| 1 | M | 41.6 | Very low | 46.1 | Very low | 218 Ų | 218 | 141.6 Ų | 141.6 | 100% | 1.074 | 81% | 0.809 | S | S | * | * | | | | 0 | 123 | 0 | -59.2 | 84.3 | 80.5 | 0 | 0 | 107 | | |
| 2 | W | 38.6 | Very low | 45.5 | Very low | 246 Ų | 246 | 142.4 Ų | 142.4 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | | | | 71 | 123.2 | 57 | -67 | 36.4 | 0 | 0 | 0 | 110.5 | | |
| 3 | S | 45.4 | Very low | 44.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | cis | -141.9 | 157.6 | 12.8 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 4 | T | 42.6 | Very low | 44.6 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | | | trans | -99.1 | 155.8 | 174.6 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 5 | G | 48.7 | Very low | 44.3 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | -131.3 | 129.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 6 | P | 53.2 | Low | 44.1 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -113.5 | 172.8 | -164.1 | 42.1 | -36.8 | 0 | 0 | 0 | 116.9 | | |
| 7 | E | 44.3 | Very low | 43.8 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 67% | 0.673 | 81% | 0.81 | S | S | * | * | | | trans | 52.7 | 130.4 | 160.4 | -72.7 | -169.4 | 90.3 | 0 | 0 | 119.4 | R9 | E7-R9 IonicContact OE1-CZ 3.19Å; E7-R9 IonicContact OE1-NE 2.83Å; E7-R9 PolarHBondContact OE1-NE 3.14Å; E7-R9 IonicContact OE1-NH2 2.71Å; E7-R9 PolarHBondContact OE1-NH2 3.11Å |
| 8 | A | 46.1 | Very low | 43.5 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | | -173.3 | 167.4 | 63.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 9 | R | 48.6 | Very low | 43.6 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 73% | 0.728 | 81% | 0.812 | S | S | * | * | | | cis | -164.1 | 162.1 | -18 | -101.1 | -79.2 | 172 | 159.1 | -2.1 | 107.1 | E7 | E7-R9 IonicContact OE1-CZ 3.19Å; E7-R9 IonicContact OE1-NE 2.83Å; E7-R9 PolarHBondContact OE1-NE 3.14Å; E7-R9 IonicContact OE1-NH2 2.71Å; E7-R9 PolarHBondContact OE1-NH2 3.11Å |
| 10 | D | 43.5 | Very low | 43.4 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | | | trans | -76.5 | 167.7 | -168.6 | -43.7 | -87.5 | 0 | 0 | 0 | 116.6 | | |
| 11 | G | 54.6 | Low | 43.1 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 178.2 | 99.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 12 | D | 38.2 | Very low | 42.9 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 81% | 0.807 | 80% | 0.804 | S | S | * | * | | | trans | -107.3 | 150.3 | -172 | -85.3 | -48.8 | 0 | 0 | 0 | 115.9 | | |
| 13 | S | 37.6 | Very low | 43 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 68.5 | 165.6 | 161.3 | 85 | 0 | 0 | 0 | 0 | 117.2 | | |
| 14 | S | 41.2 | Very low | 42.9 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | cis | -149.6 | 173.8 | 7.4 | -143.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 15 | V | 40.2 | Very low | 42.7 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | -77.6 | 159.3 | -176 | -66.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 16 | S | 40.5 | Very low | 42.3 | Very low | 122 Ų | 122 | 125.2 Ų | 125.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | | -174.5 | 174 | 114.8 | -154.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 17 | S | 40.2 | Very low | 41.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | trans | -91.6 | 160.8 | -161.3 | -64.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 18 | G | 37 | Very low | 41.6 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -142 | 134.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 19 | R | 46.8 | Very low | 41.4 | Very low | 221 Ų | 221 | 130.4 Ų | 130.4 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -129.9 | 128.4 | -175.1 | -74.1 | 178 | 170.8 | -117.3 | 5 | 112.8 | | |
| 20 | L | 39.1 | Very low | 40.9 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | | | trans | -151 | 103.5 | 147.8 | -69.9 | -179.2 | 0 | 0 | 0 | 107.1 | | |
| 21 | S | 37.7 | Very low | 40.7 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 82% | 0.818 | S | S | * | * | | | | 61.1 | 92.7 | 71.6 | -65.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 22 | C | 36.6 | Very low | 40 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | | | trans | -155.9 | 121 | 146.2 | -100.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 23 | S | 40.5 | Very low | 39.9 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -127.2 | 157.1 | -178.7 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 24 | S | 42.9 | Very low | 40 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | 170 | 138.8 | 136.7 | -174.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 25 | G | 39.4 | Very low | 40 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | | | trans | 69.4 | 120.2 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 26 | G | 39.9 | Very low | 40.3 | Very low | 71 Ų | 71 | 142.1 Ų | 142.1 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | cis | 109 | 78.2 | -5.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 27 | H | 42.3 | Very low | 41 | Very low | 185 Ų | 185 | 141.5 Ų | 141.5 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -159.6 | 125.4 | 155.6 | -118.1 | 63.9 | 0 | 0 | 0 | 112.2 | | |
| 28 | D | 40.9 | Very low | 41.6 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 87% | 0.872 | 81% | 0.813 | S | S | * | * | | | trans | -83.5 | 139.7 | 166.3 | -89 | -57.6 | 0 | 0 | 0 | 110.8 | | |
| 29 | V | 41.5 | Very low | 42.2 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | trans | -137.7 | 106.7 | 163 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | V31 | V29-V31 HydrophobicContact CG1-CG2 3.89Å; V29-V31 PolarHBondContact O-N 2.71Å |
