 W300 | Q294-I296 PolarHBondContact O-N 3.38Å; Q294-I296 VanDerWaalsContact O-N 3.17Å; I296-G298 VanDerWaalsContact C-N 3.29Å; I296-G298 PolarHBondContact O-N 3.17Å; I296-L299 PolarHBondContact O-N 2.8Å; I296-W300 VanDerWaalsContact O-CD1 3.23Å; I296-W300 PolarHBondContact O-N 3.31Å |
| 297 | K | 72.7 | Confident | 59.6 | Low | 165 Ų | 165 | 114.2 Ų | 114.2 | 72% | 0.717 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.3 | -32.4 | 175.3 | -62 | -173.5 | 176.5 | -174.2 | 0 | 113.3 | N295 K301 | N295-K297 PolarHBondContact O-N 3.05Å; N295-K297 VanDerWaalsContact O-N 3.11Å; N295-K297 WeakPolarHBondContact OD1-CB 3.35Å; N295-K297 PolarHBondContact OD1-N 3.42Å; K297-K301 PolarHBondContact O-N 2.94Å |
| 298 | G | 75.6 | Confident | 61 | Low | 38 Ų | 38 | 117.3 Ų | 117.3 | 39% | 0.392 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.4 | -37.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | N295 I296 R302 | N295-G298 WeakPolarHBondContact O-CA 3.16Å; N295-G298 PolarHBondContact O-N 2.9Å; I296-G298 VanDerWaalsContact C-N 3.29Å; I296-G298 PolarHBondContact O-N 3.17Å; G298-R302 WeakPolarHBondContact O-CB 3.42Å; G298-R302 PolarHBondContact O-N 2.83Å |
| 299 | L | 77.9 | Confident | 61.8 | Low | 76 Ų | 76 | 118 Ų | 118 | 40% | 0.398 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.2 | -47.9 | 170.4 | -72.7 | 167.8 | 0 | 0 | 0 | 110.9 | Q294 N295 I296 R302 A303 | Q294-L299 HydrophobicContact CB-CD1 4.22Å; N295-L299 PolarHBondContact O-N 2.91Å; I296-L299 PolarHBondContact O-N 2.8Å; L299-R302 PolarHBondContact O-N 3.39Å; L299-A303 PolarHBondContact O-N 3.46Å |
| 300 | W | 77.2 | Confident | 62.5 | Low | 161 Ų | 161 | 116.9 Ų | 116.9 | 61% | 0.61 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -59.9 | -45.8 | 175.9 | -82.4 | 106.2 | 0 | 0 | 0 | 112.9 | I296 R302 A303 F304 | I296-W300 VanDerWaalsContact O-CD1 3.23Å; I296-W300 PolarHBondContact O-N 3.31Å; W300-R302 VanDerWaalsContact C-N 3.33Å; W300-R302 PolarHBondContact O-N 3.5Å; W300-A303 PolarHBondContact O-N 2.93Å; W300-F304 AromaticContact CE3-CD2 3.99Å; W300-F304 HydrophobicContact CE3-CD2 3.99Å; W300-F304 AromaticContact CE3-CE2 3.68Å; W300-F304 HydrophobicContact CE3-CE2 3.68Å; W300-F304 AromaticContact CZ3-CE2 3.98Å; W300-F304 HydrophobicContact CZ3-CE2 3.98Å; W300-F304 WeakPolarHBondContact O-CB 3.37Å; W300-F304 WeakPolarHBondContact O-CD2 3.36Å; W300-F304 PolarHBondContact O-N 3.16Å |
| 301 | K | 77.1 | Confident | 63.5 | Low | 151 Ų | 151 | 118 Ų | 118 | 66% | 0.657 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -57.6 | -45.6 | 174.3 | -104.4 | -158.1 | 173.8 | -163.1 | 0 | 111.2 | K297 F304 H305 | K297-K301 PolarHBondContact O-N 2.94Å; K301-F304 PolarHBondContact O-N 2.98Å; K301-H305 PolarHBondContact O-CD2 2.94Å; K301-H305 PolarHBondContact O-N 3.35Å |
| 302 | R | 74.9 | Confident | 64.2 | Low | 180 Ų | 180 | 117.7 Ų | 117.7 | 68% | 0.679 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.6 | -46 | -179.6 | -164.4 | 177.2 | -65.1 | 175.6 | -1.7 | 111.7 | G298 L299 W300 H305 S306 | G298-R302 WeakPolarHBondContact O-CB 3.42Å; G298-R302 PolarHBondContact O-N 2.83Å; L299-R302 PolarHBondContact O-N 3.39Å; W300-R302 VanDerWaalsContact C-N 3.33Å; W300-R302 PolarHBondContact O-N 3.5Å; R302-H305 PolarHBondContact O-N 3.37Å; R302-S306 PolarHBondContact O-N 3.48Å; R302-S306 VanDerWaalsContact O-N 3.11Å; R302-S306 PolarHBondContact O-OG 2.87Å |
| 303 | A | 75.1 | Confident | 64.9 | Low | 54 Ų | 54 | 119.2 Ų | 119.2 | 45% | 0.446 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.9 | -45.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L299 W300 H305 S306 L307 | L299-A303 PolarHBondContact O-N 3.46Å; W300-A303 PolarHBondContact O-N 2.93Å; A303-H305 VanDerWaalsContact C-N 3.35Å; A303-H305 PolarHBondContact O-N 3.2Å; A303-S306 PolarHBondContact O-N 3.45Å; A303-L307 PolarHBondContact O-N 3Å |
| 304 | F | 74.5 | Confident | 65.2 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.6 | -34.3 | 177.3 | -96.7 | -76.7 | 0 | 0 | 0 | 113.3 | W300 K301 R308 | W300-F304 AromaticContact CE3-CD2 3.99Å; W300-F304 HydrophobicContact CE3-CD2 3.99Å; W300-F304 AromaticContact CE3-CE2 3.68Å; W300-F304 HydrophobicContact CE3-CE2 3.68Å; W300-F304 AromaticContact CZ3-CE2 3.98Å; W300-F304 HydrophobicContact CZ3-CE2 3.98Å; W300-F304 WeakPolarHBondContact O-CB 3.37Å; W300-F304 WeakPolarHBondContact O-CD2 3.36Å; W300-F304 PolarHBondContact O-N 3.16Å; K301-F304 PolarHBondContact O-N 2.98Å; F304-R308 WeakPolarHBondContact O-CG 3.46Å; F304-R308 PolarHBondContact O-N 3.26Å |
| 305 | H | 71.7 | Confident | 64.7 | Low | 105 Ų | 105 | 117.9 Ų | 117.9 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.5 | -42.9 | 173.6 | -80.9 | -70.7 | 0 | 0 | 0 | 112 | K301 R302 A303 L307 R308 K309 | K301-H305 PolarHBondContact O-CD2 2.94Å; K301-H305 PolarHBondContact O-N 3.35Å; R302-H305 PolarHBondContact O-N 3.37Å; A303-H305 VanDerWaalsContact C-N 3.35Å; A303-H305 PolarHBondContact O-N 3.2Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-L307 PolarHBondContact O-N 3.37Å; H305-R308 PolarHBondContact O-N 2.92Å; H305-K309 PolarHBondContact O-N 3.3Å; H305-K309 VanDerWaalsContact O-N 3.11Å |
| 306 | S | 72.4 | Confident | 64 | Low | 73 Ų | 73 | 119.7 Ų | 119.7 | 51% | 0.51 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -58.3 | -46.5 | 173.5 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | R302 A303 R308 K309 D310 | R302-S306 PolarHBondContact O-N 3.48Å; R302-S306 VanDerWaalsContact O-N 3.11Å; R302-S306 PolarHBondContact O-OG 2.87Å; A303-S306 PolarHBondContact O-N 3.45Å; S306-R308 PolarHBondContact O-N 3.35Å; S306-R308 VanDerWaalsContact O-N 3.14Å; S306-K309 PolarHBondContact O-N 2.92Å; S306-K309 VanDerWaalsContact O-N 3.16Å; S306-D310 PolarHBondContact O-N 2.97Å; S306-D310 VanDerWaalsContact O-N 3.17Å |
| 307 | L | 65.8 | Low | 62.4 | Low | 102 Ų | 102 | 121.2 Ų | 121.2 | 53% | 0.534 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.2 | -16.8 | -179.8 | -142 | 80.7 | 0 | 0 | 0 | 114.2 | A303 H305 | A303-L307 PolarHBondContact O-N 3Å; H305-L307 VanDerWaalsContact C-N 3.35Å; H305-L307 PolarHBondContact O-N 3.37Å |
| 308 | R | 60.4 | Low | 61 | Low | 174 Ų | 174 | 120.6 Ų | 120.6 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -87.9 | -40.8 | 172.2 | -74.3 | -179.8 | -179 | -173.1 | 0.6 | 112.2 | F304 H305 S306 D310 K311 | F304-R308 WeakPolarHBondContact O-CG 3.46Å; F304-R308 PolarHBondContact O-N 3.26Å; H305-R308 PolarHBondContact O-N 2.92Å; S306-R308 PolarHBondContact O-N 3.35Å; S306-R308 VanDerWaalsContact O-N 3.14Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 2.86Å; R308-K311 PolarHBondContact O-N 3.27Å |
| 309 | K | 58.8 | Low | 59.2 | Low | 150 Ų | 150 | 128.9 Ų | 128.9 | 65% | 0.652 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.9 | -38.2 | 177.4 | -69.4 | -166.9 | 173.9 | -161.6 | 0 | 112.3 | H305 S306 K311 T312 | H305-K309 PolarHBondContact O-N 3.3Å; H305-K309 VanDerWaalsContact O-N 3.11Å; S306-K309 PolarHBondContact O-N 2.92Å; S306-K309 VanDerWaalsContact O-N 3.16Å; K309-K311 PolarHBondContact O-N 2.99Å; K309-T312 PolarHBondContact O-N 3.33Å |
| 310 | D | 52.8 | Low | 57.4 | Low | 88 Ų | 88 | 135.4 Ų | 135.4 | 47% | 0.471 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58 | -11.7 | 176.6 | -119.6 | 42.5 | 0 | 0 | 0 | 115.3 | S306 R308 K314 | S306-D310 PolarHBondContact O-N 2.97Å; S306-D310 VanDerWaalsContact O-N 3.17Å; R308-D310 VanDerWaalsContact C-N 3.3Å; R308-D310 PolarHBondContact O-N 2.86Å; D310-K314 WeakPolarHBondContact O-CE 3.47Å |
| 311 | K | 53 | Low | 55.5 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -16.6 | 176.8 | -67.8 | -167.4 | 175.2 | -170.4 | 0 | 114.5 | R308 K309 | R308-K311 PolarHBondContact O-N 3.27Å; K309-K311 PolarHBondContact O-N 2.99Å |
| 312 | T | 48.3 | Very low | 53.4 | Low | 104 Ų | 104 | 135.3 Ų | 135.3 | 64% | 0.638 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -33.7 | -173.7 | -24.1 | 0 | 0 | 0 | 0 | 113.1 | K309 K314 | K309-T312 PolarHBondContact O-N 3.33Å; T312-K314 VanDerWaalsContact C-N 3.31Å; T312-K314 PolarHBondContact O-N 2.84Å |
| 313 | D | 46.6 | Very low | 51.4 | Low | 102 Ų | 102 | 130.1 Ų | 130.1 | 55% | 0.545 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -77.4 | -10.7 | -177.4 | -76.5 | -47.6 | 0 | 0 | 0 | 114.6 | D315 Q316 | D313-D315 VanDerWaalsContact C-N 3.3Å; D313-D315 PolarHBondContact O-N 3.48Å; D313-Q316 PolarHBondContact O-N 2.94Å |
| 314 | K | 46.6 | Very low | 49.6 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -75.8 | -8.6 | -173.6 | -69.4 | -168 | 178.3 | 177.7 | 0 | 115.8 | D310 T312 | D310-K314 WeakPolarHBondContact O-CE 3.47Å; T312-K314 VanDerWaalsContact C-N 3.31Å; T312-K314 PolarHBondContact O-N 2.84Å |
| 315 | D | 42.1 | Very low | 47.6 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -103.4 | -3.9 | 174.7 | -75.8 | -45.3 | 0 | 0 | 0 | 114.5 | D313 K318 | D313-D315 VanDerWaalsContact C-N 3.3Å; D313-D315 PolarHBondContact O-N 3.48Å; D315-K318 IonicContact OD1-NZ 3.98Å; D315-K318 PolarHBondContact OD1-NZ 2.8Å |
| 316 | Q | 44.7 | Very low | 45.7 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -32.6 | 170.9 | -62.4 | -108.2 | 53.7 | 0 | 0 | 111.6 | D313 K318 | D313-Q316 PolarHBondContact O-N 2.94Å; Q316-K318 PolarHBondContact O-N 2.85Å |
| 317 | I | 43 | Very low | 43.6 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 47.2 | -178.4 | -38.1 | 179.8 | 0 | 0 | 0 | 112.2 | | |
| 318 | K | 42.2 | Very low | 42 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 5.2 | 175.5 | -70.5 | 178.2 | -173.9 | 154.9 | 0 | 113.9 | D315 Q316 | D315-K318 IonicContact OD1-NZ 3.98Å; D315-K318 PolarHBondContact OD1-NZ 2.8Å; Q316-K318 PolarHBondContact O-N 2.85Å |
| 319 | R | 38.1 | Very low | 40.8 | Very low | 212 Ų | 212 | 141.4 Ų | 141.4 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | | | trans | -135.5 | 69.4 | -179.3 | -77.7 | -176.7 | -77.8 | 170.6 | -3.4 | 112.8 | | |
| 320 | K | 40 | Very low | 39.7 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 93% | 0.926 | 73% | 0.732 | S | S | * | * | | | trans | -151.3 | 151.8 | 151 | -114.9 | 173.8 | -176.8 | 179.6 | 0 | 109.9 | | |
| 321 | E | 38.1 | Very low | 38.8 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | | | trans | -97.6 | 154.6 | -157 | -79.2 | 178.5 | 78.6 | 0 | 0 | 115.5 | | |
| 322 | N | 32.1 | Very low | 38.4 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | trans | 37.2 | 101.8 | 135.5 | -51.5 | -30.1 | 0 | 0 | 0 | 117.9 | | |
| 323 | G | 33.3 | Very low | 37.9 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | | | trans | -174.7 | 66.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 324 | N | 37.1 | Very low | 38.2 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 93% | 0.93 | 75% | 0.747 | S | S | * | * | | | trans | 62.6 | 169 | 166.5 | -65.5 | -26 | 0 | 0 | 0 | 118.1 | | |
| 325 | Q | 32.3 | Very low | 38.6 | Very low | 182 Ų | 182 | 143.1 Ų | 143.1 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -102.7 | 142.2 | -171 | -61.2 | 177.5 | 7.6 | 0 | 0 | 112.1 | | |
| 326 | S | 31.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | trans | -140.5 | 138.3 | 139.4 | -170.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 327 | T | 29.6 | Very low | 41.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -111.4 | 94.3 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 328 | D | 30.2 | Very low | 43.2 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | | | trans | -149.7 | 132.6 | 170 | -160.4 | 28.1 | 0 | 0 | 0 | 108.2 | Q330 | D328-Q330 PolarHBondContact O-N 2.83Š|
| 329 | P | 37.3 | Very low | 45 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -76 | 66.7 | 176.1 | 32.5 | -35.9 | 0 | 0 | 0 | 110.1 | T331 | P329-T331 PolarHBondContact O-N 3.43Å; P329-T331 VanDerWaalsContact O-N 3.15Å |
| 330 | Q | 34.3 | Very low | 47 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 77% | 0.766 | 70% | 0.704 | S | S | * | * | | | trans | -58.9 | 119.3 | -173.6 | -162.6 | 172.4 | 17.7 | 0 | 0 | 110.4 | D328 | D328-Q330 PolarHBondContact O-N 2.83Š|
| 331 | T | 34.5 | Very low | 48.9 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 64% | 0.638 | 68% | 0.683 | S | S | * | * | | | trans | -47.9 | 137.5 | 177.5 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | P329 E333 | P329-T331 PolarHBondContact O-N 3.43Å; P329-T331 VanDerWaalsContact O-N 3.15Å; T331-E333 PolarHBondContact O-N 3.27Å |
| 332 | P | 44.6 | Very low | 50.9 | Low | 101 Ų | 101 | 118.4 Ų | 118.4 | 66% | 0.656 | 67% | 0.671 | S | S | * | * | | | trans | -65.1 | 98.6 | 168.6 | 27.6 | -33.4 | 0 | 0 | 0 | 109.1 | G334 | P332-G334 PolarHBondContact O-N 3.39Š|
| 333 | E | 37.6 | Very low | 53.2 | Low | 193 Ų | 193 | 117 Ų | 117 | 90% | 0.902 | 66% | 0.663 | S | S | * | * | | | trans | -72.6 | 74.5 | 173.1 | -67.3 | -152.5 | 150.9 | 0 | 0 | 110.7 | T331 | T331-E333 PolarHBondContact O-N 3.27Š|
| 334 | G | 53.3 | Low | 55.5 | Low | 52 Ų | 52 | 120.7 Ų | 120.7 | 54% | 0.536 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -151.6 | 143.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | P332 V336 | P332-G334 PolarHBondContact O-N 3.39Å; G334-V336 PolarHBondContact O-N 3.12Å |
| 335 | E | 53.9 | Low | 57.4 | Low | 172 Ų | 172 | 114.8 Ų | 114.8 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | | | trans | -63.4 | 94.4 | -179.1 | -171.5 | 178.6 | -178.1 | 0 | 0 | 109.6 | D337 K733 | E335-D337 PolarHBondContact O-N 3.11Å; E335-K733 IonicContact OE1-NZ 3.34Å |
| 336 | V | 67.5 | Low | 59.4 | Low | 74 Ų | 74 | 108.7 Ų | 108.7 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | | | trans | -60.6 | 113 | 178.1 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | G334 P338 Y340 H341 | G334-V336 PolarHBondContact O-N 3.12Å; V336-P338 VanDerWaalsContact O-N 3.11Å; V336-Y340 HydrophobicContact CG1-CD1 4.21Å; V336-H341 HydrophobicContact CG1-CB 4.25Å |
| 337 | D | 79.9 | Confident | 61.4 | Low | 84 Ų | 84 | 105.8 Ų | 105.8 | 45% | 0.449 | 59% | 0.59 | S | S | . | * | | | trans | -49.9 | 120 | -179 | 174.8 | 4.2 | 0 | 0 | 0 | 109.6 | E335 V339 Y340 H341 | E335-D337 PolarHBondContact O-N 3.11Å; D337-V339 PolarHBondContact O-N 3.28Å; D337-V339 VanDerWaalsContact O-N 3.13Å; D337-V339 WeakPolarHBondContact OD1-CB 3.46Å; D337-V339 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V339 PolarHBondContact OD1-N 3.11Å; D337-Y340 WeakPolarHBondContact O-CA 3.32Å; D337-Y340 WeakPolarHBondContact O-CB 3.27Å; D337-Y340 PolarHBondContact O-N 3.43Å; D337-H341 PolarHBondContact O-N 3.42Å |
| 338 | P | 79.6 | Confident | 63.1 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 59% | 0.591 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -23.6 | 179.9 | 24.5 | -34.6 | 0 | 0 | 0 | 112.3 | V336 L342 | V336-P338 VanDerWaalsContact O-N 3.11Å; P338-L342 WeakPolarHBondContact O-CB 3.47Å; P338-L342 PolarHBondContact O-N 3.33Å |
| 339 | V | 79.8 | Confident | 64.2 | Low | 85 Ų | 85 | 104.1 Ų | 104.1 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.8 | -44 | 172.4 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | D337 L342 L343 | D337-V339 PolarHBondContact O-N 3.28Å; D337-V339 VanDerWaalsContact O-N 3.13Å; D337-V339 WeakPolarHBondContact OD1-CB 3.46Å; D337-V339 WeakPolarHBondContact OD1-CG2 3.41Å; D337-V339 PolarHBondContact OD1-N 3.11Å; V339-L342 PolarHBondContact O-N 3.1Å; V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CB 3.38Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.47Å; V339-L343 PolarHBondContact O-N 3.41Å |
| 340 | Y | 80.8 | Confident | 64.6 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 34% | 0.341 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -61.1 | -45.4 | 173.2 | 177.5 | -95 | 0 | 0 | 0 | 111.6 | V336 D337 L343 R344 | V336-Y340 HydrophobicContact CG1-CD1 4.21Å; D337-Y340 WeakPolarHBondContact O-CA 3.32Å; D337-Y340 WeakPolarHBondContact O-CB 3.27Å; D337-Y340 PolarHBondContact O-N 3.43Å; Y340-L343 PolarHBondContact O-N 2.9Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.39Å; Y340-R344 PolarHBondContact O-N 2.86Å |
| 341 | H | 80.7 | Confident | 65.2 | Low | 104 Ų | 104 | 100.2 Ų | 100.2 | 48% | 0.481 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.7 | -44.1 | 176.7 | -167.2 | 91.4 | 0 | 0 | 0 | 111.5 | V336 D337 R344 C345 | V336-H341 HydrophobicContact CG1-CB 4.25Å; D337-H341 PolarHBondContact O-N 3.42Å; H341-R344 PolarHBondContact O-N 3.4Å; H341-C345 WeakPolarHBondContact O-CB 3.38Å; H341-C345 PolarHBondContact O-N 3.15Å; H341-C345 PolarHBondContact O-SG 2.96Å |
| 342 | L | 78.4 | Confident | 65.3 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 52% | 0.518 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.4 | -44 | 177.8 | -176.3 | 63.7 | 0 | 0 | 0 | 112.5 | P338 V339 R344 C345 A346 | P338-L342 WeakPolarHBondContact O-CB 3.47Å; P338-L342 PolarHBondContact O-N 3.33Å; V339-L342 PolarHBondContact O-N 3.1Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.38Å; L342-C345 PolarHBondContact O-N 3.05Å; L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.3Å |
| 343 | L | 80.2 | Confident | 64.9 | Low | 117 Ų | 117 | 100 Ų | 100 | 61% | 0.613 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.7 | -40.4 | 175.4 | -75 | 169.8 | 0 | 0 | 0 | 111.7 | V339 Y340 A346 A347 | V339-L343 HydrophobicContact CG1-CD1 4Å; V339-L343 HydrophobicContact CG1-CG 4.43Å; V339-L343 WeakPolarHBondContact O-CB 3.38Å; V339-L343 VanDerWaalsContact O-CG 3.3Å; V339-L343 WeakPolarHBondContact O-CG 3.47Å; V339-L343 PolarHBondContact O-N 3.41Å; Y340-L343 PolarHBondContact O-N 2.9Å; L343-A346 PolarHBondContact O-N 2.92Å; L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.86Å |
| 344 | R | 82.1 | Confident | 64.7 | Low | 148 Ų | 148 | 93.7 Ų | 93.7 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.2 | -47.4 | 174.7 | -164.2 | -178.7 | -143.9 | 170.1 | 7.9 | 111.3 | Y340 H341 L342 A346 A347 S348 | Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.39Å; Y340-R344 PolarHBondContact O-N 2.86Å; H341-R344 PolarHBondContact O-N 3.4Å; L342-R344 VanDerWaalsContact C-N 3.34Å; L342-R344 PolarHBondContact O-N 3.38Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.38Å; R344-A347 PolarHBondContact O-N 3.4Å; R344-S348 PolarHBondContact O-N 2.88Å; R344-S348 PolarHBondContact O-OG 3.07Å |
| 345 | C | 78.4 | Confident | 63.9 | Low | 50 Ų | 50 | 96.9 Ų | 96.9 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 175.8 | -72 | 0 | 0 | 0 | 0 | 112.9 | H341 L342 K349 | H341-C345 WeakPolarHBondContact O-CB 3.38Å; H341-C345 PolarHBondContact O-N 3.15Å; H341-C345 PolarHBondContact O-SG 2.96Å; L342-C345 PolarHBondContact O-N 3.05Å; C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.3Å; C345-K349 WeakPolarHBondContact O-CG 3.26Å; C345-K349 PolarHBondContact O-N 2.95Å |
| 346 | A | 73.9 | Confident | 63.1 | Low | 55 Ų | 55 | 92.9 Ų | 92.9 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -50 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L342 L343 R344 S348 K349 S350 | L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.3Å; L343-A346 PolarHBondContact O-N 2.92Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 3.38Å; A346-S348 VanDerWaalsContact C-N 3.33Å; A346-S348 PolarHBondContact O-N 3.43Å; A346-K349 PolarHBondContact O-N 2.89Å; A346-K349 VanDerWaalsContact O-N 3.17Å; A346-S350 PolarHBondContact O-N 3.13Å; A346-S350 PolarHBondContact O-OG 3.47Å; A346-S350 VanDerWaalsContact O-OG 3.09Å |
| 347 | A | 73.6 | Confident | 61.7 | Low | 58 Ų | 58 | 94.7 Ų | 94.7 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L343 R344 S350 | L343-A347 WeakPolarHBondContact O-CB 3.41Å; L343-A347 PolarHBondContact O-N 2.86Å; R344-A347 PolarHBondContact O-N 3.4Å; A347-S350 WeakPolarHBondContact CA-OG 3.3Å; A347-S350 PolarHBondContact O-OG 2.87Å |
| 348 | S | 63.7 | Low | 59.7 | Low | 70 Ų | 70 | 95.8 Ų | 95.8 | 49% | 0.49 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.4 | -43.7 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | R344 A346 S350 Q351 T352 | R344-S348 PolarHBondContact O-N 2.88Å; R344-S348 PolarHBondContact O-OG 3.07Å; A346-S348 VanDerWaalsContact C-N 3.33Å; A346-S348 PolarHBondContact O-N 3.43Å; S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 2.92Å; S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; S348-T352 PolarHBondContact O-N 2.98Å; S348-T352 PolarHBondContact O-OG1 3.35Å |
| 349 | K | 53.7 | Low | 57.2 | Low | 152 Ų | 152 | 95.4 Ų | 95.4 | 66% | 0.661 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.1 | -33.3 | 179.2 | -77.6 | -176.7 | 174.8 | -169.1 | 0 | 112.9 | C345 A346 Q351 T352 T353 | C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.3Å; C345-K349 WeakPolarHBondContact O-CG 3.26Å; C345-K349 PolarHBondContact O-N 2.95Å; A346-K349 PolarHBondContact O-N 2.89Å; A346-K349 VanDerWaalsContact O-N 3.17Å; K349-Q351 PolarHBondContact O-N 2.85Å; K349-T352 PolarHBondContact O-N 2.84Å; K349-T353 PolarHBondContact O-N 3.34Å; K349-T353 PolarHBondContact O-OG1 3.04Å; K349-T353 VanDerWaalsContact O-OG1 3.1Å |
| 350 | S | 47.2 | Very low | 55.1 | Low | 85 Ų | 85 | 98.3 Ų | 98.3 | 59% | 0.594 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -14.2 | 174.3 | 48.4 | 0 | 0 | 0 | 0 | 114.4 | A346 A347 S348 | A346-S350 PolarHBondContact O-N 3.13Å; A346-S350 PolarHBondContact O-OG 3.47Å; A346-S350 VanDerWaalsContact O-OG 3.09Å; A347-S350 WeakPolarHBondContact CA-OG 3.3Å; A347-S350 PolarHBondContact O-OG 2.87Å; S348-S350 VanDerWaalsContact C-N 3.34Å; S348-S350 PolarHBondContact O-N 2.92Å |
| 351 | Q | 45.4 | Very low | 52.8 | Low | 124 Ų | 124 | 102.1 Ų | 102.1 | 58% | 0.579 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -93.8 | -29.3 | 173.4 | -66.5 | -164.5 | -34.6 | 0 | 0 | 113.2 | S348 K349 Q483 | S348-Q351 PolarHBondContact O-N 2.9Å; S348-Q351 VanDerWaalsContact O-N 3.15Å; K349-Q351 PolarHBondContact O-N 2.85Å; Q351-Q483 VanDerWaalsContact NE2-NE2 3.19Å |
| 352 | T | 36.4 | Very low | 50.4 | Low | 106 Ų | 106 | 105.8 Ų | 105.8 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -83 | -29.1 | -179 | -39.9 | 0 | 0 | 0 | 0 | 113.6 | S348 K349 A354 | S348-T352 PolarHBondContact O-N 2.98Å; S348-T352 PolarHBondContact O-OG1 3.35Å; K349-T352 PolarHBondContact O-N 2.84Å; T352-A354 PolarHBondContact O-N 2.75Å |
| 353 | T | 37.2 | Very low | 48.2 | Very low | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.7 | -175.7 | -48.5 | 0 | 0 | 0 | 0 | 113.9 | K349 | K349-T353 PolarHBondContact O-N 3.34Å; K349-T353 PolarHBondContact O-OG1 3.04Å; K349-T353 VanDerWaalsContact O-OG1 3.1Å |
| 354 | A | 33.7 | Very low | 45.8 | Very low | 59 Ų | 59 | 111 Ų | 111 | 49% | 0.488 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.7 | -17.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T352 | T352-A354 PolarHBondContact O-N 2.75Š|
| 355 | V | 35.5 | Very low | 43.5 | Very low | 119 Ų | 119 | 109.8 Ų | 109.8 | 72% | 0.721 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -86.4 | -15.6 | -179 | -175.3 | 0 | 0 | 0 | 0 | 112 | | |
| 356 | A | 37.3 | Very low | 41.2 | Very low | 88 Ų | 88 | 114.4 Ų | 114.4 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -90.3 | -6.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 357 | T | 38.8 | Very low | 39.4 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -120.1 | 0.7 | -168.7 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 358 | T | 36.6 | Very low | 37.5 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 66% | 0.656 | 70% | 0.698 | S | S | * | * | | | trans | -110.5 | 49 | -179.7 | 45.7 | 0 | 0 | 0 | 0 | 111.9 | I360 | T358-I360 PolarHBondContact O-N 3.3Š|
| 359 | G | 29 | Very low | 36.2 | Very low | 83 Ų | 83 | 126.4 Ų | 126.4 | 86% | 0.856 | 71% | 0.713 | S | S | * | * | | | trans | -69.9 | 42.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 360 | I | 34 | Very low | 35.2 | Very low | 146 Ų | 146 | 129.5 Ų | 129.5 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | trans | -140.1 | 92.7 | 177.1 | -46.1 | 177.6 | 0 | 0 | 0 | 110.5 | T358 | T358-I360 PolarHBondContact O-N 3.3Š|
| 361 | M | 33.9 | Very low | 34.6 | Very low | 168 Ų | 168 | 130 Ų | 130 | 83% | 0.828 | 73% | 0.73 | S | S | * | * | | | | 175.5 | 113.7 | 125.1 | -98.4 | -177.2 | -74.4 | 0 | 0 | 111.9 | S363 | M361-S363 VanDerWaalsContact C-N 3.3Å; M361-S363 PolarHBondContact O-N 3.04Å |
| 362 | N | 29.1 | Very low | 34.1 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 96% | 0.963 | 74% | 0.74 | S | S | * | * | | | trans | -69.6 | 86.3 | 160.2 | -86.3 | -36.9 | 0 | 0 | 0 | 109.7 | | |
| 363 | S | 32.9 | Very low | 34.1 | Very low | 79 Ų | 79 | 128.6 Ų | 128.6 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | | | trans | -96.9 | 114.5 | 165.1 | 63.6 | 0 | 0 | 0 | 0 | 109.9 | M361 I365 | M361-S363 VanDerWaalsContact C-N 3.3Å; M361-S363 PolarHBondContact O-N 3.04Å; S363-I365 PolarHBondContact O-N 3.41Å |
| 364 | R | 29 | Very low | 34.2 | Very low | 248 Ų | 248 | 129.5 Ų | 129.5 | 94% | 0.936 | 75% | 0.751 | S | S | * | * | | | trans | -73.8 | 67.2 | 173.1 | -68.8 | -176.6 | -176.8 | 167.1 | 0.9 | 110.4 | N366 | R364-N366 VanDerWaalsContact C-N 3.32Å; R364-N366 PolarHBondContact O-N 3.18Å |
| 365 | I | 34.9 | Very low | 34 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | | | trans | -83.1 | 85 | 174.6 | -46 | -174.8 | 0 | 0 | 0 | 108.8 | S363 T367 | S363-I365 PolarHBondContact O-N 3.41Å; I365-T367 HydrophobicContact CG2-CG2 3.66Å; I365-T367 PolarHBondContact O-N 3.45Å |
| 366 | N | 29.7 | Very low | 34.2 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -64 | 81.2 | 160.4 | -95 | -23 | 0 | 0 | 0 | 108.8 | R364 K368 | R364-N366 VanDerWaalsContact C-N 3.32Å; R364-N366 PolarHBondContact O-N 3.18Å; N366-K368 PolarHBondContact O-N 2.92Å |
| 367 | T | 36.5 | Very low | 33.9 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | -68.1 | 83.6 | 168.3 | 46.7 | 0 | 0 | 0 | 0 | 108.9 | I365 T369 | I365-T367 HydrophobicContact CG2-CG2 3.66Å; I365-T367 PolarHBondContact O-N 3.45Å; T367-T369 PolarHBondContact O-N 3.48Å |
| 368 | K | 33.3 | Very low | 33.8 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | | | trans | -49.4 | 108.1 | -176.8 | -68.7 | -179.9 | 177.3 | -179.9 | 0 | 111.4 | N366 K370 | N366-K368 PolarHBondContact O-N 2.92Å; K368-K370 PolarHBondContact O-N 2.94Å |
| 369 | T | 37.2 | Very low | 33.5 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -61.8 | 104.9 | 165.6 | 42.6 | 0 | 0 | 0 | 0 | 109 | T367 S371 | T367-T369 PolarHBondContact O-N 3.48Å; T369-S371 PolarHBondContact O-N 2.82Å |
| 370 | K | 31.6 | Very low | 33.8 | Very low | 218 Ų | 218 | 140.8 Ų | 140.8 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | | | trans | -71.9 | 94.2 | 172.5 | -81.8 | -174.3 | 172.8 | -178.3 | 0 | 109.9 | K368 | K368-K370 PolarHBondContact O-N 2.94Š|
| 371 | S | 33.9 | Very low | 33.7 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 66% | 0.664 | 78% | 0.779 | S | S | * | * | | | trans | -135 | 116.8 | 161.2 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | T369 | T369-S371 PolarHBondContact O-N 2.82Š|
| 372 | S | 36.6 | Very low | 33.6 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | | | trans | -7.6 | 120.5 | 167.4 | 49.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 373 | A | 36.2 | Very low | 33.9 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | | 30.6 | 146.4 | 108.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 374 | P | 38.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | cis | -134.2 | 153.6 | 30.5 | 39.9 | -23.6 | 0 | 0 | 0 | 118.4 | | |
| 375 | D | 29.2 | Very low | 34 | Very low | 145 Ų | 145 | 133.9 Ų | 133.9 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | | | trans | 32.6 | 114.2 | 135.8 | -47.5 | -22.3 | 0 | 0 | 0 | 121 | | |
| 376 | T | 38.8 | Very low | 34 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 93% | 0.926 | 78% | 0.779 | S | S | * | * | | | | -153.8 | 146.1 | 117.1 | -2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 377 | S | 31.2 | Very low | 34 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | trans | -97.8 | 151 | -176.1 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 378 | I | 36.7 | Very low | 34 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 89% | 0.892 | 78% | 0.783 | S | S | * | * | | | trans | -161 | 153.9 | 143.4 | -101.1 | 147.6 | 0 | 0 | 0 | 108.2 | | |
| 379 | T | 30.9 | Very low | 34 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -110.1 | 169.3 | -161 | -55.4 | 0 | 0 | 0 | 0 | 112 | | |
| 380 | S | 35 | Very low | 33.9 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | 81.5 | 150.8 | 163.4 | 80.5 | 0 | 0 | 0 | 0 | 116.8 | | |