| 30 | C | 38.7 | Very low | 42.1 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 91% | 0.912 | 81% | 0.81 | S | S | * | * | | | trans | -70.7 | 112.9 | 169.9 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 31 | V | 38.1 | Very low | 42.7 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | | | trans | -107.7 | 125.6 | 176.8 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | V29 | V29-V31 HydrophobicContact CG1-CG2 3.89Å; V29-V31 PolarHBondContact O-N 2.71Å |
| 32 | S | 41.5 | Very low | 43.4 | Very low | 98 Ų | 98 | 139.5 Ų | 139.5 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | | | trans | -68.9 | 136.6 | -173.4 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | K34 | S32-K34 PolarHBondContact O-N 2.83Š|
| 33 | W | 34.8 | Very low | 43.9 | Very low | 232 Ų | 232 | 137.9 Ų | 137.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -68.1 | 82.7 | 178.3 | 48 | -85.6 | 0 | 0 | 0 | 113.2 | | |
| 34 | K | 40.9 | Very low | 44.1 | Very low | 191 Ų | 191 | 140.9 Ų | 140.9 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | trans | -156.7 | 60 | 174 | -126.3 | 172.4 | -169.8 | 177.8 | 0 | 116.9 | S32 | S32-K34 PolarHBondContact O-N 2.83Š|
| 35 | E | 41.1 | Very low | 44.2 | Very low | 193 Ų | 193 | 143.3 Ų | 143.3 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -123.4 | 142.3 | 158 | -162.5 | 170.1 | -162.8 | 0 | 0 | 111.8 | | |
| 36 | R | 45.4 | Very low | 44.7 | Very low | 213 Ų | 213 | 150.5 Ų | 150.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | | | trans | -107 | 113.2 | -170.3 | -166.4 | -175.1 | -148.7 | 163.7 | 6.5 | 108.5 | | |
| 37 | P | 54.9 | Low | 45.2 | Very low | 110 Ų | 110 | 153.3 Ų | 153.3 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | trans | -54.6 | 138.7 | 179.9 | -27.2 | 34.9 | 0 | 0 | 0 | 111.5 | Q39 | P37-Q39 PolarHBondContact O-N 3.43Š|
| 38 | P | 53.5 | Low | 45.8 | Very low | 115 Ų | 115 | 154.9 Ų | 154.9 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -59.4 | 139.7 | 179.2 | 24.4 | -33.6 | 0 | 0 | 0 | 110.1 | V40 | P38-V40 VanDerWaalsContact C-N 3.31Å; P38-V40 PolarHBondContact O-N 3.36Å |
| 39 | Q | 49.9 | Very low | 46.7 | Very low | 172 Ų | 172 | 157.7 Ų | 157.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -69.6 | 83.6 | -173.9 | -66.9 | 177.4 | -1.3 | 0 | 0 | 111.4 | P37 L41 | P37-Q39 PolarHBondContact O-N 3.43Å; Q39-L41 PolarHBondContact O-N 2.97Å |
| 40 | V | 44.6 | Very low | 47.9 | Very low | 132 Ų | 132 | 154.9 Ų | 154.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -64.4 | 108.1 | 168.3 | 179 | 0 | 0 | 0 | 0 | 107.7 | P38 G42 | P38-V40 VanDerWaalsContact C-N 3.31Å; P38-V40 PolarHBondContact O-N 3.36Å; V40-G42 PolarHBondContact O-N 3.33Å |
| 41 | L | 51.9 | Low | 50 | Low | 172 Ų | 172 | 153.1 Ų | 153.1 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | | | trans | -64.6 | 84.4 | 172.9 | -78.4 | 163.4 | 0 | 0 | 0 | 109.7 | Q39 | Q39-L41 PolarHBondContact O-N 2.97Š|
| 42 | G | 51.8 | Low | 52.4 | Low | 49 Ų | 49 | 151 Ų | 151 | 51% | 0.505 | 76% | 0.761 | S | S | . | * | | | trans | -55.5 | 152.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | V40 Q44 | V40-G42 PolarHBondContact O-N 3.33Å; G42-Q44 PolarHBondContact O-N 3.12Å |
| 43 | P | 46.8 | Very low | 54.6 | Low | 105 Ų | 105 | 155.8 Ų | 155.8 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 116.3 | -174.4 | 23.6 | -33.7 | 0 | 0 | 0 | 110.3 | Q45 | P43-Q45 PolarHBondContact O-N 3.09Š|
| 44 | Q | 45.9 | Very low | 57.2 | Low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | | | trans | -43.2 | 110.3 | 179.6 | -175.1 | -174.2 | 44.3 | 0 | 0 | 109.8 | G42 R46 | G42-Q44 PolarHBondContact O-N 3.12Å; Q44-R46 PolarHBondContact O-N 3.16Å |
| 45 | Q | 43.8 | Very low | 59.6 | Low | 174 Ų | 174 | 141.9 Ų | 141.9 | 81% | 0.813 | 71% | 0.714 | S | S | * | * | | | trans | -62.2 | 127 | 177.7 | -67.1 | -162.8 | 14 | 0 | 0 | 107.7 | P43 | P43-Q45 PolarHBondContact O-N 3.09Š|
| 46 | R | 51.4 | Low | 62.1 | Low | 227 Ų | 227 | 138.3 Ų | 138.3 | 86% | 0.857 | 70% | 0.697 | S | S | * | * | | | trans | -53.7 | 141.9 | 172.7 | -73.8 | -174.9 | 172.9 | -171.5 | -2.8 | 108.5 | Q44 R48 | Q44-R46 PolarHBondContact O-N 3.16Å; R46-R48 PolarHBondContact O-N 3.24Å |
| 47 | P | 49.5 | Very low | 64.4 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 84% | 0.844 | 68% | 0.682 | S | S | * | * | | | trans | -56.7 | 101.3 | 172.5 | -23.2 | 33.7 | 0 | 0 | 0 | 109.8 | | |
| 48 | R | 55.6 | Low | 66.3 | Low | 219 Ų | 219 | 132.6 Ų | 132.6 | 83% | 0.826 | 67% | 0.668 | S | S | * | * | | | trans | -63.3 | 136.4 | 152.9 | -73.7 | -175.6 | 169.4 | -164.1 | -3.4 | 105.3 | R46 S50 | R46-R48 PolarHBondContact O-N 3.24Å; R48-S50 PolarHBondContact O-N 2.88Å |
| 49 | K | 59.3 | Low | 68.2 | Low | 221 Ų | 221 | 130.6 Ų | 130.6 | 96% | 0.961 | 65% | 0.651 | S | S | * | * | | | trans | -49.8 | 102.5 | 174.3 | -63.5 | -177.1 | 177.6 | -172.8 | 0 | 108.1 | | |
| 50 | S | 66.1 | Low | 70.4 | Confident | 55 Ų | 55 | 128.5 Ų | 128.5 | 39% | 0.385 | 64% | 0.639 | S | S | . | * | | | trans | -91 | 140.4 | 177.9 | 38.1 | 0 | 0 | 0 | 0 | 109 | R48 A52 E55 | R48-S50 PolarHBondContact O-N 2.88Å; S50-A52 PolarHBondContact O-N 3.39Å; S50-E55 VanDerWaalsContact CB-OE2 3.25Å; S50-E55 WeakPolarHBondContact CB-OE2 3.39Å; S50-E55 PolarHBondContact OG-OE2 2.94Å |