| 381 | S | 33.2 | Very low | 34.1 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | | | cis | -172.5 | 151.5 | -26.6 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 382 | N | 31.5 | Very low | 33.9 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | 64.7 | 161.8 | 164.1 | -64.1 | 19.1 | 0 | 0 | 0 | 115.7 | | |
| 383 | E | 34.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 140.8 Ų | 140.8 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | cis | -143.8 | 158 | -9.7 | -132.7 | 157 | 134.8 | 0 | 0 | 110.8 | | |
| 384 | F | 30.5 | Very low | 33.7 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | trans | -105.3 | 80.1 | -177.3 | -139.5 | -83.4 | 0 | 0 | 0 | 111 | | |
| 385 | G | 33.9 | Very low | 33.5 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -84.3 | 125.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 386 | Q | 34.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | | | trans | -98.5 | -169.9 | 170.1 | -61.5 | -171.5 | 36.7 | 0 | 0 | 111.2 | | |
| 387 | F | 30.3 | Very low | 33.3 | Very low | 187 Ų | 187 | 144.5 Ų | 144.5 | 82% | 0.82 | 78% | 0.781 | S | S | * | * | | | trans | 77.8 | 134.1 | 176.1 | -50.5 | -71.7 | 0 | 0 | 0 | 114.4 | | |
| 388 | L | 35.8 | Very low | 33.2 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | | | cis | -133 | 154.5 | -6.1 | -74.2 | 105.1 | 0 | 0 | 0 | 108 | | |
| 389 | K | 34 | Very low | 33.1 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | cis | 93.1 | 80.2 | 31.5 | -165.4 | -164.5 | 176.9 | -174.1 | 0 | 114.7 | | |
| 390 | S | 34.4 | Very low | 33 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -174.4 | 143.3 | 160 | 49.3 | 0 | 0 | 0 | 0 | 109 | | |
| 391 | D | 35.7 | Very low | 33 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | cis | -151.2 | 166.2 | -16.4 | -95.6 | -42.3 | 0 | 0 | 0 | 110.2 | | |
| 392 | Y | 31.2 | Very low | 33.2 | Very low | 226 Ų | 226 | 148.6 Ų | 148.6 | 89% | 0.886 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 139.5 | 178.6 | -93.1 | -117.5 | 0 | 0 | 0 | 112.6 | | |
| 393 | S | 34.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -138.8 | 113.6 | 148.3 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 394 | E | 33.4 | Very low | 33.4 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | | | trans | -87.1 | 112.8 | -177.5 | -177 | 178.7 | 179 | 0 | 0 | 110.2 | | |
| 395 | M | 34.9 | Very low | 33.5 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | trans | -133.2 | 101.2 | 175 | -84.1 | -67.6 | 148.5 | 0 | 0 | 111.1 | S397 | M395-S397 PolarHBondContact O-N 3.44Š|
| 396 | N | 29.8 | Very low | 33.5 | Very low | 140 Ų | 140 | 151.5 Ų | 151.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | trans | -67.8 | 116 | 169.8 | -71.7 | -67.1 | 0 | 0 | 0 | 109.7 | | |
| 397 | S | 33.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -154.1 | 149.2 | 169.2 | -86.9 | 0 | 0 | 0 | 0 | 113 | M395 | M395-S397 PolarHBondContact O-N 3.44Š|
| 398 | Y | 29.5 | Very low | 33.4 | Very low | 224 Ų | 224 | 144.9 Ų | 144.9 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -66 | 147.1 | -165.2 | -86 | -113.6 | 0 | 0 | 0 | 114.5 | G400 | Y398-G400 PolarHBondContact O-N 3.32Š|
| 399 | P | 34.3 | Very low | 33 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -72.2 | 92.1 | 164.1 | 31.3 | -32.7 | 0 | 0 | 0 | 109.7 | | |
| 400 | G | 30 | Very low | 33 | Very low | 51 Ų | 51 | 140.2 Ų | 140.2 | 53% | 0.526 | 78% | 0.781 | S | S | . | * | | | trans | -148.6 | 1.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 118 | Y398 | Y398-G400 PolarHBondContact O-N 3.32Š|
| 401 | S | 34.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 142.2 Ų | 142.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -156.6 | 111.2 | 178.6 | 58.3 | 0 | 0 | 0 | 0 | 113 | | |
| 402 | I | 35.8 | Very low | 32.7 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -105.9 | 107.9 | 161.5 | -55.8 | 178.8 | 0 | 0 | 0 | 107 | | |
| 403 | L | 34.2 | Very low | 32.9 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 131.5 | 173 | -100.2 | 144.1 | 0 | 0 | 0 | 109.9 | Q405 | L403-Q405 PolarHBondContact O-N 2.95Š|
| 404 | L | 35.6 | Very low | 32.7 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | | | trans | -69.4 | 97.5 | 172.7 | -75 | 93.2 | 0 | 0 | 0 | 110.3 | D112 K406 | D112-L404 WeakPolarHBondContact OD2-CD2 3.34Å; L404-K406 PolarHBondContact O-N 2.97Å; L404-K406 VanDerWaalsContact O-N 3.12Å |
| 405 | Q | 34.6 | Very low | 32.9 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | trans | -69.2 | 104.4 | 162.1 | -76.3 | -170.3 | -13.8 | 0 | 0 | 109.4 | L403 A407 | L403-Q405 PolarHBondContact O-N 2.95Å; Q405-A407 PolarHBondContact O-N 3.21Å |
| 406 | K | 32.6 | Very low | 32.6 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -62.6 | 104.8 | 166 | -77.4 | -178.3 | 174.8 | 177 | 0 | 109.4 | L404 S408 | L404-K406 PolarHBondContact O-N 2.97Å; L404-K406 VanDerWaalsContact O-N 3.12Å; K406-S408 PolarHBondContact O-N 3.4Å |
| 407 | A | 32.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | | | trans | -73.3 | 71.4 | 168 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q405 T409 | Q405-A407 PolarHBondContact O-N 3.21Å; A407-T409 PolarHBondContact O-N 2.99Å; A407-T409 VanDerWaalsContact O-N 3.15Å |
| 408 | S | 30.2 | Very low | 33.2 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -72.1 | 101.8 | 172.1 | -75.3 | 0 | 0 | 0 | 0 | 110.1 | K406 S410 | K406-S408 PolarHBondContact O-N 3.4Å; S408-S410 PolarHBondContact O-N 3.26Å |
| 409 | T | 28.4 | Very low | 33.7 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 109.4 | 172.5 | 38.1 | 0 | 0 | 0 | 0 | 110.8 | A407 | A407-T409 PolarHBondContact O-N 2.99Å; A407-T409 VanDerWaalsContact O-N 3.15Å |
| 410 | S | 33.2 | Very low | 34 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -124.3 | 122.9 | 167.4 | 48.8 | 0 | 0 | 0 | 0 | 109.3 | S408 | S408-S410 PolarHBondContact O-N 3.26Š|
| 411 | V | 31.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -92.1 | 118.7 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 412 | T | 32.9 | Very low | 34.6 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -127 | 127.8 | 175.1 | -41 | 0 | 0 | 0 | 0 | 109.1 | | |
| 413 | L | 35.2 | Very low | 34.9 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 154.4 | -179.5 | -65.2 | 166.1 | 0 | 0 | 0 | 110.7 | | |
| 414 | K | 30.6 | Very low | 35.1 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141 | 175.8 | -70.1 | -172.9 | 174.5 | -169.9 | 0 | 112.1 | | |
| 415 | P | 36.5 | Very low | 35.4 | Very low | 119 Ų | 119 | 146.5 Ų | 146.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -98 | 147 | 136.8 | 19.5 | -2.6 | 0 | 0 | 0 | 110.8 | | |
| 416 | N | 29.5 | Very low | 35.5 | Very low | 143 Ų | 143 | 147.7 Ų | 147.7 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 144.5 | 154.7 | -71.4 | -23.1 | 0 | 0 | 0 | 107.5 | | |
| 417 | E | 36.6 | Very low | 35.8 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | | | trans | -171.3 | 143.8 | 139 | -109.9 | 158.8 | -160.2 | 0 | 0 | 113.7 | | |
| 418 | S | 38.5 | Very low | 36.2 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | 33.3 | 113.2 | 158.7 | 59.9 | 0 | 0 | 0 | 0 | 122.2 | | |
| 419 | D | 40.1 | Very low | 36.5 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -62.2 | 152.2 | 140.1 | 167.1 | 55 | 0 | 0 | 0 | 110.9 | | |
| 420 | P | 41.3 | Very low | 37.1 | Very low | 87 Ų | 87 | 149 Ų | 149 | 57% | 0.565 | 78% | 0.78 | S | S | * | * | | | | -154.1 | 158.3 | 120.6 | 41.1 | -24.7 | 0 | 0 | 0 | 118.2 | | |
| 421 | R | 37.3 | Very low | 37.4 | Very low | 218 Ų | 218 | 150.8 Ų | 150.8 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | | | trans | 99.5 | 107.6 | 154.8 | -56.7 | 171.3 | -165.1 | 179.4 | 5.2 | 115.7 | | |
| 422 | R | 40.1 | Very low | 37.9 | Very low | 234 Ų | 234 | 151.9 Ų | 151.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | | 93.6 | 156.1 | 68.1 | -108.4 | -165.4 | 169.3 | -168.2 | -2.1 | 112.6 | | |
| 423 | P | 42.7 | Very low | 38 | Very low | 87 Ų | 87 | 152.7 Ų | 152.7 | 57% | 0.565 | 78% | 0.782 | S | S | * | * | | | cis | -130.9 | -153.2 | -10.9 | 32.3 | -8 | 0 | 0 | 0 | 112.7 | | |
| 424 | D | 38.8 | Very low | 38.3 | Very low | 139 Ų | 139 | 153 Ų | 153 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 75.6 | 132.6 | 163.3 | -46 | -28.9 | 0 | 0 | 0 | 116.6 | | |
| 425 | E | 40.5 | Very low | 38.6 | Very low | 173 Ų | 173 | 150.1 Ų | 150.1 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | cis | -144 | 179.1 | 6 | -124.4 | 173.9 | -163.3 | 0 | 0 | 112.1 | | |
| 426 | Y | 38 | Very low | 38.6 | Very low | 212 Ų | 212 | 151.1 Ų | 151.1 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | trans | -62.8 | 161.5 | -176.1 | -49 | -96.9 | 0 | 0 | 0 | 113.5 | | |
| 427 | L | 38 | Very low | 39.1 | Very low | 149 Ų | 149 | 150.5 Ų | 150.5 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | | -178.4 | 152.9 | 57.4 | -163.1 | 80.9 | 0 | 0 | 0 | 113.2 | | |
| 428 | L | 40.1 | Very low | 39.3 | Very low | 149 Ų | 149 | 148 Ų | 148 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | 71.1 | 136.3 | 154.6 | -117.1 | 71.5 | 0 | 0 | 0 | 123.9 | | |
| 429 | E | 37.8 | Very low | 39.2 | Very low | 181 Ų | 181 | 148.4 Ų | 148.4 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | | | trans | -77.9 | 172.6 | -173.6 | -59.2 | 128.9 | 132.8 | 0 | 0 | 116.2 | | |
| 430 | G | 41.1 | Very low | 39.2 | Very low | 79 Ų | 79 | 147.3 Ų | 147.3 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | | | trans | 179.7 | 69.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 431 | D | 38.5 | Very low | 39 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | -68.3 | 156.3 | 174.9 | -79.7 | -57 | 0 | 0 | 0 | 114.1 | | |
| 432 | N | 41.5 | Very low | 38.9 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | | | | -173.7 | 146.6 | 127 | -101.5 | -65.7 | 0 | 0 | 0 | 112.8 | | |
| 433 | N | 36.2 | Very low | 39 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | -122.6 | 142.1 | -176.7 | -79.4 | -83.3 | 0 | 0 | 0 | 112.5 | | |
| 434 | L | 41.3 | Very low | 38.8 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -178 | 115 | 162.4 | -98.8 | 152.2 | 0 | 0 | 0 | 106.7 | | |
| 435 | N | 35.5 | Very low | 39 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | cis | 84.5 | 144.9 | 24.3 | -152.4 | 5.3 | 0 | 0 | 0 | 115.2 | | |
| 436 | I | 37.8 | Very low | 39.2 | Very low | 140 Ų | 140 | 145 Ų | 145 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | 77.5 | 146.7 | 179.1 | -49.8 | 169.8 | 0 | 0 | 0 | 115.3 | | |
| 437 | I | 40.5 | Very low | 39.4 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 67% | 0.667 | 74% | 0.735 | S | S | * | * | | | | -179.1 | 141.8 | -51.8 | -98.3 | 162.3 | 0 | 0 | 0 | 110 | | |
| 438 | N | 39.8 | Very low | 39.5 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | 73.4 | 131.7 | 156.5 | -88 | -16.7 | 0 | 0 | 0 | 126.3 | | |
| 439 | N | 37.2 | Very low | 39.5 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | | | | 75.8 | 114.4 | 128.4 | -70.6 | -21.7 | 0 | 0 | 0 | 125.3 | | |
| 440 | N | 38.7 | Very low | 39.6 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | | | | 50.7 | 114.4 | 119 | -50 | -18.9 | 0 | 0 | 0 | 120.7 | | |
| 441 | N | 37.5 | Very low | 39.5 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | | | | -178.8 | 149.5 | 86.7 | -99.2 | -62.6 | 0 | 0 | 0 | 115.2 | | |
| 442 | N | 34.9 | Very low | 39.5 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | trans | 6.7 | 130.3 | 151.1 | -55.7 | -42.4 | 0 | 0 | 0 | 120.2 | | |
| 443 | Q | 42.1 | Very low | 39 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | | -177 | 138.9 | 105 | -100.6 | 168.8 | 87.3 | 0 | 0 | 116.9 | | |
| 444 | R | 39.7 | Very low | 39.1 | Very low | 200 Ų | 200 | 143.8 Ų | 143.8 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | trans | 75.2 | 133.1 | 140.3 | -72 | 173.7 | -172.8 | 174 | 7.2 | 122.6 | | |
| 445 | N | 42.3 | Very low | 38.8 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | trans | 75.6 | 140.6 | 147.6 | -58 | -10 | 0 | 0 | 0 | 118.2 | | |
| 446 | K | 43.6 | Very low | 38.7 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 61% | 0.613 | 72% | 0.722 | S | S | * | * | | | cis | -162.1 | 157.6 | -8.7 | -116.2 | 173.9 | 170.1 | -78 | 0 | 109.6 | | |
| 447 | E | 42.5 | Very low | 38.5 | Very low | 148 Ų | 148 | 144.8 Ų | 144.8 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | trans | 25 | 138.1 | 145.7 | -66.2 | 135.9 | -153.2 | 0 | 0 | 120 | | |
| 448 | V | 41.3 | Very low | 38.3 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | | | cis | -145.8 | 152.2 | 36.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 449 | E | 39 | Very low | 38 | Very low | 177 Ų | 177 | 151.4 Ų | 151.4 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | trans | -89.2 | 160.5 | -179.6 | -53.7 | 168.6 | 117.7 | 0 | 0 | 114.1 | | |
| 450 | S | 40.4 | Very low | 37.8 | Very low | 106 Ų | 106 | 151.5 Ų | 151.5 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | | -174.4 | 133.8 | 125.6 | 31 | 0 | 0 | 0 | 0 | 115.4 | | |
| 451 | N | 39.6 | Very low | 37.7 | Very low | 137 Ų | 137 | 151.8 Ų | 151.8 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | | | trans | 71.1 | 95.1 | 145.9 | -57.5 | -18.8 | 0 | 0 | 0 | 121.9 | | |
| 452 | I | 37.3 | Very low | 37.5 | Very low | 160 Ų | 160 | 153.8 Ų | 153.8 | 82% | 0.821 | 76% | 0.762 | S | S | * | * | | | | 55.1 | 138.9 | 102.6 | -63.3 | 161.4 | 0 | 0 | 0 | 118.2 | | |
| 453 | S | 32.5 | Very low | 37.3 | Very low | 84 Ų | 84 | 152 Ų | 152 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | | | cis | 178.2 | 147.9 | -17.5 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 454 | R | 37.5 | Very low | 37 | Very low | 236 Ų | 236 | 152 Ų | 152 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | 160.2 | 114.3 | 154.7 | -89.1 | 153.4 | -157.9 | -159.4 | 6.2 | 107.9 | | |
| 455 | F | 36 | Very low | 36.7 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 79% | 0.789 | 76% | 0.763 | S | S | * | * | | | | 48.1 | 139.5 | 71.2 | -79.7 | -101.9 | 0 | 0 | 0 | 114.5 | | |
| 456 | N | 33.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | cis | -168.3 | 168.3 | -34 | -131.8 | 33.2 | 0 | 0 | 0 | 106.7 | | |
| 457 | E | 33.5 | Very low | 35.7 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | 9.2 | 126.6 | 156 | -58.3 | 174.2 | 114.4 | 0 | 0 | 120.9 | | |
| 458 | Q | 35.7 | Very low | 35 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 94% | 0.935 | 78% | 0.782 | S | S | * | * | | | | -157.2 | 138.7 | 129.7 | -118.6 | 155.6 | 78.5 | 0 | 0 | 113.5 | | |
| 459 | K | 34.2 | Very low | 34.8 | Very low | 203 Ų | 203 | 146 Ų | 146 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -118.7 | 158.7 | 166.9 | -79 | -178.1 | 177 | 175.3 | 0 | 108.8 | | |
| 460 | S | 31.9 | Very low | 34.2 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | 78.1 | 172.4 | 170 | -156.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 461 | V | 35.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 146.4 Ų | 146.4 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 73.8 | 136.9 | -166.6 | -174.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 462 | K | 33.9 | Very low | 33.8 | Very low | 181 Ų | 181 | 149.3 Ų | 149.3 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | cis | -179.6 | 164.5 | -38 | -112.9 | 175.2 | 177.2 | 178.9 | 0 | 106.2 | | |
| 463 | S | 31.3 | Very low | 33.7 | Very low | 91 Ų | 91 | 149.2 Ų | 149.2 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | 44.2 | 115.4 | 153 | 58 | 0 | 0 | 0 | 0 | 120.5 | | |
| 464 | N | 35.1 | Very low | 33.6 | Very low | 147 Ų | 147 | 150 Ų | 150 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | 179.8 | 119.3 | 110.2 | -82 | -24.8 | 0 | 0 | 0 | 107.9 | | |
| 465 | V | 33.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | | | | 69.8 | 115.5 | 60.7 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 466 | L | 30.3 | Very low | 33.3 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -9.9 | 115.9 | 169 | -64.6 | 163.8 | 0 | 0 | 0 | 117.2 | | |
| 467 | I | 35.3 | Very low | 33.4 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | | | trans | -130.5 | 116.2 | 152.2 | -61.5 | -177.7 | 0 | 0 | 0 | 108.9 | S469 | I467-S469 PolarHBondContact O-N 3.24Å; I467-S469 VanDerWaalsContact O-N 3.15Å |
| 468 | S | 28.8 | Very low | 33.7 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -74.1 | 95.6 | 176.4 | -50.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 469 | S | 35.2 | Very low | 33.5 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 78% | 0.783 | S | S | * | * | | | trans | -90.9 | 107.6 | 177.9 | 46.9 | 0 | 0 | 0 | 0 | 111.8 | I467 I471 | I467-S469 PolarHBondContact O-N 3.24Å; I467-S469 VanDerWaalsContact O-N 3.15Å; S469-I471 VanDerWaalsContact C-N 3.29Å; S469-I471 PolarHBondContact O-N 3.21Å |
| 470 | N | 28.5 | Very low | 33.3 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | -70.2 | 78.1 | 175 | -77.6 | -60.6 | 0 | 0 | 0 | 111.7 | K472 | N470-K472 PolarHBondContact O-N 2.86Š|
| 471 | I | 36.8 | Very low | 33.6 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | | | trans | -74.1 | 91.4 | 172.9 | -56.1 | 179.4 | 0 | 0 | 0 | 108.8 | S469 L473 | S469-I471 VanDerWaalsContact C-N 3.29Å; S469-I471 PolarHBondContact O-N 3.21Å; I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 HydrophobicContact CG2-CD2 4.38Å; I471-L473 HydrophobicContact CG2-CG 4.37Å; I471-L473 PolarHBondContact O-N 2.93Å |
| 472 | K | 33.8 | Very low | 33.4 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | -63.9 | 92.4 | 165.3 | -79.7 | -174.5 | 173.1 | -178.7 | 0 | 109.3 | N470 S474 | N470-K472 PolarHBondContact O-N 2.86Å; K472-S474 PolarHBondContact O-N 3.22Å |
| 473 | L | 35.1 | Very low | 33.6 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | -63.1 | 99.7 | 167.3 | -74.4 | 170.1 | 0 | 0 | 0 | 108.8 | I471 | I471-L473 VanDerWaalsContact C-N 3.32Å; I471-L473 HydrophobicContact CG2-CD2 4.38Å; I471-L473 HydrophobicContact CG2-CG 4.37Å; I471-L473 PolarHBondContact O-N 2.93Å |
| 474 | S | 30.1 | Very low | 33.7 | Very low | 100 Ų | 100 | 143.1 Ų | 143.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -61.6 | 141.4 | 176.1 | -171.1 | 0 | 0 | 0 | 0 | 110.2 | K472 Q476 | K472-S474 PolarHBondContact O-N 3.22Å; S474-Q476 PolarHBondContact O-N 3.37Å |
| 475 | P | 35.1 | Very low | 34 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -58.8 | 106 | -178.1 | -25.2 | 34.9 | 0 | 0 | 0 | 112 | K477 | P475-K477 PolarHBondContact O-N 3.38Š|
| 476 | Q | 32.8 | Very low | 34.4 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | trans | -69.3 | 104.2 | 177.6 | -168.1 | 170 | 10.9 | 0 | 0 | 108.4 | S474 | S474-Q476 PolarHBondContact O-N 3.37Š|
| 477 | K | 35.2 | Very low | 35.4 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 80% | 0.8 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 133.2 | 178.8 | -65.4 | 177.5 | -179.8 | 176.1 | 0 | 109.2 | P475 V479 | P475-K477 PolarHBondContact O-N 3.38Å; K477-V479 PolarHBondContact O-N 3.28Å |
| 478 | P | 38.8 | Very low | 36.3 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.2 | 172.8 | 26.1 | -33.3 | 0 | 0 | 0 | 109 | A480 | P478-A480 PolarHBondContact O-N 2.88Š|
| 479 | V | 32.6 | Very low | 38 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 78% | 0.782 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 134.3 | 173.1 | 175.7 | 0 | 0 | 0 | 0 | 107.9 | K477 E481 | K477-V479 PolarHBondContact O-N 3.28Å; V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 3.02Å |
| 480 | A | 30.8 | Very low | 39.1 | Very low | 87 Ų | 87 | 132.7 Ų | 132.7 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | | | trans | -73.3 | 89.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P478 Q482 | P478-A480 PolarHBondContact O-N 2.88Å; A480-Q482 PolarHBondContact O-N 3.4Å; A480-Q482 VanDerWaalsContact O-N 3.16Å |
| 481 | E | 36.5 | Very low | 40.9 | Very low | 180 Ų | 180 | 131.1 Ų | 131.1 | 84% | 0.841 | 70% | 0.701 | S | S | * | * | | | trans | -58.6 | 117.4 | 170.7 | -68.9 | -173 | 152.3 | 0 | 0 | 109.3 | V479 Q483 | V479-E481 VanDerWaalsContact C-N 3.34Å; V479-E481 PolarHBondContact O-N 3.02Å; E481-Q483 PolarHBondContact O-N 2.85Å |
| 482 | Q | 32.4 | Very low | 42.6 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | | | trans | -74.8 | 98.1 | -176 | -66.5 | 178.6 | -0.6 | 0 | 0 | 108.8 | A480 I484 | A480-Q482 PolarHBondContact O-N 3.4Å; A480-Q482 VanDerWaalsContact O-N 3.16Å; Q482-I484 PolarHBondContact O-N 3.5Å |
| 483 | Q | 37.4 | Very low | 44.4 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 65% | 0.645 | 68% | 0.677 | S | S | * | * | | | trans | -65.1 | 84.5 | 167.1 | -76.6 | -175.9 | -1.2 | 0 | 0 | 109.5 | Q351 E481 V485 | Q351-Q483 VanDerWaalsContact NE2-NE2 3.19Å; E481-Q483 PolarHBondContact O-N 2.85Å; Q483-V485 HydrophobicContact CB-CG2 4.33Å; Q483-V485 PolarHBondContact O-N 3.08Å |
| 484 | I | 34.4 | Very low | 46.2 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | | | trans | -72 | 72.4 | 161.8 | -53.2 | 178.6 | 0 | 0 | 0 | 106.7 | Q482 N486 | Q482-I484 PolarHBondContact O-N 3.5Å; I484-N486 PolarHBondContact O-N 3.25Å; I484-N486 VanDerWaalsContact O-N 3.15Å |
| 485 | V | 40.8 | Very low | 48.3 | Very low | 91 Ų | 91 | 121.1 Ų | 121.1 | 55% | 0.552 | 65% | 0.646 | S | S | * | * | | | trans | -63.5 | 114.6 | 163.9 | 176.3 | 0 | 0 | 0 | 0 | 105.9 | Q483 V487 | Q483-V485 HydrophobicContact CB-CG2 4.33Å; Q483-V485 PolarHBondContact O-N 3.08Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.94Å |
| 486 | N | 43 | Very low | 50.1 | Low | 89 Ų | 89 | 121.1 Ų | 121.1 | 48% | 0.476 | 64% | 0.636 | S | S | . | * | | | trans | -67.7 | 91.3 | 177.2 | -169 | 14.2 | 0 | 0 | 0 | 108.2 | I484 N488 E489 | I484-N486 PolarHBondContact O-N 3.25Å; I484-N486 VanDerWaalsContact O-N 3.15Å; N486-N488 PolarHBondContact O-N 3.23Å; N486-N488 VanDerWaalsContact O-N 3.07Å; N486-E489 HydrophobicContact CB-CB 4.31Å; N486-E489 WeakPolarHBondContact O-CB 3.36Å; N486-E489 PolarHBondContact O-N 3Å |
| 487 | V | 50.4 | Low | 51.9 | Low | 92 Ų | 92 | 118.2 Ų | 118.2 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -51.9 | -39.2 | -169.1 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | V485 E489 A490 E491 | V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.94Å; V487-E489 PolarHBondContact O-N 3.3Å; V487-A490 PolarHBondContact O-N 3.05Å; V487-E491 HydrophobicContact CG1-CG 4.41Å; V487-E491 PolarHBondContact O-N 3.35Å |
| 488 | N | 54.3 | Low | 53.8 | Low | 108 Ų | 108 | 115.1 Ų | 115.1 | 58% | 0.578 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -54.4 | -35 | 176.5 | -58 | -10.4 | 0 | 0 | 0 | 113.6 | N486 L492 | N486-N488 PolarHBondContact O-N 3.23Å; N486-N488 VanDerWaalsContact O-N 3.07Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 WeakPolarHBondContact O-CD1 3.37Å; N488-L492 PolarHBondContact O-N 2.9Å |
| 489 | E | 63.5 | Low | 55 | Low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.8 | -39.7 | -177.8 | -170.5 | 173 | 177.7 | 0 | 0 | 111.7 | N486 V487 L492 A493 | N486-E489 HydrophobicContact CB-CB 4.31Å; N486-E489 WeakPolarHBondContact O-CB 3.36Å; N486-E489 PolarHBondContact O-N 3Å; V487-E489 PolarHBondContact O-N 3.3Å; E489-L492 PolarHBondContact O-N 2.98Å; E489-A493 WeakPolarHBondContact O-CB 3.43Å; E489-A493 PolarHBondContact O-N 3.04Å |
| 490 | A | 59.4 | Low | 56.2 | Low | 57 Ų | 57 | 118.2 Ų | 118.2 | 47% | 0.471 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.1 | -39.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V487 Y494 | V487-A490 PolarHBondContact O-N 3.05Å; A490-Y494 WeakPolarHBondContact O-CB 3.49Å; A490-Y494 PolarHBondContact O-N 2.91Å |
| 491 | E | 65.7 | Low | 57.2 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 58% | 0.575 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.9 | -39.6 | 172.5 | -70.5 | -167 | 149.1 | 0 | 0 | 112.4 | V487 A493 Y494 E495 | V487-E491 HydrophobicContact CG1-CG 4.41Å; V487-E491 PolarHBondContact O-N 3.35Å; E491-A493 PolarHBondContact O-N 3.47Å; E491-Y494 PolarHBondContact O-N 2.92Å; E491-E495 WeakPolarHBondContact O-CB 3.4Å; E491-E495 PolarHBondContact O-N 3.4Å |
| 492 | L | 72.5 | Confident | 57.5 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 59% | 0.592 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.3 | -46.4 | 173.8 | -119 | 81.2 | 0 | 0 | 0 | 111.7 | N488 E489 E495 Q496 | N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 WeakPolarHBondContact O-CD1 3.37Å; N488-L492 PolarHBondContact O-N 2.9Å; E489-L492 PolarHBondContact O-N 2.98Å; L492-E495 PolarHBondContact O-N 2.95Å; L492-Q496 WeakPolarHBondContact O-CB 3.42Å; L492-Q496 WeakPolarHBondContact O-CG 3.36Å; L492-Q496 PolarHBondContact O-N 3.22Å |
| 493 | A | 72 | Confident | 57.9 | Low | 56 Ų | 56 | 116.1 Ų | 116.1 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.1 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E489 E491 Q496 H497 | E489-A493 WeakPolarHBondContact O-CB 3.43Å; E489-A493 PolarHBondContact O-N 3.04Å; E491-A493 PolarHBondContact O-N 3.47Å; A493-Q496 PolarHBondContact O-N 3.43Å; A493-H497 WeakPolarHBondContact O-CB 3.45Å; A493-H497 PolarHBondContact O-N 3.21Å |
| 494 | Y | 71.9 | Confident | 58.4 | Low | 159 Ų | 159 | 118 Ų | 118 | 62% | 0.624 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.6 | -47.3 | 176 | -179 | -108.5 | 0 | 0 | 0 | 112.3 | A490 E491 H497 K498 | A490-Y494 WeakPolarHBondContact O-CB 3.49Å; A490-Y494 PolarHBondContact O-N 2.91Å; E491-Y494 PolarHBondContact O-N 2.92Å; Y494-H497 PolarHBondContact O-N 3.25Å; Y494-K498 VanDerWaalsContact O-CB 3.28Å; Y494-K498 WeakPolarHBondContact O-CB 3.45Å; Y494-K498 PolarHBondContact O-N 3.3Å |
| 495 | E | 74.6 | Confident | 58.8 | Low | 53 Ų | 53 | 120.6 Ų | 120.6 | 25% | 0.248 | 59% | 0.59 | C | S | . | * | H | α-helix | trans | -69 | -31 | 177.3 | -80.9 | -65.3 | 136.3 | 0 | 0 | 113 | E491 L492 K498 R499 | E491-E495 WeakPolarHBondContact O-CB 3.4Å; E491-E495 PolarHBondContact O-N 3.4Å; L492-E495 PolarHBondContact O-N 2.95Å; E495-K498 WeakPolarHBondContact OE1-CD 3.46Å; E495-K498 WeakPolarHBondContact OE1-CE 3.38Å; E495-K498 IonicContact OE1-NZ 3.55Å; E495-K498 PolarHBondContact OE1-NZ 3.31Å; E495-K498 IonicContact OE2-NZ 3.7Å; E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 3.11Å; E495-R499 IonicContact OE2-CZ 2.75Å; E495-R499 IonicContact OE2-NH2 3.87Å |
| 496 | Q | 73.4 | Confident | 58.6 | Low | 118 Ų | 118 | 121.7 Ų | 121.7 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.5 | -49.3 | 168.3 | -81.3 | -168.8 | -6.5 | 0 | 0 | 111.4 | L492 A493 K498 R499 M500 | L492-Q496 WeakPolarHBondContact O-CB 3.42Å; L492-Q496 WeakPolarHBondContact O-CG 3.36Å; L492-Q496 PolarHBondContact O-N 3.22Å; A493-Q496 PolarHBondContact O-N 3.43Å; Q496-K498 PolarHBondContact O-N 3.38Å; Q496-R499 CarbonylContact O-C 3.59Å; Q496-R499 PolarHBondContact O-N 3.42Å; Q496-R499 VanDerWaalsContact O-N 3.08Å; Q496-M500 WeakPolarHBondContact O-CG 3.44Å; Q496-M500 PolarHBondContact O-N 3.44Å |
| 497 | H | 70.8 | Confident | 58.4 | Low | 127 Ų | 127 | 124.7 Ų | 124.7 | 59% | 0.588 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.2 | -29.8 | -179.4 | -163 | -93.1 | 0 | 0 | 0 | 112.6 | A493 Y494 N501 | A493-H497 WeakPolarHBondContact O-CB 3.45Å; A493-H497 PolarHBondContact O-N 3.21Å; Y494-H497 PolarHBondContact O-N 3.25Å; H497-N501 PolarHBondContact O-ND2 3.16Å |
| 498 | K | 74.2 | Confident | 57.9 | Low | 120 Ų | 120 | 132.6 Ų | 132.6 | 52% | 0.522 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -71.3 | -45.4 | 170.6 | -172.2 | -172.5 | -179.7 | -164.5 | 0 | 112.1 | Y494 E495 Q496 M500 N501 | Y494-K498 VanDerWaalsContact O-CB 3.28Å; Y494-K498 WeakPolarHBondContact O-CB 3.45Å; Y494-K498 PolarHBondContact O-N 3.3Å; E495-K498 WeakPolarHBondContact OE1-CD 3.46Å; E495-K498 WeakPolarHBondContact OE1-CE 3.38Å; E495-K498 IonicContact OE1-NZ 3.55Å; E495-K498 PolarHBondContact OE1-NZ 3.31Å; E495-K498 IonicContact OE2-NZ 3.7Å; Q496-K498 PolarHBondContact O-N 3.38Å; K498-M500 PolarHBondContact O-N 2.98Å; K498-N501 PolarHBondContact O-N 3.36Å |
| 499 | R | 64.6 | Low | 57 | Low | 169 Ų | 169 | 132 Ų | 132 | 64% | 0.638 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -28.6 | 176.2 | -75.2 | 178.3 | -172 | 113.3 | 5.9 | 113.9 | E495 Q496 N501 P502 | E495-R499 WeakPolarHBondContact O-CB 3.5Å; E495-R499 VanDerWaalsContact O-CG 3.25Å; E495-R499 WeakPolarHBondContact O-CG 3.47Å; E495-R499 PolarHBondContact O-N 3.11Å; E495-R499 IonicContact OE2-CZ 2.75Å; E495-R499 IonicContact OE2-NH2 3.87Å; Q496-R499 CarbonylContact O-C 3.59Å; Q496-R499 PolarHBondContact O-N 3.42Å; Q496-R499 VanDerWaalsContact O-N 3.08Å; R499-N501 VanDerWaalsContact C-N 3.34Å; R499-P502 WeakPolarHBondContact O-CD 3.41Å |