| 51 | D | 83.1 | Confident | 72.7 | Confident | 98 Ų | 98 | 126.7 Ų | 126.7 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | | | trans | -53.3 | 125.9 | 167.9 | 169.4 | 9.8 | 0 | 0 | 0 | 109 | R53 L54 E55 | D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.34Å; D51-R53 PolarHBondContact OD1-N 2.99Å; D51-L54 HydrophobicContact CB-CB 4.05Å; D51-L54 WeakPolarHBondContact O-CA 3.43Å; D51-L54 WeakPolarHBondContact O-CB 3.39Å; D51-L54 PolarHBondContact O-N 3.12Å; D51-E55 PolarHBondContact O-N 3.27Å |
| 52 | A | 88.4 | Confident | 74.7 | Confident | 78 Ų | 78 | 125.5 Ų | 125.5 | 65% | 0.645 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -58.3 | -30.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S50 E55 Q56 | S50-A52 PolarHBondContact O-N 3.39Å; A52-E55 PolarHBondContact O-N 2.97Å; A52-Q56 WeakPolarHBondContact O-CB 3.5Å; A52-Q56 PolarHBondContact O-N 3.32Å |
| 53 | R | 88.3 | Confident | 76.5 | Confident | 197 Ų | 197 | 125.7 Ų | 125.7 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.7 | -35.3 | 175 | -163.8 | -178.6 | -175.6 | -154 | 3 | 112 | D51 L57 | D51-R53 PolarHBondContact O-N 3.23Å; D51-R53 VanDerWaalsContact OD1-CB 3.23Å; D51-R53 WeakPolarHBondContact OD1-CB 3.34Å; D51-R53 PolarHBondContact OD1-N 2.99Å; R53-L57 WeakPolarHBondContact O-CB 3.22Å; R53-L57 PolarHBondContact O-N 2.72Å |
| 54 | L | 90.2 | Very high | 78.6 | Confident | 71 Ų | 71 | 126.8 Ų | 126.8 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.5 | -38.4 | 173 | -179.5 | 63 | 0 | 0 | 0 | 111.7 | D51 L57 R58 | D51-L54 HydrophobicContact CB-CB 4.05Å; D51-L54 WeakPolarHBondContact O-CA 3.43Å; D51-L54 WeakPolarHBondContact O-CB 3.39Å; D51-L54 PolarHBondContact O-N 3.12Å; L54-L57 PolarHBondContact O-N 3.41Å; L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 VanDerWaalsContact O-CG 3.26Å; L54-R58 WeakPolarHBondContact O-CG 3.48Å; L54-R58 PolarHBondContact O-N 2.71Å |
| 55 | E | 90.2 | Very high | 80.4 | Confident | 60 Ų | 60 | 120.9 Ų | 120.9 | 28% | 0.28 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.1 | -44.9 | 174.6 | -143.6 | 64.7 | -152.2 | 0 | 0 | 110.6 | S50 D51 A52 L57 R58 D59 | S50-E55 VanDerWaalsContact CB-OE2 3.25Å; S50-E55 WeakPolarHBondContact CB-OE2 3.39Å; S50-E55 PolarHBondContact OG-OE2 2.94Å; D51-E55 PolarHBondContact O-N 3.27Å; A52-E55 PolarHBondContact O-N 2.97Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.86Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-NH1 3.68Å; E55-R58 IonicContact OE2-CZ 3.54Å; E55-R58 IonicContact OE2-NH1 2.75Å; E55-R58 PolarHBondContact OE2-NH1 3.44Å; E55-D59 PolarHBondContact O-N 2.86Å |
| 56 | Q | 93 | Very high | 82.2 | Confident | 118 Ų | 118 | 121.3 Ų | 121.3 | 55% | 0.551 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.4 | -37.7 | 173.5 | -168 | -172 | 31.2 | 0 | 0 | 113 | A52 D59 K60 | A52-Q56 WeakPolarHBondContact O-CB 3.5Å; A52-Q56 PolarHBondContact O-N 3.32Å; Q56-D59 PolarHBondContact O-N 3.2Å; Q56-K60 PolarHBondContact O-N 3.43Å |
| 57 | L | 95.2 | Very high | 83.3 | Confident | 94 Ų | 94 | 116 Ų | 116 | 49% | 0.492 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.5 | -42.4 | 174.4 | 179.3 | 60.2 | 0 | 0 | 0 | 111.5 | R53 L54 E55 D59 K60 I61 | R53-L57 WeakPolarHBondContact O-CB 3.22Å; R53-L57 PolarHBondContact O-N 2.72Å; L54-L57 PolarHBondContact O-N 3.41Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.86Å; L57-D59 VanDerWaalsContact C-N 3.28Å; L57-D59 PolarHBondContact O-N 2.98Å; L57-K60 PolarHBondContact O-N 3.3Å; L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 4.15Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.15Å |
| 58 | R | 94.9 | Very high | 84.3 | Confident | 110 Ų | 110 | 117 Ų | 117 | 42% | 0.415 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.9 | -39.6 | 172.6 | -72 | 162.4 | 173.2 | 172.8 | -2.7 | 111.3 | L54 E55 I61 R62 | L54-R58 WeakPolarHBondContact O-CD 3.38Å; L54-R58 VanDerWaalsContact O-CG 3.26Å; L54-R58 WeakPolarHBondContact O-CG 3.48Å; L54-R58 PolarHBondContact O-N 2.71Å; E55-R58 WeakPolarHBondContact O-CB 3.39Å; E55-R58 PolarHBondContact O-N 2.86Å; E55-R58 IonicContact OE1-NH1 3.68Å; E55-R58 IonicContact OE2-CZ 3.54Å; E55-R58 IonicContact OE2-NH1 2.75Å; E55-R58 PolarHBondContact OE2-NH1 3.44Å; R58-I61 PolarHBondContact O-N 3.18Å; R58-R62 WeakPolarHBondContact O-CB 3.11Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3.27Å |
| 59 | D | 93.3 | Very high | 84.5 | Confident | 73 Ų | 73 | 108.8 Ų | 108.8 | 39% | 0.39 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 176.7 | -78 | -34.2 | 0 | 0 | 0 | 113.5 | E55 Q56 L57 I61 R62 A63 | E55-D59 PolarHBondContact O-N 2.86Å; Q56-D59 PolarHBondContact O-N 3.2Å; L57-D59 VanDerWaalsContact C-N 3.28Å; L57-D59 PolarHBondContact O-N 2.98Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.29Å; D59-R62 PolarHBondContact O-N 3.15Å; D59-R62 IonicContact OD1-CZ 2.65Å; D59-R62 IonicContact OD1-NE 3.07Å; D59-R62 PolarHBondContact OD1-NE 3.23Å; D59-R62 IonicContact OD1-NH2 2.82Å; D59-R62 PolarHBondContact OD1-NH2 3.4Å; D59-R62 IonicContact OD2-NH2 3.12Å; D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.7Å |
| 60 | K | 96.2 | Very high | 84.3 | Confident | 128 Ų | 128 | 102 Ų | 102 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.7 | -42.9 | 169.1 | -77.6 | -174.9 | 173.6 | -177 | 0 | 111.8 | Q56 L57 A63 Q64 | Q56-K60 PolarHBondContact O-N 3.43Å; L57-K60 PolarHBondContact O-N 3.3Å; K60-A63 PolarHBondContact O-N 3.17Å; K60-Q64 WeakPolarHBondContact O-CB 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.34Å; K60-Q64 PolarHBondContact O-N 2.68Å |
| 61 | I | 92.7 | Very high | 83.4 | Confident | 94 Ų | 94 | 104.5 Ų | 104.5 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.5 | -66.2 | 165.1 | 0 | 0 | 0 | 111.2 | L57 R58 D59 Q64 A65 | L57-I61 HydrophobicContact CD1-CD1 4.32Å; L57-I61 HydrophobicContact CG-CD1 4.15Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.15Å; R58-I61 PolarHBondContact O-N 3.18Å; D59-I61 VanDerWaalsContact C-N 3.32Å; D59-I61 PolarHBondContact O-N 3.29Å; I61-Q64 PolarHBondContact O-N 2.92Å; I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.81Å |
| 62 | R | 94.2 | Very high | 81.8 | Confident | 146 Ų | 146 | 103.9 Ų | 103.9 | 55% | 0.551 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.2 | -45.3 | 173.6 | -76.3 | -165.7 | -82.3 | -136.7 | 0.5 | 111.5 | R58 D59 A65 W66 | R58-R62 WeakPolarHBondContact O-CB 3.11Å; R58-R62 WeakPolarHBondContact O-CG 3.43Å; R58-R62 PolarHBondContact O-N 3.27Å; D59-R62 PolarHBondContact O-N 3.15Å; D59-R62 IonicContact OD1-CZ 2.65Å; D59-R62 IonicContact OD1-NE 3.07Å; D59-R62 PolarHBondContact OD1-NE 3.23Å; D59-R62 IonicContact OD1-NH2 2.82Å; D59-R62 PolarHBondContact OD1-NH2 3.4Å; D59-R62 IonicContact OD2-NH2 3.12Å; R62-A65 PolarHBondContact O-N 3.05Å; R62-W66 WeakPolarHBondContact O-CB 3.25Å; R62-W66 PolarHBondContact O-N 2.98Å |
| 63 | A | 89.1 | Confident | 79.8 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | D59 K60 W66 Q67 | D59-A63 WeakPolarHBondContact O-CB 3.48Å; D59-A63 PolarHBondContact O-N 2.7Å; K60-A63 PolarHBondContact O-N 3.17Å; A63-W66 PolarHBondContact O-N 3.25Å; A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.38Å; A63-Q67 PolarHBondContact O-N 3.01Å |
| 64 | Q | 90.1 | Very high | 77.5 | Confident | 128 Ų | 128 | 104 Ų | 104 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.3 | -44 | 175 | -76.2 | 175.9 | -39.7 | 0 | 0 | 112 | K60 I61 W66 Q67 Q68 | K60-Q64 WeakPolarHBondContact O-CB 3.24Å; K60-Q64 WeakPolarHBondContact O-CG 3.34Å; K60-Q64 PolarHBondContact O-N 2.68Å; I61-Q64 PolarHBondContact O-N 2.92Å; Q64-W66 VanDerWaalsContact C-N 3.33Å; Q64-W66 PolarHBondContact O-N 3.34Å; Q64-Q67 PolarHBondContact O-N 3.44Å; Q64-Q68 WeakPolarHBondContact O-CB 3.33Å; Q64-Q68 VanDerWaalsContact O-CG 3.24Å; Q64-Q68 WeakPolarHBondContact O-CG 3.46Å; Q64-Q68 PolarHBondContact O-N 2.91Å |
| 65 | A | 84.3 | Confident | 75.3 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 53% | 0.529 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -34.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I61 R62 G69 | I61-A65 VanDerWaalsContact O-CB 3.3Å; I61-A65 WeakPolarHBondContact O-CB 3.39Å; I61-A65 PolarHBondContact O-N 2.81Å; R62-A65 PolarHBondContact O-N 3.05Å; A65-G69 PolarHBondContact O-N 3.25Å |
| 66 | W | 80.6 | Confident | 72.8 | Confident | 182 Ų | 182 | 108 Ų | 108 | 69% | 0.689 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -71.4 | -43.1 | 175.6 | -173.1 | 75.8 | 0 | 0 | 0 | 112.3 | R62 A63 Q64 G69 S70 | R62-W66 WeakPolarHBondContact O-CB 3.25Å; R62-W66 PolarHBondContact O-N 2.98Å; A63-W66 PolarHBondContact O-N 3.25Å; Q64-W66 VanDerWaalsContact C-N 3.33Å; Q64-W66 PolarHBondContact O-N 3.34Å; W66-G69 PolarHBondContact O-N 3.33Å; W66-S70 WeakPolarHBondContact O-CB 3.26Å; W66-S70 PolarHBondContact O-N 3.22Å |
| 67 | Q | 74.2 | Confident | 70.2 | Confident | 115 Ų | 115 | 108.2 Ų | 108.2 | 54% | 0.537 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.4 | -47.8 | 173.9 | -71.1 | -71.6 | -16.2 | 0 | 0 | 111.6 | A63 Q64 G69 S70 C71 | A63-Q67 WeakPolarHBondContact O-CB 3.39Å; A63-Q67 VanDerWaalsContact O-CG 3.29Å; A63-Q67 WeakPolarHBondContact O-CG 3.38Å; A63-Q67 PolarHBondContact O-N 3.01Å; Q64-Q67 PolarHBondContact O-N 3.44Å; Q67-G69 VanDerWaalsContact C-N 3.33Å; Q67-G69 PolarHBondContact O-N 2.84Å; Q67-S70 PolarHBondContact O-N 3.34Å; Q67-C71 PolarHBondContact O-N 2.88Å |
| 68 | Q | 71.1 | Confident | 67.5 | Low | 151 Ų | 151 | 108.1 Ų | 108.1 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -58.9 | -42.8 | 173.2 | -73.8 | -80.9 | -37 | 0 | 0 | 111.9 | Q64 S70 C71 A72 | Q64-Q68 WeakPolarHBondContact O-CB 3.33Å; Q64-Q68 VanDerWaalsContact O-CG 3.24Å; Q64-Q68 WeakPolarHBondContact O-CG 3.46Å; Q64-Q68 PolarHBondContact O-N 2.91Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.46Å; Q68-C71 PolarHBondContact O-N 3.24Å; Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.97Å |
| 69 | G | 59.6 | Low | 64.9 | Low | 48 Ų | 48 | 109.1 Ų | 109.1 | 50% | 0.495 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -65.3 | -30.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | A65 W66 Q67 | A65-G69 PolarHBondContact O-N 3.25Å; W66-G69 PolarHBondContact O-N 3.33Å; Q67-G69 VanDerWaalsContact C-N 3.33Å; Q67-G69 PolarHBondContact O-N 2.84Å |
| 70 | S | 56.5 | Low | 61.9 | Low | 78 Ų | 78 | 110.8 Ų | 110.8 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -71.8 | -35.2 | 177.8 | -163 | 0 | 0 | 0 | 0 | 112.3 | W66 Q67 Q68 | W66-S70 WeakPolarHBondContact O-CB 3.26Å; W66-S70 PolarHBondContact O-N 3.22Å; Q67-S70 PolarHBondContact O-N 3.34Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.46Å |
| 71 | C | 46.2 | Very low | 58.9 | Low | 108 Ų | 108 | 110.1 Ų | 110.1 | 73% | 0.73 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -82.9 | -14.5 | 177.7 | -62.2 | 0 | 0 | 0 | 0 | 114.2 | Q67 Q68 S73 | Q67-C71 PolarHBondContact O-N 2.88Å; Q68-C71 PolarHBondContact O-N 3.24Å; C71-S73 VanDerWaalsContact C-N 3.28Å; C71-S73 PolarHBondContact O-N 3.38Å |
| 72 | A | 49.3 | Very low | 56.2 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 9.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q68 | Q68-A72 WeakPolarHBondContact O-CB 3.26Å; Q68-A72 PolarHBondContact O-N 2.97Å |