| 500 | M | 56.9 | Low | 55.6 | Low | 151 Ų | 151 | 133 Ų | 133 | 74% | 0.744 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -5 | 176.6 | -64.9 | -144.5 | -64.4 | 0 | 0 | 114.3 | Q496 K498 P502 | Q496-M500 WeakPolarHBondContact O-CG 3.44Å; Q496-M500 PolarHBondContact O-N 3.44Å; K498-M500 PolarHBondContact O-N 2.98Å; M500-P502 WeakPolarHBondContact O-CD 3.49Å |
| 501 | N | 52.3 | Low | 54.7 | Low | 86 Ų | 86 | 139.2 Ų | 139.2 | 46% | 0.46 | 67% | 0.665 | S | S | . | * | | | trans | -87.7 | 4.9 | -177.9 | -110.3 | -81.9 | 0 | 0 | 0 | 119.6 | H497 K498 R499 R503 | H497-N501 PolarHBondContact O-ND2 3.16Å; K498-N501 PolarHBondContact O-N 3.36Å; R499-N501 VanDerWaalsContact C-N 3.34Å; N501-R503 VanDerWaalsContact C-N 3.32Å; N501-R503 PolarHBondContact O-N 3.11Å |
| 502 | P | 43.4 | Very low | 53.3 | Low | 94 Ų | 94 | 143.5 Ų | 143.5 | 61% | 0.61 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 9.3 | -171.7 | 34 | -36.6 | 0 | 0 | 0 | 115.7 | R499 M500 | R499-P502 WeakPolarHBondContact O-CD 3.41Å; M500-P502 WeakPolarHBondContact O-CD 3.49Å |
| 503 | R | 40.9 | Very low | 51.5 | Low | 213 Ų | 213 | 143 Ų | 143 | 80% | 0.804 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -8.1 | -170.4 | -62.4 | -171.4 | 76.5 | 167.6 | 2.1 | 117.2 | N501 | N501-R503 VanDerWaalsContact C-N 3.32Å; N501-R503 PolarHBondContact O-N 3.11Å |
| 504 | Q | 47.1 | Very low | 49.9 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -105.2 | 1.1 | -173.7 | -70.5 | -170 | -8.1 | 0 | 0 | 116.4 | | |
| 505 | K | 43.7 | Very low | 48 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 89% | 0.887 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -112.1 | 3.1 | -178.1 | -71 | -177.7 | 179 | 172.3 | 0 | 115.7 | | |
| 506 | T | 36.6 | Very low | 46.2 | Very low | 114 Ų | 114 | 148.6 Ų | 148.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -124.8 | 15.1 | -169 | -29.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 507 | L | 38.9 | Very low | 44.3 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | | | trans | -120.9 | 41 | -179.5 | -70.1 | 172.9 | 0 | 0 | 0 | 113 | | |
| 508 | R | 39.2 | Very low | 42.9 | Very low | 258 Ų | 258 | 151.9 Ų | 151.9 | 97% | 0.974 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -131.7 | 52.2 | 167.3 | -74.8 | -167.5 | 171.6 | -173.4 | -1.5 | 111.7 | | |
| 509 | S | 35.3 | Very low | 41.2 | Very low | 95 Ų | 95 | 154.6 Ų | 154.6 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -150 | 162.1 | 167.1 | -167.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 510 | N | 33.7 | Very low | 39.8 | Very low | 153 Ų | 153 | 154.3 Ų | 154.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 64.7 | 53.5 | 172 | -55.3 | -23.1 | 0 | 0 | 0 | 117.7 | | |
| 511 | Q | 40.1 | Very low | 38.7 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -126.8 | 96.2 | 146.5 | -79.7 | -167.7 | -20.9 | 0 | 0 | 110.6 | S513 | Q511-S513 PolarHBondContact O-N 3.14Š|
| 512 | K | 36.6 | Very low | 38 | Very low | 212 Ų | 212 | 158.7 Ų | 158.7 | 92% | 0.922 | 81% | 0.805 | S | S | * | * | | | trans | -83 | 102.6 | 161.4 | -76.3 | 177.7 | 175.8 | 175.3 | 0 | 107.3 | | |
| 513 | S | 36 | Very low | 37.7 | Very low | 102 Ų | 102 | 163 Ų | 163 | 71% | 0.713 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66 | 142.9 | 169.4 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | Q511 | Q511-S513 PolarHBondContact O-N 3.14Š|
| 514 | P | 38.5 | Very low | 37.4 | Very low | 116 Ų | 116 | 159 Ų | 159 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 142.6 | 176.4 | -24 | 34.7 | 0 | 0 | 0 | 111.9 | | |
| 515 | G | 31.5 | Very low | 36.7 | Very low | 73 Ų | 73 | 154.5 Ų | 154.5 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81 | 120.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 516 | F | 35.9 | Very low | 36.4 | Very low | 198 Ų | 198 | 154.4 Ų | 154.4 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124.6 | 160.6 | -80.5 | -90.7 | 0 | 0 | 0 | 108.8 | | |
| 517 | H | 34.1 | Very low | 36.6 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 144.2 | 158.6 | -89.9 | -110.1 | 0 | 0 | 0 | 108.9 | | |
| 518 | T | 40.6 | Very low | 36.5 | Very low | 133 Ų | 133 | 151 Ų | 151 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | | | trans | -136.6 | 130.7 | 158.2 | -57.5 | 0 | 0 | 0 | 0 | 104.8 | | |
| 519 | E | 39.9 | Very low | 36.2 | Very low | 176 Ų | 176 | 146 Ų | 146 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -81.8 | 155.7 | -158.7 | -60.8 | 176.1 | 139.7 | 0 | 0 | 112.4 | Y521 | E519-Y521 PolarHBondContact O-N 3.2Š|
| 520 | D | 34.6 | Very low | 36.3 | Very low | 164 Ų | 164 | 152.1 Ų | 152.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -68.3 | 125 | 175.7 | -66.5 | -72 | 0 | 0 | 0 | 110.6 | | |
| 521 | Y | 33.5 | Very low | 36.4 | Very low | 218 Ų | 218 | 150.3 Ų | 150.3 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | | | trans | -136.9 | 117.7 | 166.1 | -125.9 | -87.9 | 0 | 0 | 0 | 110.9 | E519 Q523 | E519-Y521 PolarHBondContact O-N 3.2Å; Y521-Q523 PolarHBondContact O-N 3.46Å |
| 522 | P | 37.8 | Very low | 36.4 | Very low | 110 Ų | 110 | 152.4 Ų | 152.4 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | | | trans | -84.4 | 93.7 | -176.5 | 32.8 | -33.6 | 0 | 0 | 0 | 110.6 | T524 | P522-T524 PolarHBondContact O-N 3.17Š|
| 523 | Q | 37.5 | Very low | 36.6 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | trans | -80.2 | 86.9 | -178.6 | -157.6 | 167.6 | 21.8 | 0 | 0 | 112.3 | Y521 | Y521-Q523 PolarHBondContact O-N 3.46Š|
| 524 | T | 33.5 | Very low | 36.8 | Very low | 128 Ų | 128 | 150.9 Ų | 150.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -77.5 | 116.2 | 167.5 | 52.3 | 0 | 0 | 0 | 0 | 111.1 | P522 | P522-T524 PolarHBondContact O-N 3.17Š|
| 525 | S | 33.7 | Very low | 37 | Very low | 85 Ų | 85 | 154.3 Ų | 154.3 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | | | trans | -163.5 | 115.2 | 163.8 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 526 | F | 37.9 | Very low | 37.4 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | | | trans | 40.7 | 111.9 | 143.9 | -58.8 | -78.5 | 0 | 0 | 0 | 120.7 | G528 | F526-G528 PolarHBondContact O-N 3.41Š|
| 527 | T | 39.4 | Very low | 37.5 | Very low | 140 Ų | 140 | 155.5 Ų | 155.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -60.3 | 112.3 | 136.2 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 528 | G | 36.8 | Very low | 38.1 | Very low | 57 Ų | 57 | 153 Ų | 153 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | | | trans | -99 | 119.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F526 | F526-G528 PolarHBondContact O-N 3.41Š|
| 529 | D | 33.8 | Very low | 37.8 | Very low | 153 Ų | 153 | 155.4 Ų | 155.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -70.7 | 126 | 170.1 | -60.5 | -59.5 | 0 | 0 | 0 | 110.2 | | |
| 530 | Y | 36.6 | Very low | 37.8 | Very low | 222 Ų | 222 | 153.5 Ų | 153.5 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | -137.4 | 98.7 | 169.8 | -87.9 | -78.6 | 0 | 0 | 0 | 111 | | |
| 531 | T | 35.7 | Very low | 37.7 | Very low | 116 Ų | 116 | 151.3 Ų | 151.3 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | -68.1 | 138.1 | 166.5 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 532 | Y | 40.7 | Very low | 38.2 | Very low | 231 Ų | 231 | 146.2 Ų | 146.2 | 91% | 0.906 | 78% | 0.779 | S | S | * | * | | | trans | -141.4 | 148.3 | 158 | -129.9 | -94.8 | 0 | 0 | 0 | 110.2 | | |
| 533 | E | 40.8 | Very low | 38.3 | Very low | 140 Ų | 140 | 148.1 Ų | 148.1 | 65% | 0.654 | 78% | 0.784 | S | S | * | * | | | trans | -104.3 | 170.8 | -155.7 | -88.1 | -72.5 | -178.3 | 0 | 0 | 115.3 | | |
| 534 | N | 40.5 | Very low | 38.6 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | 75.8 | 136 | 172.5 | -40.1 | -78.3 | 0 | 0 | 0 | 114.4 | | |
| 535 | E | 41.4 | Very low | 38.9 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | | | cis | -139 | 176 | 36.7 | -102.9 | -158.8 | 154.7 | 0 | 0 | 114.8 | | |
| 536 | P | 41.2 | Very low | 39.5 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 165.5 | -152.6 | 35.5 | -38.1 | 0 | 0 | 0 | 118.5 | | |
| 537 | K | 37 | Very low | 39.6 | Very low | 179 Ų | 179 | 147 Ų | 147 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 154.8 | 177.7 | -57.2 | 171.9 | 179.9 | 171.7 | 0 | 113.9 | | |
| 538 | P | 47.5 | Very low | 39.6 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 156.5 | 139.1 | 34.3 | -30 | 0 | 0 | 0 | 112.3 | | |
| 539 | F | 34.9 | Very low | 40 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | | | trans | -108.6 | 138.8 | -175.9 | -96.3 | -104.9 | 0 | 0 | 0 | 113.5 | | |
| 540 | T | 39 | Very low | 40.3 | Very low | 136 Ų | 136 | 153.9 Ų | 153.9 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | -164.1 | 118.4 | 141.4 | 41.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 541 | C | 33.4 | Very low | 40.3 | Very low | 118 Ų | 118 | 152 Ų | 152 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | | 56 | 123.8 | 78.7 | -132.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 542 | T | 43.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | cis | -145.5 | 163.1 | 27.9 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 543 | D | 39.9 | Very low | 40.1 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 77% | 0.769 | S | S | * | * | | | trans | 37.9 | 149.3 | 145.2 | -53.7 | -37.8 | 0 | 0 | 0 | 123 | | |
| 544 | E | 42.4 | Very low | 39.9 | Very low | 163 Ų | 163 | 150 Ų | 150 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | cis | -126.6 | 170.2 | 7.5 | -73.3 | -169.2 | 166.4 | 0 | 0 | 112.9 | | |
| 545 | V | 41.2 | Very low | 39.7 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 77% | 0.767 | S | S | * | * | | | trans | -109.2 | 126.3 | 178.2 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 546 | K | 45.6 | Very low | 39.7 | Very low | 191 Ų | 191 | 145.2 Ų | 145.2 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | | | trans | -153.8 | 94.3 | 164.9 | -109.8 | 164.1 | -167.4 | 149.9 | 0 | 113.4 | | |
| 547 | P | 39.3 | Very low | 39.6 | Very low | 92 Ų | 92 | 147.6 Ų | 147.6 | 60% | 0.597 | 77% | 0.766 | S | S | * | * | | | trans | -96.7 | -179.3 | 172.5 | 33.9 | -28 | 0 | 0 | 0 | 113.1 | | |
| 548 | H | 40.1 | Very low | 39.6 | Very low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | 71.3 | 102.1 | 173.3 | -54.7 | -75.2 | 0 | 0 | 0 | 118.9 | | |
| 549 | K | 45.4 | Very low | 39.1 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 94% | 0.943 | 77% | 0.768 | S | S | * | * | | | | -138.9 | 142.5 | 111.3 | -106.8 | 172.3 | -176.8 | 177.2 | 0 | 109.4 | | |
| 550 | L | 40.1 | Very low | 39.1 | Very low | 120 Ų | 120 | 143.9 Ų | 143.9 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | | | trans | -126.1 | 156.1 | -169.8 | -101.3 | 158.1 | 0 | 0 | 0 | 110.2 | | |
| 551 | F | 35.8 | Very low | 38.9 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | 70.3 | 156.2 | 168.4 | -52.8 | -58.2 | 0 | 0 | 0 | 117.9 | | |
| 552 | P | 41.2 | Very low | 39 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | | | cis | -133.7 | 166.4 | -31.1 | 31.9 | -14 | 0 | 0 | 0 | 115.2 | | |
| 553 | S | 30.9 | Very low | 38.6 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -33.6 | 130.1 | 169.2 | 174.6 | 0 | 0 | 0 | 0 | 117.1 | | |
| 554 | Y | 36.6 | Very low | 38.4 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 89% | 0.886 | 75% | 0.753 | S | S | * | * | | | trans | -143.1 | 86.7 | 152.8 | -105.2 | -82 | 0 | 0 | 0 | 113.2 | | |
| 555 | N | 38.2 | Very low | 37.8 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 50% | 0.497 | 76% | 0.761 | S | S | . | * | | | trans | 35.1 | 106.8 | 137.2 | 177.3 | 66.1 | 0 | 0 | 0 | 120.6 | K557 | N555-K557 PolarHBondContact O-N 3Å; N555-K557 WeakPolarHBondContact OD1-CG 3.39Å |
| 556 | P | 40.6 | Very low | 37.6 | Very low | 134 Ų | 134 | 145.5 Ų | 145.5 | 87% | 0.87 | 75% | 0.754 | S | S | * | * | | | trans | -87.3 | 95.4 | 156.3 | 33.8 | -29.5 | 0 | 0 | 0 | 111.3 | | |
| 557 | K | 38.5 | Very low | 37 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -81.5 | 161.2 | 164.8 | -94.8 | 171.6 | -173.1 | 177.9 | 0 | 110.8 | N555 | N555-K557 PolarHBondContact O-N 3Å; N555-K557 WeakPolarHBondContact OD1-CG 3.39Å |
| 558 | S | 36.9 | Very low | 36.9 | Very low | 100 Ų | 100 | 150.4 Ų | 150.4 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | | | trans | 56.2 | 89.3 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 559 | F | 38 | Very low | 36.7 | Very low | 217 Ų | 217 | 152.3 Ų | 152.3 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | | | | -148.2 | 110.6 | 112.2 | -95.8 | -69.8 | 0 | 0 | 0 | 109 | P561 | F559-P561 WeakPolarHBondContact O-CD 3.28Š|
| 560 | S | 33.7 | Very low | 36.2 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | trans | -92.2 | 122.2 | -173.3 | -51.7 | 0 | 0 | 0 | 0 | 111.5 | T562 | S560-T562 WeakPolarHBondContact CB-OG1 3.47Å; S560-T562 PolarHBondContact O-N 3.22Å |
| 561 | P | 35.6 | Very low | 36.1 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 61.6 | 168.3 | 33.6 | -34.6 | 0 | 0 | 0 | 110.1 | F559 I563 | F559-P561 WeakPolarHBondContact O-CD 3.28Å; P561-I563 PolarHBondContact O-N 3.25Å; P561-I563 VanDerWaalsContact O-N 3.13Å |
| 562 | T | 35.1 | Very low | 36.2 | Very low | 100 Ų | 100 | 148.1 Ų | 148.1 | 61% | 0.613 | 77% | 0.767 | S | S | * | * | | | trans | -76.6 | 101 | -172.2 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | S560 | S560-T562 WeakPolarHBondContact CB-OG1 3.47Å; S560-T562 PolarHBondContact O-N 3.22Å |
| 563 | I | 35.7 | Very low | 36 | Very low | 130 Ų | 130 | 146.6 Ų | 146.6 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | trans | 59.7 | 118.4 | 142.9 | -55.9 | 172 | 0 | 0 | 0 | 114.7 | P561 | P561-I563 PolarHBondContact O-N 3.25Å; P561-I563 VanDerWaalsContact O-N 3.13Å |
| 564 | R | 35.5 | Very low | 36.4 | Very low | 212 Ų | 212 | 149.4 Ų | 149.4 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | | -164.4 | 128.1 | 58.7 | -158.3 | 164 | -89 | 164.6 | -8.1 | 111.9 | S566 | R564-S566 VanDerWaalsContact C-N 3.26Å; R564-S566 PolarHBondContact O-N 3.35Å |
| 565 | N | 30.5 | Very low | 36.4 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 94% | 0.936 | 77% | 0.765 | S | S | * | * | | | trans | -78.3 | 74.9 | 163.5 | -92.5 | -31.3 | 0 | 0 | 0 | 109.9 | R567 | N565-R567 PolarHBondContact O-N 2.58Š|
| 566 | S | 37.5 | Very low | 36.1 | Very low | 92 Ų | 92 | 154 Ų | 154 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -74.2 | 87.7 | 174.9 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | R564 E568 | R564-S566 VanDerWaalsContact C-N 3.26Å; R564-S566 PolarHBondContact O-N 3.35Å; S566-E568 PolarHBondContact O-N 2.92Å |
| 567 | R | 31.4 | Very low | 36 | Very low | 241 Ų | 241 | 158.7 Ų | 158.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | trans | -70.9 | 53.5 | 178.7 | -166 | -171.6 | -170.7 | -178.6 | 5.1 | 112.2 | N565 | N565-R567 PolarHBondContact O-N 2.58Š|
| 568 | E | 38.5 | Very low | 35.8 | Very low | 145 Ų | 145 | 158.1 Ų | 158.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -90.4 | 117.1 | -169 | -163.9 | 159.7 | -108.5 | 0 | 0 | 112.4 | S566 M570 | S566-E568 PolarHBondContact O-N 2.92Å; E568-M570 PolarHBondContact O-N 2.99Å |
| 569 | K | 34.4 | Very low | 35.9 | Very low | 197 Ų | 197 | 162 Ų | 162 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -81.1 | 77.3 | -178.1 | -63.8 | 176.1 | -178.4 | 173.3 | 0 | 110.5 | N571 | K569-N571 PolarHBondContact O-N 3.36Š|
| 570 | M | 35.8 | Very low | 35.9 | Very low | 161 Ų | 161 | 156.7 Ų | 156.7 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -62.2 | 127.7 | 176.6 | -74.2 | -161 | 173.2 | 0 | 0 | 111.7 | E568 | E568-M570 PolarHBondContact O-N 2.99Š|
| 571 | N | 37.2 | Very low | 36.3 | Very low | 131 Ų | 131 | 160.5 Ų | 160.5 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -80.5 | 130.7 | -160.3 | -170.7 | 5.4 | 0 | 0 | 0 | 113.1 | K569 S573 | K569-N571 PolarHBondContact O-N 3.36Å; N571-S573 VanDerWaalsContact C-N 3.3Å; N571-S573 PolarHBondContact O-N 3.26Å |
| 572 | T | 38 | Very low | 36.9 | Very low | 139 Ų | 139 | 162.5 Ų | 162.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 69.2 | 179 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | | |
| 573 | S | 37.8 | Very low | 37.2 | Very low | 82 Ų | 82 | 166.8 Ų | 166.8 | 57% | 0.573 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.1 | -29.3 | 173.9 | -67.3 | 0 | 0 | 0 | 0 | 116.4 | N571 R575 | N571-S573 VanDerWaalsContact C-N 3.3Å; N571-S573 PolarHBondContact O-N 3.26Å; S573-R575 PolarHBondContact O-N 3.46Å |
| 574 | N | 39 | Very low | 37.6 | Very low | 165 Ų | 165 | 166.9 Ų | 166.9 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -102.7 | 37.4 | -163.8 | -77.1 | -8 | 0 | 0 | 0 | 116.1 | | |
| 575 | R | 37.2 | Very low | 38 | Very low | 235 Ų | 235 | 165.5 Ų | 165.5 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | | | trans | -132.8 | 51.6 | 171.4 | -156.2 | 176.4 | -178.9 | 175.1 | 0.9 | 113.7 | S573 | S573-R575 PolarHBondContact O-N 3.46Š|
| 576 | M | 32 | Very low | 38.9 | Very low | 181 Ų | 181 | 163.6 Ų | 163.6 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | -120.2 | 81.8 | 167.4 | -70.9 | -144.9 | -55.8 | 0 | 0 | 112.3 | | |
| 577 | R | 38.6 | Very low | 39.3 | Very low | 233 Ų | 233 | 167.1 Ų | 167.1 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -167.8 | 158.9 | 154.7 | -121.7 | 171.3 | 173.1 | 161.2 | -3 | 109.6 | | |
| 578 | M | 34.5 | Very low | 40.2 | Very low | 156 Ų | 156 | 163.2 Ų | 163.2 | 77% | 0.768 | 81% | 0.809 | S | S | * | * | | | trans | 63.8 | 66.1 | 172.1 | -43.4 | -49.1 | -70.2 | 0 | 0 | 117.2 | | |
| 579 | M | 38.2 | Very low | 40.7 | Very low | 181 Ų | 181 | 160.4 Ų | 160.4 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | | | trans | -148.5 | 57.2 | 149.1 | -80.4 | -158.3 | 176.8 | 0 | 0 | 110.8 | | |
| 580 | S | 37.2 | Very low | 41.3 | Very low | 106 Ų | 106 | 159.1 Ų | 159.1 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | | | trans | -93 | 92.5 | 158.3 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 581 | M | 43.5 | Very low | 41.7 | Very low | 174 Ų | 174 | 158.5 Ų | 158.5 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | trans | -92.5 | 109.2 | 162.7 | -61.9 | -164.1 | -49.3 | 0 | 0 | 106.4 | | |
| 582 | E | 48.3 | Very low | 42.1 | Very low | 176 Ų | 176 | 160.3 Ų | 160.3 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | | | trans | -73.4 | 138.6 | 163.6 | -71 | 174.6 | 118.2 | 0 | 0 | 107.8 | N584 | E582-N584 VanDerWaalsContact C-N 3.27Å; E582-N584 PolarHBondContact O-N 3.47Å |
| 583 | E | 39.7 | Very low | 42.2 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -80.1 | 74.6 | -175.6 | -66.8 | 175.4 | 148.5 | 0 | 0 | 110 | E585 | E583-E585 PolarHBondContact O-N 3.24Š|
| 584 | N | 44.6 | Very low | 42.1 | Very low | 133 Ų | 133 | 162 Ų | 162 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | | | trans | -83 | 86.8 | 159.1 | -72 | 10.5 | 0 | 0 | 0 | 107.8 | E582 D586 | E582-N584 VanDerWaalsContact C-N 3.27Å; E582-N584 PolarHBondContact O-N 3.47Å; N584-D586 PolarHBondContact O-N 3.25Å |
| 585 | E | 44.3 | Very low | 42.1 | Very low | 183 Ų | 183 | 159.4 Ų | 159.4 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -78.8 | 96.4 | 157 | -66.3 | -174.2 | 151.7 | 0 | 0 | 106 | E583 | E583-E585 PolarHBondContact O-N 3.24Š|
| 586 | D | 48.4 | Very low | 42 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | -66.1 | 131.7 | 173.2 | -70.7 | -54.8 | 0 | 0 | 0 | 109.1 | N584 D588 | N584-D586 PolarHBondContact O-N 3.25Å; D586-D588 PolarHBondContact O-N 3.47Å |
| 587 | D | 47.8 | Very low | 42.4 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | | | trans | -71.9 | 95.7 | 179.5 | -78 | -58.9 | 0 | 0 | 0 | 110.5 | A589 | D587-A589 PolarHBondContact O-N 3.46Š|
| 588 | D | 48.9 | Very low | 42.2 | Very low | 159 Ų | 159 | 150.3 Ų | 150.3 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | -62.6 | 91.7 | 167.4 | -81.8 | -39.1 | 0 | 0 | 0 | 110.1 | D586 | D586-D588 PolarHBondContact O-N 3.47Š|
| 589 | A | 49.4 | Very low | 42.4 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | | | trans | -90.3 | 99 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | D587 D591 | D587-A589 PolarHBondContact O-N 3.46Å; A589-D591 PolarHBondContact O-N 3.17Å |
| 590 | D | 47.2 | Very low | 42.2 | Very low | 169 Ų | 169 | 149.2 Ų | 149.2 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | | | trans | -63.6 | 95.3 | 170.5 | -70.4 | -46 | 0 | 0 | 0 | 111 | | |
| 591 | D | 44.5 | Very low | 42.2 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -111.3 | 63.3 | 178.1 | -163.5 | 11.7 | 0 | 0 | 0 | 112.1 | A589 N593 | A589-D591 PolarHBondContact O-N 3.17Å; D591-N593 PolarHBondContact O-N 2.99Å |
| 592 | D | 44.9 | Very low | 41.8 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | | | trans | -83.9 | 58.5 | -174.3 | -128.3 | -1 | 0 | 0 | 0 | 113 | | |
| 593 | N | 39.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 65% | 0.652 | 77% | 0.769 | S | S | * | * | | | trans | 23.5 | 116.5 | 135.6 | 177.7 | 16.7 | 0 | 0 | 0 | 118.7 | D591 | D591-N593 PolarHBondContact O-N 2.99Š|
| 594 | N | 37.3 | Very low | 41.4 | Very low | 136 Ų | 136 | 148.3 Ų | 148.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -158.5 | 117.6 | 141.5 | -121.4 | -79.1 | 0 | 0 | 0 | 116.9 | | |
| 595 | N | 37.4 | Very low | 41 | Very low | 110 Ų | 110 | 148.5 Ų | 148.5 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | | | trans | 64.7 | 122.5 | 137.9 | -89 | -27.6 | 0 | 0 | 0 | 123.8 | | |
| 596 | N | 35.4 | Very low | 40.6 | Very low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | 68 | 125.3 | 136 | -53.2 | -27.1 | 0 | 0 | 0 | 119 | | |
| 597 | N | 40.7 | Very low | 39.9 | Very low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | | | cis | -165.2 | 166.5 | 46.8 | -128.4 | -17.8 | 0 | 0 | 0 | 115.8 | | |
| 598 | Y | 33.8 | Very low | 39.1 | Very low | 187 Ų | 187 | 145.9 Ų | 145.9 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | | | trans | -44.9 | 139.3 | 176 | -78.2 | -109.6 | 0 | 0 | 0 | 118.3 | I600 | Y598-I600 HydrophobicContact CD1-CD1 4.23Š|
| 599 | Y | 39.1 | Very low | 38.5 | Very low | 205 Ų | 205 | 147.1 Ų | 147.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | | 179.3 | 107.5 | 107 | -113.9 | -100.5 | 0 | 0 | 0 | 109 | | |
| 600 | I | 34.2 | Very low | 37.6 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 56% | 0.559 | 76% | 0.757 | S | S | * | * | | | | 54.7 | 105.9 | 94.6 | -56.8 | 166.3 | 0 | 0 | 0 | 114.1 | Y598 | Y598-I600 HydrophobicContact CD1-CD1 4.23Š|
| 601 | Q | 38.4 | Very low | 37.1 | Very low | 192 Ų | 192 | 147.5 Ų | 147.5 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | | | | -147.5 | 142.7 | 119.9 | -164 | 159.2 | 15.1 | 0 | 0 | 109.7 | | |
| 602 | E | 34.2 | Very low | 36.4 | Very low | 156 Ų | 156 | 151 Ų | 151 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | | | trans | -91.1 | 158.1 | -170.4 | -64.4 | 155.9 | 144.9 | 0 | 0 | 112.1 | | |
| 603 | N | 39 | Very low | 35.9 | Very low | 148 Ų | 148 | 151.5 Ų | 151.5 | 79% | 0.791 | 75% | 0.747 | S | S | * | * | | | trans | 176.6 | 101 | 132.4 | -88.6 | -5.8 | 0 | 0 | 0 | 111 | | |
| 604 | D | 39.7 | Very low | 35.5 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | trans | 43.7 | 104 | 134.4 | -48.8 | -20.2 | 0 | 0 | 0 | 119.7 | | |
| 605 | N | 37 | Very low | 35.3 | Very low | 138 Ų | 138 | 151.7 Ų | 151.7 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | | -172.8 | 148.9 | 82.2 | -94.7 | -73.5 | 0 | 0 | 0 | 113.6 | | |
| 606 | Y | 35.6 | Very low | 35 | Very low | 193 Ų | 193 | 152 Ų | 152 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | 3.8 | 148.3 | 152.5 | -72.5 | -106.3 | 0 | 0 | 0 | 121.3 | | |
| 607 | Q | 33.5 | Very low | 34.7 | Very low | 162 Ų | 162 | 156.5 Ų | 156.5 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | cis | -174.8 | 118.6 | -24.3 | -141.1 | -169.6 | 72.8 | 0 | 0 | 108.9 | | |
| 608 | G | 32.3 | Very low | 34.6 | Very low | 73 Ų | 73 | 157.6 Ų | 157.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | trans | 62.7 | 170.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 609 | Q | 35.5 | Very low | 34.3 | Very low | 185 Ų | 185 | 159 Ų | 159 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | cis | -143.8 | 152.2 | -32.4 | -90.4 | -152 | 8.5 | 0 | 0 | 109.3 | | |
| 610 | N | 30.3 | Very low | 34.1 | Very low | 152 Ų | 152 | 160.8 Ų | 160.8 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | -99.1 | 134.9 | 169.8 | -81.1 | -44.5 | 0 | 0 | 0 | 110.2 | | |
| 611 | T | 36.1 | Very low | 34.2 | Very low | 112 Ų | 112 | 161.5 Ų | 161.5 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | | | trans | -134.3 | 108.3 | 164.1 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 612 | Y | 30.1 | Very low | 33.8 | Very low | 220 Ų | 220 | 157.7 Ų | 157.7 | 86% | 0.863 | 79% | 0.787 | S | S | * | * | | | trans | -79.3 | 135.3 | 164.4 | -85.7 | -102.1 | 0 | 0 | 0 | 109.4 | | |
| 613 | H | 36 | Very low | 34.1 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | -130.4 | 131.8 | 155.5 | -97.1 | -73.3 | 0 | 0 | 0 | 111.6 | | |
| 614 | N | 29.4 | Very low | 33.9 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -99 | 136.3 | -177.9 | 179.3 | 2.1 | 0 | 0 | 0 | 109.4 | | |
| 615 | T | 33.2 | Very low | 33.6 | Very low | 121 Ų | 121 | 155.1 Ų | 155.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | trans | 164.6 | 129.4 | 131.2 | 35.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 616 | S | 31.5 | Very low | 33.7 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -139.3 | 97.3 | 164.7 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 617 | Y | 29.8 | Very low | 33.7 | Very low | 219 Ų | 219 | 153 Ų | 153 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -120.5 | 100.6 | 166.4 | -81.3 | -82.3 | 0 | 0 | 0 | 108.4 | | |
| 618 | L | 37.9 | Very low | 33.7 | Very low | 168 Ų | 168 | 150.8 Ų | 150.8 | 88% | 0.88 | 80% | 0.801 | S | S | * | * | | | trans | -170.8 | 80.9 | 147.8 | -105.2 | 165.6 | 0 | 0 | 0 | 112.6 | W620 | L618-W620 PolarHBondContact O-N 3.11Š|
| 619 | R | 28.4 | Very low | 34.1 | Very low | 216 Ų | 216 | 155.8 Ų | 155.8 | 82% | 0.815 | 81% | 0.805 | S | S | * | * | | | trans | -16.5 | 120.9 | 147.8 | 172.4 | -161.7 | -176.4 | -154.3 | 5.5 | 114.9 | | |
| 620 | W | 34.7 | Very low | 34.5 | Very low | 243 Ų | 243 | 155.6 Ų | 155.6 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | | | trans | -140.2 | 152.5 | 150.8 | -121.8 | 78.2 | 0 | 0 | 0 | 111.3 | L618 | L618-W620 PolarHBondContact O-N 3.11Š|
| 621 | N | 35.4 | Very low | 34.8 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 66% | 0.663 | 80% | 0.8 | S | S | * | * | | | trans | -90.9 | 142.6 | -172 | -66.3 | -56.9 | 0 | 0 | 0 | 112 | | |
| 622 | S | 29.9 | Very low | 35 | Very low | 112 Ų | 112 | 158 Ų | 158 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -75.2 | 132.3 | 164.8 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 623 | S | 41 | Very low | 35.2 | Very low | 111 Ų | 111 | 156.9 Ų | 156.9 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -131.8 | 137.6 | 162.4 | -72 | 0 | 0 | 0 | 0 | 107 | | |
| 624 | N | 34.8 | Very low | 35.4 | Very low | 149 Ų | 149 | 154.9 Ų | 154.9 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -59.4 | 143.1 | -164.9 | -79.1 | -20.3 | 0 | 0 | 0 | 114.3 | | |
| 625 | P | 33.6 | Very low | 35.9 | Very low | 120 Ų | 120 | 155.3 Ų | 155.3 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -75.4 | 129.7 | 168.9 | 31.9 | -32.8 | 0 | 0 | 0 | 110.3 | | |
| 626 | T | 37.9 | Very low | 36 | Very low | 130 Ų | 130 | 154.7 Ų | 154.7 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -142.5 | 104.3 | 159.6 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | S628 | T626-S628 PolarHBondContact O-N 3.26Š|
| 627 | I | 36.3 | Very low | 36.4 | Very low | 157 Ų | 157 | 153.8 Ų | 153.8 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -8.9 | 113.8 | 169.5 | -59.4 | 166.1 | 0 | 0 | 0 | 114.6 | Q629 | I627-Q629 HydrophobicContact CG2-CG 4.33Š|
| 628 | S | 33.6 | Very low | 37 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -120.2 | 112.6 | 159 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | T626 | T626-S628 PolarHBondContact O-N 3.26Š|
| 629 | Q | 40.2 | Very low | 37 | Very low | 179 Ų | 179 | 146.1 Ų | 146.1 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | | | trans | -76.6 | 143.8 | 174.8 | -71.7 | -171.9 | -13 | 0 | 0 | 110.3 | I627 | I627-Q629 HydrophobicContact CG2-CG 4.33Š|