| 73 | S | 47.1 | Very low | 53.4 | Low | 101 Ų | 101 | 107.6 Ų | 107.6 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | | | trans | -105.7 | 31.7 | -171.7 | -168.5 | 0 | 0 | 0 | 0 | 114.6 | C71 | C71-S73 VanDerWaalsContact C-N 3.28Å; C71-S73 PolarHBondContact O-N 3.38Å |
| 74 | L | 39.5 | Very low | 51 | Low | 175 Ų | 175 | 115.4 Ų | 115.4 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | | | trans | -133.7 | 95.8 | 173.4 | -71 | 176.2 | 0 | 0 | 0 | 110.8 | | |
| 75 | G | 44.5 | Very low | 48.7 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 72% | 0.722 | 72% | 0.72 | S | S | * | * | | | trans | 153 | 80.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 76 | T | 37.9 | Very low | 46.5 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 90% | 0.896 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 174.1 | 70.1 | 136.9 | 38.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 77 | S | 38.2 | Very low | 44.4 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | | | trans | 177.9 | 141.6 | 146.5 | 39.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 78 | A | 38.3 | Very low | 42.7 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -113.4 | 121.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | S80 | A78-S80 PolarHBondContact O-N 2.92Š|
| 79 | P | 40.3 | Very low | 41.1 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | trans | -82.4 | 93.5 | 161.7 | 32 | -28.6 | 0 | 0 | 0 | 108.7 | | |
| 80 | S | 29.4 | Very low | 39.9 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -90.3 | 154.5 | 162.3 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | A78 | A78-S80 PolarHBondContact O-N 2.92Š|
| 81 | S | 33.4 | Very low | 39 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | 79.3 | 146 | -171.6 | -37.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 82 | A | 37.1 | Very low | 38.5 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | | | cis | 163.2 | 143.2 | -42.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 83 | S | 34.7 | Very low | 38.1 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | 64.5 | 155.9 | 179.2 | 81 | 0 | 0 | 0 | 0 | 114.3 | | |
| 84 | R | 38.7 | Very low | 37.6 | Very low | 217 Ų | 217 | 131.8 Ų | 131.8 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | | | cis | -126.2 | 132.8 | 20.3 | -65.5 | 171.8 | -174.1 | -102.2 | -3.8 | 109.4 | | |
| 85 | L | 42.6 | Very low | 37.7 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | | | | 53.8 | 124 | 86.9 | -55.8 | 167.9 | 0 | 0 | 0 | 111.4 | | |
| 86 | H | 37.8 | Very low | 37.6 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.718 | 77% | 0.769 | S | S | * | * | | | cis | -146.8 | -177.1 | 29.8 | -84.2 | -67.7 | 0 | 0 | 0 | 110.4 | | |
| 87 | K | 37.1 | Very low | 37.6 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | cis | -156.8 | 151.5 | -0.8 | -116.6 | 158.8 | -175.4 | -177.7 | 0 | 104.8 | | |
| 88 | A | 36.9 | Very low | 37.4 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | 47.7 | 138.6 | 74.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 89 | S | 37.4 | Very low | 37.1 | Very low | 107 Ų | 107 | 141.3 Ų | 141.3 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -157.9 | -174.5 | -5.1 | -141.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 90 | T | 35.1 | Very low | 37 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 67% | 0.669 | 74% | 0.743 | S | S | * | * | | | cis | -155.2 | 138.3 | 5.1 | -117.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 91 | L | 38.3 | Very low | 37.6 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 71% | 0.707 | 75% | 0.748 | S | S | * | * | | | | 68.6 | 146.2 | 78.8 | -100.8 | 177 | 0 | 0 | 0 | 117.1 | | |
| 92 | M | 36 | Very low | 37.7 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 74% | 0.739 | 75% | 0.75 | S | S | * | * | | | trans | 70.8 | 117.5 | -178.9 | -46.1 | -50.7 | 172.4 | 0 | 0 | 115.7 | | |
| 93 | L | 40.6 | Very low | 38.3 | Very low | 153 Ų | 153 | 146.1 Ų | 146.1 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | cis | 81.3 | 104.1 | 25.9 | -163.7 | 91.3 | 0 | 0 | 0 | 115.6 | | |
| 94 | R | 35.8 | Very low | 39.1 | Very low | 192 Ų | 192 | 146.5 Ų | 146.5 | 73% | 0.725 | 75% | 0.752 | S | S | * | * | | | | 173.6 | 140.4 | 118.4 | -90.9 | -143.9 | 91.6 | 164.9 | 9.9 | 114.5 | | |
| 95 | R | 42.3 | Very low | 39.4 | Very low | 205 Ų | 205 | 142 Ų | 142 | 77% | 0.774 | 75% | 0.75 | S | S | * | * | | | trans | 65.6 | 160 | 156.9 | -63.3 | 173.2 | -177.3 | -154.5 | 3.4 | 118.2 | | |
| 96 | K | 40.7 | Very low | 39.3 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | cis | -168.2 | 119.7 | -40.7 | -177.8 | -171 | 176.5 | -167.7 | 0 | 109.4 | | |
| 97 | G | 38.6 | Very low | 39.5 | Very low | 65 Ų | 65 | 137.6 Ų | 137.6 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | | | trans | 92.4 | 140 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 98 | Q | 34.6 | Very low | 39.3 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | 61.8 | 145.7 | 150.3 | -70.8 | -174.1 | -78.6 | 0 | 0 | 119.7 | | |
| 99 | E | 32.1 | Very low | 39.2 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | | | cis | -163.9 | 170.1 | -21.5 | -154.6 | 173.1 | 112.1 | 0 | 0 | 110 | | |
| 100 | A | 38.2 | Very low | 39 | Very low | 71 Ų | 71 | 140 Ų | 140 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | | | trans | 77.8 | 133.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 101 | K | 40.7 | Very low | 39.1 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | | | trans | 65.3 | 98.9 | 154 | -64.3 | 165.5 | -176.7 | 176.3 | 0 | 116.9 | | |
| 102 | N | 37.1 | Very low | 39 | Very low | 157 Ų | 157 | 141 Ų | 141 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | | 66.4 | 139.9 | 67.9 | -77.4 | -16.5 | 0 | 0 | 0 | 115.7 | | |
| 103 | P | 49.4 | Very low | 38.9 | Very low | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -121.3 | -109.5 | -127.5 | 23.5 | 1.8 | 0 | 0 | 0 | 116.8 | | |
| 104 | P | 50 | Low | 39 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | trans | -115.8 | -167.2 | -133.1 | 45.7 | -27.7 | 0 | 0 | 0 | 111.8 | | |
| 105 | P | 46.6 | Very low | 39.4 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 77% | 0.77 | S | S | * | * | | | | -144.3 | -173.7 | 67 | 39.2 | -18.7 | 0 | 0 | 0 | 114.7 | | |
| 106 | A | 40 | Very low | 39.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | | | trans | -87.2 | 172.6 | 158.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 107 | P | 42.4 | Very low | 38.8 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | | | | -147.2 | -169.2 | 63 | 41.3 | -20.8 | 0 | 0 | 0 | 115.4 | | |
| 108 | E | 32.7 | Very low | 38.8 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | 42.6 | 122.2 | 149.4 | -73.4 | 163.7 | -139.6 | 0 | 0 | 121.7 | | |
| 109 | C | 33.7 | Very low | 38.7 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 92% | 0.919 | 77% | 0.77 | S | S | * | * | | | | -159.3 | 156.8 | 126.3 | -144.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 110 | S | 34.2 | Very low | 38.9 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -81.4 | 159.9 | 179.9 | -175 | 0 | 0 | 0 | 0 | 113.6 | | |
| 111 | G | 37.3 | Very low | 38.8 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -166.9 | 94 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 112 | F | 36 | Very low | 38.7 | Very low | 199 Ų | 199 | 135.8 Ų | 135.8 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | | | trans | -3.3 | 155.7 | 143.8 | -58.7 | -76.9 | 0 | 0 | 0 | 120.3 | | |
| 113 | S | 34.7 | Very low | 38.8 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | cis | -179.4 | -155.5 | -7.5 | 179.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 114 | I | 41.9 | Very low | 38 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | 102.4 | 106.7 | 152 | -58 | 179.3 | 0 | 0 | 0 | 118.4 | | |
| 115 | L | 44.3 | Very low | 37.5 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 69.5 | 127.5 | 159.5 | -58.5 | 168 | 0 | 0 | 0 | 118 | | |
| 116 | S | 35.7 | Very low | 37 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | cis | 73.8 | 149.4 | 32.4 | -47.8 | 0 | 0 | 0 | 0 | 115 | | |
| 117 | A | 33.8 | Very low | 37 | Very low | 97 Ų | 97 | 139.4 Ų | 139.4 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | | | cis | 179.8 | 130.9 | -29.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 118 | A | 38.8 | Very low | 36.7 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -166.8 | 122.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 119 | E | 33.6 | Very low | 37 | Very low | 153 Ų | 153 | 138.3 Ų | 138.3 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | | | trans | -80.9 | 152.4 | 163.6 | -70.8 | 177 | 88.6 | 0 | 0 | 111.1 | R121 | E119-R121 IonicContact OE1-NE 3.6Š|
| 120 | R | 36.9 | Very low | 37 | Very low | 250 Ų | 250 | 141.3 Ų | 141.3 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | | | trans | -140 | 137.9 | 132.8 | -73.4 | -160.2 | -174.3 | -173.7 | 4.1 | 110.7 | | |
| 121 | R | 35.2 | Very low | 37.1 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | | | trans | -94 | -161.9 | 173.9 | -59.2 | -179.6 | 176.3 | -160.8 | -0.2 | 110.6 | E119 | E119-R121 IonicContact OE1-NE 3.6Š|
| 122 | V | 39.6 | Very low | 37 | Very low | 138 Ų | 138 | 146 Ų | 146 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | trans | 95.8 | 126.2 | 176.5 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 123 | E | 38.5 | Very low | 36.9 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | cis | 171.1 | 165 | -36.4 | 174.7 | 160.1 | -149.4 | 0 | 0 | 106.3 | | |
| 124 | A | 32.9 | Very low | 37.4 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -68.8 | 164.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 125 | K | 39.8 | Very low | 37.1 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | | -171.6 | 156.5 | 64.7 | -85.3 | -172.1 | 176.8 | 176.9 | 0 | 115.7 | | |
| 126 | A | 34.5 | Very low | 36.5 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | 30.1 | 131.6 | 138 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 127 | S | 41.6 | Very low | 36.5 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | | -166.7 | 136.1 | 118.7 | -75.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 128 | H | 35.2 | Very low | 36.5 | Very low | 195 Ų | 195 | 147.9 Ų | 147.9 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | | | cis | 74.9 | 130.3 | 47.5 | -96.9 | 54.6 | 0 | 0 | 0 | 115.7 | | |
| 129 | G | 38.2 | Very low | 36.2 | Very low | 72 Ų | 72 | 150 Ų | 150 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 126.2 | 105.2 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 130 | Q | 34.3 | Very low | 36.2 | Very low | 198 Ų | 198 | 149.7 Ų | 149.7 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | cis | 105.2 | 124.2 | 24 | -169.7 | 171 | -35.1 | 0 | 0 | 112.8 | | |