| 630 | K | 44.8 | Very low | 37.6 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -104.1 | 105.2 | 175.5 | -91.9 | -169.6 | 172.6 | -176.3 | 0 | 111.3 | | |
| 631 | Y | 37 | Very low | 38 | Very low | 204 Ų | 204 | 144 Ų | 144 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | 68.5 | 164.3 | 149.9 | -68.6 | -69.6 | 0 | 0 | 0 | 116.7 | | |
| 632 | P | 39.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 71% | 0.708 | 77% | 0.773 | S | S | * | * | | | cis | -131.6 | 154.3 | 15.7 | 40.9 | -24.1 | 0 | 0 | 0 | 119.5 | | |
| 633 | Y | 35 | Very low | 38.3 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 69.1 | 145.1 | 143.7 | -94.4 | -112.1 | 0 | 0 | 0 | 122.6 | | |
| 634 | N | 38.6 | Very low | 38 | Very low | 139 Ų | 139 | 151.3 Ų | 151.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 70.5 | 139.6 | 155.6 | -73.1 | -13.4 | 0 | 0 | 0 | 118 | | |
| 635 | I | 39.9 | Very low | 38.2 | Very low | 149 Ų | 149 | 151 Ų | 151 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | | | cis | -141.9 | 144.3 | 4.8 | -36.5 | 161.8 | 0 | 0 | 0 | 111.5 | | |
| 636 | S | 36 | Very low | 38.4 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | 72 | 151.9 | 145.5 | -90.3 | 0 | 0 | 0 | 0 | 125.4 | | |
| 637 | S | 40.2 | Very low | 38.5 | Very low | 98 Ų | 98 | 151.4 Ų | 151.4 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 67.9 | 96.4 | 157.2 | -56.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 638 | T | 43.2 | Very low | 38.8 | Very low | 135 Ų | 135 | 152.7 Ų | 152.7 | 83% | 0.828 | 78% | 0.779 | S | S | * | * | | | | 68.3 | 138 | 66.9 | 70.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 639 | S | 38 | Very low | 39 | Very low | 91 Ų | 91 | 152.4 Ų | 152.4 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -171.4 | 154 | -15.7 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 640 | R | 40.6 | Very low | 39.1 | Very low | 222 Ų | 222 | 152.4 Ų | 152.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | 71.9 | 151.5 | 170 | -56.6 | 147.9 | -172.3 | -139.6 | 0.6 | 115.7 | | |
| 641 | K | 41.8 | Very low | 38.8 | Very low | 192 Ų | 192 | 149.4 Ų | 149.4 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | cis | -160.6 | 156.2 | -16.6 | -111.8 | -179 | 178.8 | -170.9 | 0 | 109.1 | | |
| 642 | P | 37.9 | Very low | 39 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | | | trans | -99.4 | -178.7 | 177 | 38.6 | -35.2 | 0 | 0 | 0 | 115.1 | | |
| 643 | Y | 33.6 | Very low | 38.8 | Very low | 201 Ų | 201 | 145.5 Ų | 145.5 | 79% | 0.788 | 77% | 0.769 | S | S | * | * | | | trans | 73 | 133 | -179.5 | -77.2 | -106.1 | 0 | 0 | 0 | 115.2 | | |
| 644 | Y | 36.5 | Very low | 39 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -168.3 | 161.2 | 55.3 | -119.8 | -66.1 | 0 | 0 | 0 | 114.8 | | |
| 645 | N | 39.1 | Very low | 38.9 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 65.3 | 130.8 | 151.3 | -77.2 | -16.2 | 0 | 0 | 0 | 123.7 | | |
| 646 | D | 36.3 | Very low | 38.8 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -72.8 | 146 | 152.5 | -58.3 | -83.9 | 0 | 0 | 0 | 112.6 | | |
| 647 | A | 41.2 | Very low | 38.7 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | -163 | 152.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 648 | M | 40.9 | Very low | 38.7 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | 63 | 108.7 | -179.8 | -57.3 | -177.6 | 176.1 | 0 | 0 | 114.2 | | |
| 649 | S | 38.7 | Very low | 38.5 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | cis | 66.5 | 137.7 | 17.9 | -160.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 650 | Q | 41.9 | Very low | 38.6 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | 79.3 | 144.6 | 176.8 | -59.1 | -166.5 | 70.6 | 0 | 0 | 117.9 | | |
| 651 | V | 39.9 | Very low | 38.5 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | cis | -165.8 | 167.7 | -30.7 | 96.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 652 | T | 39.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | | | trans | 63.6 | 132.6 | 176 | 26.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 653 | T | 37.2 | Very low | 38.6 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | cis | 79.6 | 136.9 | 19.4 | -37.5 | 0 | 0 | 0 | 0 | 115 | | |
| 654 | Q | 37.6 | Very low | 39 | Very low | 171 Ų | 171 | 142 Ų | 142 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | | | trans | 78.9 | 152.1 | -179.1 | -56.4 | -174.7 | 47.3 | 0 | 0 | 115.8 | | |
| 655 | T | 37 | Very low | 39.4 | Very low | 114 Ų | 114 | 140 Ų | 140 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | | | | -163.7 | 171.5 | -58.7 | 12 | 0 | 0 | 0 | 0 | 108.3 | | |
| 656 | T | 37.5 | Very low | 39.6 | Very low | 110 Ų | 110 | 138.8 Ų | 138.8 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | trans | 60.1 | 106.9 | 159.4 | 45.6 | 0 | 0 | 0 | 0 | 120 | | |
| 657 | N | 35.3 | Very low | 39.9 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | | 96.4 | 138.1 | 120.5 | -64.5 | -2.3 | 0 | 0 | 0 | 122 | | |
| 658 | L | 39.2 | Very low | 40.1 | Very low | 130 Ų | 130 | 143 Ų | 143 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | | | trans | 68 | 130.4 | 153.6 | -95.9 | 60.1 | 0 | 0 | 0 | 119.9 | | |
| 659 | E | 39.7 | Very low | 40 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | | | trans | 61.9 | 134.4 | 142.7 | -72.3 | 145.9 | -159 | 0 | 0 | 119.1 | | |
| 660 | D | 38.8 | Very low | 40 | Very low | 139 Ų | 139 | 140.7 Ų | 140.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | cis | -160.6 | -162.9 | -8 | -163.2 | -6.7 | 0 | 0 | 0 | 108.5 | | |
| 661 | T | 39.1 | Very low | 40 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | 95.2 | 80.6 | 162.4 | 73.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 662 | T | 39.2 | Very low | 40 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | | | | 47.3 | 122.5 | 127.1 | 69.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 663 | K | 42.5 | Very low | 40.2 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | | 171.3 | 140.4 | 107.5 | -91.8 | 148.3 | -166.8 | 164.2 | 0 | 113.9 | | |
| 664 | K | 42.4 | Very low | 40.4 | Very low | 192 Ų | 192 | 143 Ų | 143 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 74.2 | 84.2 | 164.2 | -59.4 | 178.9 | -173.8 | -177.2 | 0 | 118.7 | | |
| 665 | N | 44.7 | Very low | 41 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | | 35.8 | 152.3 | 108 | -60.1 | 8.3 | 0 | 0 | 0 | 120.7 | | |
| 666 | P | 42.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | cis | -138.6 | 148 | -31.8 | 36.4 | -19.9 | 0 | 0 | 0 | 113.7 | | |
| 667 | L | 42.4 | Very low | 42.1 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -103.8 | 143.2 | 161.1 | -79 | 172.9 | 0 | 0 | 0 | 110.9 | S669 | L667-S669 PolarHBondContact O-N 3.35Š|
| 668 | L | 46.6 | Very low | 42.9 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -37.2 | 111.9 | -173.7 | -68.1 | 155.7 | 0 | 0 | 0 | 114.3 | T670 | L668-T670 PolarHBondContact O-N 2.95Š|
| 669 | S | 37.6 | Very low | 42.9 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -76.6 | 114.6 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | L667 K671 | L667-S669 PolarHBondContact O-N 3.35Å; S669-K671 VanDerWaalsContact C-N 3.33Å; S669-K671 PolarHBondContact O-N 3.17Å |
| 670 | T | 39.7 | Very low | 43.2 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 83.7 | 168.4 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | L668 S672 | L668-T670 PolarHBondContact O-N 2.95Å; T670-S672 PolarHBondContact O-N 2.91Å |
| 671 | K | 41.4 | Very low | 43.7 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | -68.9 | 117.3 | 165.2 | -85.7 | -168 | 171.7 | -174.1 | 0 | 109.5 | S669 F673 | S669-K671 VanDerWaalsContact C-N 3.33Å; S669-K671 PolarHBondContact O-N 3.17Å; K671-F673 WeakPolarHBondContact O-CE1 3.45Å |
| 672 | S | 41 | Very low | 44.1 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -62 | 136.8 | 164.7 | 38.7 | 0 | 0 | 0 | 0 | 110.4 | T670 | T670-S672 PolarHBondContact O-N 2.91Š|
| 673 | F | 42 | Very low | 44.3 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | | | trans | -114.6 | 105.3 | 163.1 | 14.4 | -92.4 | 0 | 0 | 0 | 106.9 | K671 L675 | K671-F673 WeakPolarHBondContact O-CE1 3.45Å; F673-L675 PolarHBondContact O-N 3.24Å |
| 674 | S | 42.7 | Very low | 44.2 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -66.2 | 125.3 | 165.3 | -57.2 | 0 | 0 | 0 | 0 | 108 | | |
| 675 | L | 50.3 | Low | 44.1 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -103.4 | 110.1 | 163.8 | -75.1 | 170.7 | 0 | 0 | 0 | 106.9 | F673 | F673-L675 PolarHBondContact O-N 3.24Š|
| 676 | D | 50.6 | Low | 43.9 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -61.2 | 136.1 | 172.7 | -70.2 | -54.8 | 0 | 0 | 0 | 109.8 | P678 | D676-P678 WeakPolarHBondContact O-CD 3.49Š|
| 677 | V | 45.5 | Very low | 44 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | -91.6 | 112.6 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 108.2 | R679 | V677-R679 PolarHBondContact O-N 2.81Š|
| 678 | P | 52.7 | Low | 44 | Very low | 108 Ų | 108 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | -67.8 | 124.3 | 174.2 | -16 | 31.5 | 0 | 0 | 0 | 109.4 | D676 | D676-P678 WeakPolarHBondContact O-CD 3.49Š|
| 679 | R | 40.4 | Very low | 43.8 | Very low | 227 Ų | 227 | 142.4 Ų | 142.4 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | | | trans | -68.6 | 138.5 | 157.1 | -75.8 | -177.5 | 174.2 | 171.6 | -2.9 | 108.2 | V677 | V677-R679 PolarHBondContact O-N 2.81Š|
| 680 | F | 45.9 | Very low | 43.9 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | trans | -124.9 | 116.4 | 164.6 | -115.7 | -86 | 0 | 0 | 0 | 108 | | |
| 681 | D | 49.6 | Very low | 44 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -85.2 | 179.8 | 174.7 | -68.9 | -62.5 | 0 | 0 | 0 | 111 | | |
| 682 | Q | 46.1 | Very low | 43.8 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 159.7 | -168.1 | -56.2 | 172.6 | -79.5 | 0 | 0 | 114.3 | | |
| 683 | P | 42.9 | Very low | 43.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | | -129.5 | 155.9 | 97.9 | 41.3 | -34.1 | 0 | 0 | 0 | 111.5 | | |
| 684 | N | 40.6 | Very low | 43.4 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 59% | 0.588 | 77% | 0.773 | S | S | * | * | | | | 56.2 | 130.9 | 59.5 | -75.3 | 52.5 | 0 | 0 | 0 | 111.9 | | |
| 685 | D | 40.3 | Very low | 43.4 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | -158.1 | 177.7 | 10.5 | -119.4 | -39.6 | 0 | 0 | 0 | 113 | | |
| 686 | S | 41.9 | Very low | 43.2 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | 102.7 | 134.9 | 144.7 | 83 | 0 | 0 | 0 | 0 | 122 | | |
| 687 | N | 43.4 | Very low | 42.6 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 64.8 | 106.7 | 153 | -52.9 | -32.8 | 0 | 0 | 0 | 118.5 | | |
| 688 | L | 42 | Very low | 42.2 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | | | | 87.1 | 148 | 62.3 | -76 | 168.3 | 0 | 0 | 0 | 114.5 | | |
| 689 | T | 42.8 | Very low | 41.6 | Very low | 150 Ų | 150 | 138 Ų | 138 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | trans | 71.8 | 141.3 | -169.2 | 75.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 690 | G | 39.5 | Very low | 41.6 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | | | cis | 174.2 | 144.8 | -10.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 691 | S | 42 | Very low | 41.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | 62.9 | 154.2 | -176.7 | 73.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 692 | G | 38.8 | Very low | 40.7 | Very low | 75 Ų | 75 | 127.9 Ų | 127.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | cis | 100.6 | 118 | 9.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 693 | G | 34.8 | Very low | 40.4 | Very low | 76 Ų | 76 | 130 Ų | 130 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | cis | 128.6 | 92.8 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 694 | S | 39.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -178.1 | 145.9 | 163.7 | -85 | 0 | 0 | 0 | 0 | 112 | | |
| 695 | S | 41.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -113.7 | 148.1 | 156.8 | -52.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 696 | P | 45.9 | Very low | 40 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | | -148.7 | 168.7 | 119.5 | 38.3 | -23.7 | 0 | 0 | 0 | 114.2 | | |
| 697 | G | 37.7 | Very low | 39.6 | Very low | 80 Ų | 80 | 139.2 Ų | 139.2 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | 156.5 | 99.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 698 | R | 38.7 | Very low | 39.4 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | -99.4 | 134.4 | 166.9 | -67.5 | -177.7 | 177.2 | -157.7 | 0.8 | 109.5 | | |
| 699 | Y | 40.5 | Very low | 39.3 | Very low | 243 Ų | 243 | 138.6 Ų | 138.6 | 95% | 0.953 | 82% | 0.824 | S | S | * | * | | | trans | -139.4 | 154 | 145.1 | -87.9 | -74.4 | 0 | 0 | 0 | 109.3 | | |
| 700 | S | 38.9 | Very low | 39.2 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | trans | -126.6 | -178.5 | -166 | 49 | 0 | 0 | 0 | 0 | 111.3 | | |
| 701 | E | 40.4 | Very low | 39 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | 77.7 | 136.9 | 161.6 | -152.4 | 159.2 | -134.6 | 0 | 0 | 115.8 | | |
| 702 | G | 35.8 | Very low | 38.8 | Very low | 54 Ų | 54 | 143.9 Ų | 143.9 | 56% | 0.557 | 80% | 0.804 | S | S | * | * | | | cis | 160.9 | 110.4 | -13.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 703 | F | 41.5 | Very low | 38.7 | Very low | 216 Ų | 216 | 149.4 Ų | 149.4 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | | | trans | -139.8 | 136.7 | 169.8 | -79.3 | -74.7 | 0 | 0 | 0 | 112.5 | | |
| 704 | R | 39.8 | Very low | 38.7 | Very low | 225 Ų | 225 | 153.5 Ų | 153.5 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | | | trans | -138.8 | 140.9 | 177.6 | -77 | -167 | -170.6 | -126.3 | 17.3 | 111.5 | | |
| 705 | K | 37.6 | Very low | 38.7 | Very low | 192 Ų | 192 | 153 Ų | 153 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 61.6 | 108.5 | 149 | -66.5 | 176.5 | 173.7 | -175 | 0 | 120.6 | | |
| 706 | S | 37.2 | Very low | 38.7 | Very low | 116 Ų | 116 | 153 Ų | 153 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -153.2 | 125.8 | 132.2 | 50.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 707 | S | 33.3 | Very low | 38.1 | Very low | 110 Ų | 110 | 158.4 Ų | 158.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | cis | 82.3 | 149 | 31 | -158 | 0 | 0 | 0 | 0 | 114.5 | | |