| 131 | G | 37.2 | Very low | 36.1 | Very low | 68 Ų | 68 | 145.6 Ų | 145.6 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | trans | 138.9 | 101.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 132 | R | 34.2 | Very low | 36.2 | Very low | 209 Ų | 209 | 142.1 Ų | 142.1 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | | | cis | 59 | 130.4 | 48.7 | -89.2 | -168.6 | -169 | -101 | 1.1 | 112.2 | | |
| 133 | E | 34.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 59% | 0.589 | 77% | 0.768 | S | S | * | * | | | cis | -168.9 | 174.3 | -1.2 | -154.7 | 172.6 | 172.8 | 0 | 0 | 112.1 | | |
| 134 | L | 45.4 | Very low | 36.1 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | trans | 68 | 157.4 | 164.2 | -51.4 | 177.5 | 0 | 0 | 0 | 116.6 | | |
| 135 | S | 34.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | cis | -138 | 170.4 | -5.6 | -160.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 136 | R | 32.1 | Very low | 36.2 | Very low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | -88.9 | -167 | -178.3 | -61.9 | 174.5 | 164.8 | -149.5 | -1.6 | 112.6 | | |
| 137 | V | 35.3 | Very low | 36.4 | Very low | 140 Ų | 140 | 145.9 Ų | 145.9 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | 88.9 | 136.3 | 162.4 | -175.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 138 | S | 33.7 | Very low | 36.4 | Very low | 79 Ų | 79 | 148.8 Ų | 148.8 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | | | cis | -168.6 | 174.6 | -27.7 | -165.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 139 | Q | 33.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 32.6 | 119.5 | 145.6 | -76.3 | 152.5 | -39.4 | 0 | 0 | 118.8 | | |
| 140 | H | 33.2 | Very low | 37 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 68% | 0.676 | 77% | 0.769 | S | S | * | * | | | | -174.8 | 151.6 | 63.8 | -97.2 | -51 | 0 | 0 | 0 | 115.4 | | |
| 141 | Q | 34.7 | Very low | 37.2 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | trans | 51.9 | 114 | 140.4 | -59.7 | -177.6 | 34.8 | 0 | 0 | 121.9 | | |
| 142 | V | 38 | Very low | 37.5 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | | | trans | -71.3 | 145.3 | 153 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 143 | P | 41.1 | Very low | 37.8 | Very low | 110 Ų | 110 | 155.6 Ų | 155.6 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | | | trans | -137 | 125.4 | 143.9 | 32.2 | -16.5 | 0 | 0 | 0 | 115.9 | | |
| 144 | V | 33 | Very low | 37.7 | Very low | 116 Ų | 116 | 155.6 Ų | 155.6 | 70% | 0.703 | 79% | 0.789 | S | S | * | * | | | trans | 53.8 | 103.6 | 135.3 | -171.7 | 0 | 0 | 0 | 0 | 118.9 | R146 | V144-R146 HydrophobicContact CG1-CB 4.19Å; V144-R146 PolarHBondContact O-N 2.93Å; V144-R146 VanDerWaalsContact O-N 3.16Å |
| 145 | L | 37.6 | Very low | 37.6 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 93% | 0.932 | 79% | 0.787 | S | S | * | * | | | trans | -76.5 | 98 | 159.6 | -159.8 | 161.1 | 0 | 0 | 0 | 109.2 | | |
| 146 | R | 39.1 | Very low | 37.9 | Very low | 192 Ų | 192 | 153.1 Ų | 153.1 | 73% | 0.725 | 78% | 0.784 | S | S | * | * | | | trans | -81.8 | 115 | -163.4 | -161.5 | -173.7 | -158.1 | -81.2 | 11.1 | 113.5 | V144 | V144-R146 HydrophobicContact CG1-CB 4.19Å; V144-R146 PolarHBondContact O-N 2.93Å; V144-R146 VanDerWaalsContact O-N 3.16Å |
| 147 | E | 37.6 | Very low | 37.9 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -56.1 | 148.7 | 168.5 | -87.5 | -164.3 | 115.4 | 0 | 0 | 112.9 | | |
| 148 | K | 42.7 | Very low | 38.4 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -139.5 | 85.3 | 172.1 | -75.9 | -171.5 | 176.3 | 177.3 | 0 | 111.3 | K150 | K148-K150 PolarHBondContact O-N 3.19Š|
| 149 | P | 37.5 | Very low | 38.9 | Very low | 120 Ų | 120 | 158.7 Ų | 158.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -69.7 | 101.4 | 170.1 | 28.7 | -33.4 | 0 | 0 | 0 | 109.8 | R151 | P149-R151 PolarHBondContact O-N 3.38Š|
| 150 | K | 47.2 | Very low | 39.2 | Very low | 203 Ų | 203 | 158.8 Ų | 158.8 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | trans | -85 | 101.9 | -176.4 | -156 | 174.3 | -172.9 | -178.2 | 0 | 110.6 | K148 V152 | K148-K150 PolarHBondContact O-N 3.19Å; K150-V152 PolarHBondContact O-N 3.19Å |
| 151 | R | 38.3 | Very low | 39.6 | Very low | 234 Ų | 234 | 160.2 Ų | 160.2 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | | | trans | -42.1 | 128.9 | 172.1 | -77.6 | 179.2 | 164.6 | -166.5 | -4.5 | 111.8 | P149 | P149-R151 PolarHBondContact O-N 3.38Š|
| 152 | V | 45 | Very low | 39.7 | Very low | 144 Ų | 144 | 158.8 Ų | 158.8 | 87% | 0.873 | 81% | 0.81 | S | S | * | * | | | trans | -105.3 | 135.7 | 150.3 | 179.6 | 0 | 0 | 0 | 0 | 106.8 | K150 | K150-V152 PolarHBondContact O-N 3.19Š|
| 153 | K | 40.6 | Very low | 40.2 | Very low | 184 Ų | 184 | 157.9 Ų | 157.9 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | | | trans | -80.2 | 145 | -170.3 | -68.5 | 176.5 | 177.2 | 178.1 | 0 | 111.6 | | |
| 154 | S | 31.7 | Very low | 40 | Very low | 125 Ų | 125 | 162 Ų | 162 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -72.2 | 129.4 | 159.3 | 39.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 155 | S | 42.7 | Very low | 40 | Very low | 107 Ų | 107 | 164.7 Ų | 164.7 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | | | trans | -167.5 | 135.9 | 166.6 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 156 | S | 42.2 | Very low | 40.3 | Very low | 103 Ų | 103 | 162 Ų | 162 | 72% | 0.72 | 82% | 0.816 | S | S | * | * | | | cis | -174.3 | 131.5 | -16.7 | 39.7 | 0 | 0 | 0 | 0 | 104.5 | K158 | S156-K158 PolarHBondContact O-N 3.38Å; S156-K158 VanDerWaalsContact O-N 3.17Å |