| 708 | V | 39.7 | Very low | 38.2 | Very low | 135 Ų | 135 | 161.2 Ų | 161.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | 67.7 | 137.8 | -168.7 | -144.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 709 | V | 38.9 | Very low | 38.1 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | cis | -128.9 | 162.1 | 23.7 | -169.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 710 | K | 40.4 | Very low | 37.9 | Very low | 172 Ų | 172 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -98.7 | -179.1 | 179.4 | -70.7 | 177.1 | 177.9 | 177.2 | 0 | 113 | | |
| 711 | H | 36.7 | Very low | 37.7 | Very low | 151 Ų | 151 | 148.4 Ų | 148.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | 81.9 | 142.3 | 162.9 | -54 | -82.4 | 0 | 0 | 0 | 115.4 | | |
| 712 | Q | 37.9 | Very low | 37.4 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 60% | 0.603 | 78% | 0.775 | S | S | * | * | | | cis | -159.8 | 167.5 | -4 | -135.4 | 160.6 | -23.3 | 0 | 0 | 113.1 | | |
| 713 | Y | 36.6 | Very low | 37.3 | Very low | 191 Ų | 191 | 151.8 Ų | 151.8 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | 62.3 | 111.3 | 163 | -61.9 | -62.9 | 0 | 0 | 0 | 120.9 | | |
| 714 | L | 34.4 | Very low | 37 | Very low | 161 Ų | 161 | 146 Ų | 146 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -80.3 | 150.8 | 143.2 | -70.6 | 166.9 | 0 | 0 | 0 | 109.6 | | |
| 715 | P | 39.8 | Very low | 37 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | | -126.1 | 126.2 | 115.7 | 11.7 | 7.3 | 0 | 0 | 0 | 110.5 | | |
| 716 | T | 40.5 | Very low | 37 | Very low | 120 Ų | 120 | 142.4 Ų | 142.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | | 71.9 | 108.2 | 86.2 | -55.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 717 | R | 35 | Very low | 37.3 | Very low | 247 Ų | 247 | 142.4 Ų | 142.4 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | | | trans | -10.6 | 117.8 | 169 | -62.2 | 175.7 | 176.3 | 179.9 | -1.9 | 116.5 | | |
| 718 | V | 39.9 | Very low | 37.8 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | | | trans | -126.4 | 127.1 | 155.8 | -174.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 719 | S | 34.6 | Very low | 38.2 | Very low | 92 Ų | 92 | 141.6 Ų | 141.6 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | | | trans | -72.6 | 141 | -179.4 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | S721 | S719-S721 PolarHBondContact O-N 3.06Š|
| 720 | P | 38.3 | Very low | 38.7 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | | | trans | -79 | 55.6 | 179.4 | 33.8 | -36.9 | 0 | 0 | 0 | 112.9 | | |
| 721 | S | 32.8 | Very low | 39.2 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | | | trans | -91 | 137.9 | 165.7 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | S719 | S719-S721 PolarHBondContact O-N 3.06Š|
| 722 | S | 34.1 | Very low | 39.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | | | trans | 68.8 | 36.4 | 176.9 | 70.1 | 0 | 0 | 0 | 0 | 118.3 | S724 | S722-S724 PolarHBondContact O-N 2.94Š|
| 723 | F | 35.3 | Very low | 40.9 | Very low | 200 Ų | 200 | 135.4 Ų | 135.4 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | | | trans | -70.9 | 91.9 | 161.6 | -128.9 | -81.1 | 0 | 0 | 0 | 110.7 | | |
| 724 | S | 34.2 | Very low | 42 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | | | trans | -67.8 | 122.7 | -176.9 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | S722 R726 | S722-S724 PolarHBondContact O-N 2.94Å; S724-R726 PolarHBondContact O-N 3.14Å |
| 725 | P | 40.1 | Very low | 43.6 | Very low | 96 Ų | 96 | 130.8 Ų | 130.8 | 62% | 0.623 | 69% | 0.688 | S | S | * | * | | | trans | -82.6 | 54.2 | -164.7 | 34 | -38.1 | 0 | 0 | 0 | 114.3 | M727 | P725-M727 PolarHBondContact O-N 2.99Š|
| 726 | R | 38.5 | Very low | 44.9 | Very low | 246 Ų | 246 | 132 Ų | 132 | 93% | 0.928 | 68% | 0.682 | S | S | * | * | | | trans | -71.2 | 53.3 | 163.5 | -89.8 | -173.6 | 164.8 | 177.3 | -4 | 111.6 | S724 | S724-R726 PolarHBondContact O-N 3.14Š|
| 727 | M | 43.4 | Very low | 46.3 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 57% | 0.571 | 67% | 0.671 | S | S | * | * | | | trans | -99 | 115.1 | 167.1 | -69.4 | -178.7 | 74.6 | 0 | 0 | 108.9 | P725 D729 K732 | P725-M727 PolarHBondContact O-N 2.99Å; M727-D729 PolarHBondContact O-N 2.94Å; M727-K732 PolarHBondContact O-NZ 3.38Å |
| 728 | N | 43.8 | Very low | 47.8 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 67% | 0.674 | 66% | 0.662 | S | S | * | * | | | trans | -44.2 | 124.9 | -176.5 | -68.1 | -26.9 | 0 | 0 | 0 | 112.5 | S730 W731 | N728-S730 PolarHBondContact O-N 2.91Å; N728-W731 PolarHBondContact O-N 3Å |
| 729 | D | 48 | Very low | 48.9 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 54% | 0.54 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -62.7 | -18.6 | -171.2 | -63.3 | -59.7 | 0 | 0 | 0 | 114 | M727 W731 K732 K733 | M727-D729 PolarHBondContact O-N 2.94Å; D729-W731 PolarHBondContact O-N 3.15Å; D729-K732 PolarHBondContact O-N 3.29Å; D729-K732 IonicContact OD1-NZ 2.7Å; D729-K732 PolarHBondContact OD1-NZ 3.1Å; D729-K733 WeakPolarHBondContact O-CB 3.45Å; D729-K733 WeakPolarHBondContact O-CG 3.12Å; D729-K733 PolarHBondContact O-N 3.27Å |
| 730 | S | 48.5 | Very low | 50.7 | Low | 63 Ų | 63 | 124.1 Ų | 124.1 | 44% | 0.441 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -50 | -40.3 | 167 | -176.8 | 0 | 0 | 0 | 0 | 113 | N728 K734 | N728-S730 PolarHBondContact O-N 2.91Å; S730-K734 WeakPolarHBondContact O-CB 3.25Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.5Å |
| 731 | W | 50.6 | Low | 52.1 | Low | 173 Ų | 173 | 122.8 Ų | 122.8 | 66% | 0.655 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76.3 | -41.5 | -178.7 | -73.3 | 24 | 0 | 0 | 0 | 111.8 | N728 D729 K734 V735 | N728-W731 PolarHBondContact O-N 3Å; D729-W731 PolarHBondContact O-N 3.15Å; W731-K734 PolarHBondContact O-N 3.04Å; W731-V735 WeakPolarHBondContact O-CG2 3.47Å; W731-V735 PolarHBondContact O-N 3.13Å |
| 732 | K | 52.3 | Low | 53.6 | Low | 100 Ų | 100 | 122.3 Ų | 122.3 | 44% | 0.435 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 173 | -65.5 | 174.6 | -168.1 | 150.9 | 0 | 110.9 | M727 D729 V735 F736 | M727-K732 PolarHBondContact O-NZ 3.38Å; D729-K732 PolarHBondContact O-N 3.29Å; D729-K732 IonicContact OD1-NZ 2.7Å; D729-K732 PolarHBondContact OD1-NZ 3.1Å; K732-V735 PolarHBondContact O-N 3.18Å; K732-F736 VanDerWaalsContact O-CB 3.26Å; K732-F736 WeakPolarHBondContact O-CB 3.49Å; K732-F736 PolarHBondContact O-N 3.44Å |
| 733 | K | 57.8 | Low | 55 | Low | 124 Ų | 124 | 122.8 Ų | 122.8 | 54% | 0.539 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -56.1 | -50.3 | 172.6 | -75.2 | 177.6 | 178.1 | -177.7 | 0 | 111.2 | E335 D729 V735 F736 V737 | E335-K733 IonicContact OE1-NZ 3.34Å; D729-K733 WeakPolarHBondContact O-CB 3.45Å; D729-K733 WeakPolarHBondContact O-CG 3.12Å; D729-K733 PolarHBondContact O-N 3.27Å; K733-V735 PolarHBondContact O-N 2.64Å; K733-F736 PolarHBondContact O-N 2.95Å; K733-V737 WeakPolarHBondContact O-CB 3.17Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 3.33Å |
| 734 | K | 60.1 | Low | 56.3 | Low | 147 Ų | 147 | 115.7 Ų | 115.7 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.2 | -43.3 | 179.9 | -79 | -179.7 | 178.3 | -176 | 0 | 113.4 | S730 W731 R738 | S730-K734 WeakPolarHBondContact O-CB 3.25Å; S730-K734 WeakPolarHBondContact O-CG 3.35Å; S730-K734 PolarHBondContact O-N 3.5Å; W731-K734 PolarHBondContact O-N 3.04Å; K734-R738 WeakPolarHBondContact O-CB 3.39Å; K734-R738 PolarHBondContact O-N 3.34Å |
| 735 | V | 67.3 | Low | 57.7 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 66% | 0.655 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.9 | -43.7 | 177 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | W731 K732 K733 R738 A739 | W731-V735 WeakPolarHBondContact O-CG2 3.47Å; W731-V735 PolarHBondContact O-N 3.13Å; K732-V735 PolarHBondContact O-N 3.18Å; K733-V735 PolarHBondContact O-N 2.64Å; V735-R738 PolarHBondContact O-N 3.03Å; V735-A739 WeakPolarHBondContact O-CB 3.39Å; V735-A739 PolarHBondContact O-N 3.32Å |
| 736 | F | 68.2 | Low | 58.9 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 61% | 0.61 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -65.8 | -41.2 | 179.6 | -171.1 | -107.5 | 0 | 0 | 0 | 112.7 | K732 K733 A739 L740 | K732-F736 VanDerWaalsContact O-CB 3.26Å; K732-F736 WeakPolarHBondContact O-CB 3.49Å; K732-F736 PolarHBondContact O-N 3.44Å; K733-F736 PolarHBondContact O-N 2.95Å; F736-A739 PolarHBondContact O-N 3.19Å; F736-L740 HydrophobicContact CD1-CD1 3.8Å; F736-L740 HydrophobicContact CE1-CD1 3.44Å; F736-L740 VanDerWaalsContact CE1-CD1 3.44Å; F736-L740 HydrophobicContact CE1-CG 4.29Å; F736-L740 HydrophobicContact CZ-CD1 4Å; F736-L740 HydrophobicContact CZ-CG 4.46Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 2.99Å |
| 737 | V | 70.2 | Confident | 59.6 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.1 | -42 | 173.7 | 169.8 | 0 | 0 | 0 | 0 | 111.2 | K733 L740 L741 | K733-V737 WeakPolarHBondContact O-CB 3.17Å; K733-V737 VanDerWaalsContact O-CG2 3.3Å; K733-V737 WeakPolarHBondContact O-CG2 3.43Å; K733-V737 PolarHBondContact O-N 3.33Å; V737-L740 PolarHBondContact O-N 2.96Å; V737-L741 WeakPolarHBondContact O-CB 3.34Å; V737-L741 PolarHBondContact O-N 3.3Å |
| 738 | R | 65.5 | Low | 60 | Low | 196 Ų | 196 | 121.2 Ų | 121.2 | 74% | 0.74 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.8 | -41.8 | 176.8 | -166.1 | 172.7 | -174.8 | 169.4 | 1.2 | 111.6 | K734 V735 L741 T742 | K734-R738 WeakPolarHBondContact O-CB 3.39Å; K734-R738 PolarHBondContact O-N 3.34Å; V735-R738 PolarHBondContact O-N 3.03Å; R738-L741 PolarHBondContact O-N 2.9Å; R738-T742 PolarHBondContact O-N 3Å; R738-T742 PolarHBondContact O-OG1 3.48Å |
| 739 | A | 64.5 | Low | 60.8 | Low | 57 Ų | 57 | 121 Ų | 121 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.3 | -43.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V735 F736 T742 Y743 | V735-A739 WeakPolarHBondContact O-CB 3.39Å; V735-A739 PolarHBondContact O-N 3.32Å; F736-A739 PolarHBondContact O-N 3.19Å; A739-T742 PolarHBondContact O-N 3.44Å; A739-Y743 PolarHBondContact O-N 2.98Å |
| 740 | L | 71.1 | Confident | 61.5 | Low | 97 Ų | 97 | 122.1 Ų | 122.1 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.6 | -40.4 | 173.9 | -86.5 | 170.3 | 0 | 0 | 0 | 112.3 | F736 V737 Y743 A744 | F736-L740 HydrophobicContact CD1-CD1 3.8Å; F736-L740 HydrophobicContact CE1-CD1 3.44Å; F736-L740 VanDerWaalsContact CE1-CD1 3.44Å; F736-L740 HydrophobicContact CE1-CG 4.29Å; F736-L740 HydrophobicContact CZ-CD1 4Å; F736-L740 HydrophobicContact CZ-CG 4.46Å; F736-L740 WeakPolarHBondContact O-CB 3.42Å; F736-L740 PolarHBondContact O-N 2.99Å; V737-L740 PolarHBondContact O-N 2.96Å; L740-Y743 PolarHBondContact O-N 2.83Å; L740-A744 WeakPolarHBondContact O-CB 3.48Å; L740-A744 PolarHBondContact O-N 3.02Å |
| 741 | L | 67.4 | Low | 62.2 | Low | 100 Ų | 100 | 125.3 Ų | 125.3 | 52% | 0.524 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.4 | -43.1 | 178.4 | -158.3 | 76.1 | 0 | 0 | 0 | 111 | V737 R738 A744 F745 | V737-L741 WeakPolarHBondContact O-CB 3.34Å; V737-L741 PolarHBondContact O-N 3.3Å; R738-L741 PolarHBondContact O-N 2.9Å; L741-A744 PolarHBondContact O-N 3.46Å; L741-F745 WeakPolarHBondContact O-CB 3.49Å; L741-F745 PolarHBondContact O-N 3.13Å |
| 742 | T | 65.6 | Low | 62.9 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 173.1 | -60.8 | 0 | 0 | 0 | 0 | 112 | R738 A739 F745 I746 | R738-T742 PolarHBondContact O-N 3Å; R738-T742 PolarHBondContact O-OG1 3.48Å; A739-T742 PolarHBondContact O-N 3.44Å; T742-F745 PolarHBondContact O-N 2.93Å; T742-I746 HydrophobicContact CG2-CD1 3.97Å; T742-I746 WeakPolarHBondContact O-CD1 3.5Å; T742-I746 WeakPolarHBondContact O-CG1 3.16Å; T742-I746 PolarHBondContact O-N 3.05Å |
| 743 | Y | 62.2 | Low | 63.5 | Low | 131 Ų | 131 | 123.9 Ų | 123.9 | 51% | 0.514 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -66.7 | -41.3 | 178 | -146.7 | -76.6 | 0 | 0 | 0 | 111.8 | A739 L740 F745 I746 E747 | A739-Y743 PolarHBondContact O-N 2.98Å; L740-Y743 PolarHBondContact O-N 2.83Å; Y743-F745 VanDerWaalsContact C-N 3.27Å; Y743-F745 PolarHBondContact O-N 2.9Å; Y743-I746 PolarHBondContact O-N 3.44Å; Y743-I746 VanDerWaalsContact O-N 3.1Å; Y743-E747 HydrophobicContact CD1-CG 4.2Å; Y743-E747 HydrophobicContact CE1-CG 4.19Å; Y743-E747 PolarHBondContact O-N 3.48Å |
| 744 | A | 63.2 | Low | 63.9 | Low | 51 Ų | 51 | 123.9 Ų | 123.9 | 42% | 0.421 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.5 | -23.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L740 L741 I746 | L740-A744 WeakPolarHBondContact O-CB 3.48Å; L740-A744 PolarHBondContact O-N 3.02Å; L741-A744 PolarHBondContact O-N 3.46Å; A744-I746 VanDerWaalsContact C-N 3.29Å |
| 745 | F | 62.8 | Low | 64.2 | Low | 169 Ų | 169 | 122.3 Ų | 122.3 | 74% | 0.741 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 2.5 | 172.8 | -130.1 | -84.4 | 0 | 0 | 0 | 113.4 | L741 T742 Y743 | L741-F745 WeakPolarHBondContact O-CB 3.49Å; L741-F745 PolarHBondContact O-N 3.13Å; T742-F745 PolarHBondContact O-N 2.93Å; Y743-F745 VanDerWaalsContact C-N 3.27Å; Y743-F745 PolarHBondContact O-N 2.9Å |
| 746 | I | 65.4 | Low | 64 | Low | 127 Ų | 127 | 123.4 Ų | 123.4 | 65% | 0.651 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -15.4 | 175.5 | -66.6 | 167.2 | 0 | 0 | 0 | 110.9 | T742 Y743 A744 | T742-I746 HydrophobicContact CG2-CD1 3.97Å; T742-I746 WeakPolarHBondContact O-CD1 3.5Å; T742-I746 WeakPolarHBondContact O-CG1 3.16Å; T742-I746 PolarHBondContact O-N 3.05Å; Y743-I746 PolarHBondContact O-N 3.44Å; Y743-I746 VanDerWaalsContact O-N 3.1Å; A744-I746 VanDerWaalsContact C-N 3.29Å |
| 747 | E | 54.8 | Low | 63.6 | Low | 149 Ų | 149 | 122.1 Ų | 122.1 | 70% | 0.696 | 61% | 0.609 | S | S | * | * | | | trans | -96.1 | 10.9 | 170.8 | -69 | -171.4 | 151.5 | 0 | 0 | 113.6 | Y743 | Y743-E747 HydrophobicContact CD1-CG 4.2Å; Y743-E747 HydrophobicContact CE1-CG 4.19Å; Y743-E747 PolarHBondContact O-N 3.48Å |
| 748 | Q | 50.8 | Low | 63 | Low | 224 Ų | 224 | 125.6 Ų | 125.6 | 100% | 1.047 | 62% | 0.619 | S | S | * | * | | | trans | -118.5 | 0 | 169.7 | -70.6 | -170.6 | 13.8 | 0 | 0 | 110.6 | | |