| 157 | C | 31.5 | Very low | 40 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 118.2 | -176.9 | 42.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 158 | K | 44.7 | Very low | 40 | Very low | 208 Ų | 208 | 155.5 Ų | 155.5 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 126.2 | 163.6 | -92.1 | -82.7 | -175 | 169.8 | 0 | 108.4 | S156 | S156-K158 PolarHBondContact O-N 3.38Å; S156-K158 VanDerWaalsContact O-N 3.17Å |
| 159 | R | 44.9 | Very low | 39.6 | Very low | 226 Ų | 226 | 158.8 Ų | 158.8 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 173.2 | 178.9 | -158.6 | -178.4 | -169.8 | -175.2 | 3.3 | 110 | | |
| 160 | E | 40.9 | Very low | 39.6 | Very low | 152 Ų | 152 | 164.4 Ų | 164.4 | 71% | 0.71 | 83% | 0.83 | S | S | * | * | | | trans | 71.9 | 146.3 | 166.8 | -88.8 | 179.4 | 84.7 | 0 | 0 | 116.9 | | |
| 161 | K | 40.8 | Very low | 39 | Very low | 177 Ų | 177 | 159.5 Ų | 159.5 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | | | cis | -127.6 | 155.4 | 3.1 | -67.6 | -172.8 | 170 | 172.3 | 0 | 112.4 | | |
| 162 | T | 37.7 | Very low | 39.1 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 125.8 | 176.2 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 163 | P | 46.9 | Very low | 39 | Very low | 119 Ų | 119 | 156.4 Ų | 156.4 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143.8 | 158.1 | -8.7 | 27.3 | 0 | 0 | 0 | 110.7 | | |
| 164 | K | 37.3 | Very low | 39.1 | Very low | 198 Ų | 198 | 154.9 Ų | 154.9 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81 | 155.7 | -175.3 | -65.6 | 173.3 | -180 | 174.6 | 0 | 112.6 | P166 | K164-P166 WeakPolarHBondContact O-CD 3.44Š|
| 165 | L | 32.6 | Very low | 39.5 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 132.2 | 167 | -68.4 | 162.1 | 0 | 0 | 0 | 111.7 | | |
| 166 | P | 44.5 | Very low | 39.7 | Very low | 120 Ų | 120 | 160 Ų | 160 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 131.5 | 150.4 | -8.1 | 27 | 0 | 0 | 0 | 109.5 | K164 | K164-P166 WeakPolarHBondContact O-CD 3.44Š|
| 167 | S | 33.1 | Very low | 39.8 | Very low | 104 Ų | 104 | 163.7 Ų | 163.7 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 143.9 | 178.2 | -175 | 0 | 0 | 0 | 0 | 111.6 | R169 | S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 VanDerWaalsContact O-N 3.15Å |
| 168 | P | 36.3 | Very low | 41 | Very low | 124 Ų | 124 | 163.6 Ų | 163.6 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -70.1 | 108.8 | -178.6 | 28.2 | -35.3 | 0 | 0 | 0 | 112.2 | | |
| 169 | R | 34.4 | Very low | 41.3 | Very low | 246 Ų | 246 | 160.4 Ų | 160.4 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | | | trans | -92.1 | 148 | 164.1 | -84.3 | -171.3 | 168.3 | -169.2 | -3.3 | 111.2 | S167 | S167-R169 PolarHBondContact O-N 3.45Å; S167-R169 VanDerWaalsContact O-N 3.15Å |
| 170 | R | 37.6 | Very low | 41.5 | Very low | 239 Ų | 239 | 154.6 Ų | 154.6 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | | | trans | -90.9 | 150.5 | -166.2 | -61.8 | -177.3 | -179.7 | -177.2 | 0.8 | 113.3 | | |
| 171 | A | 35.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | 51.3 | 104 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 172 | A | 41.1 | Very low | 42.8 | Very low | 105 Ų | 105 | 151 Ų | 151 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | | | | -112.7 | 143.8 | 129.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 173 | K | 41.8 | Very low | 43.8 | Very low | 208 Ų | 208 | 150 Ų | 150 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | | | trans | -92.7 | 131.2 | 168.5 | -70.5 | 175 | 177.7 | 174.2 | 0 | 107.9 | | |
| 174 | D | 43.3 | Very low | 44.9 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -151.5 | 174.9 | 138.1 | -140.3 | -26.6 | 0 | 0 | 0 | 111.7 | | |
| 175 | K | 39.5 | Very low | 46.9 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -87.9 | 115.9 | -161.6 | -61.4 | 170.5 | -173.3 | 173.2 | 0 | 112.7 | | |
| 176 | H | 46.7 | Very low | 49.2 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 67% | 0.671 | 73% | 0.725 | S | S | * | * | | | trans | -137.3 | 117.7 | 158.4 | -139.3 | -96.3 | 0 | 0 | 0 | 106.1 | | |
| 177 | K | 45.4 | Very low | 51 | Low | 180 Ų | 180 | 138 Ų | 138 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | | | trans | -145.7 | -18.2 | -171.9 | -118.5 | -163 | 173.8 | -158.9 | 0 | 118.5 | | |
| 178 | D | 55.5 | Low | 53.4 | Low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -110.2 | -31.4 | -173.5 | -58.1 | -72.5 | 0 | 0 | 0 | 113.1 | D180 S181 | D178-D180 PolarHBondContact O-N 3.15Å; D178-S181 WeakPolarHBondContact O-CB 3.47Å; D178-S181 PolarHBondContact O-N 3.07Å; D178-S181 PolarHBondContact O-OG 2.92Å |
| 179 | E | 52 | Low | 55.7 | Low | 140 Ų | 140 | 138.2 Ų | 138.2 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | -30.1 | -178.1 | -69.2 | -70.1 | 124.4 | 0 | 0 | 115.8 | S181 | E179-S181 PolarHBondContact O-N 2.82Š|
| 180 | D | 48.5 | Very low | 58.3 | Low | 104 Ų | 104 | 134.2 Ų | 134.2 | 56% | 0.556 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -65.6 | -21.4 | -178.4 | -80 | -40.8 | 0 | 0 | 0 | 112.7 | D178 E182 L183 V184 | D178-D180 PolarHBondContact O-N 3.15Å; D180-E182 PolarHBondContact O-N 3.41Å; D180-L183 PolarHBondContact O-N 2.9Å; D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.2Å; D180-V184 VanDerWaalsContact O-N 3.15Å |
| 181 | S | 55.7 | Low | 60.8 | Low | 84 Ų | 84 | 128.6 Ų | 128.6 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.5 | -35.8 | -170.1 | -56.8 | 0 | 0 | 0 | 0 | 113.7 | D178 E179 | D178-S181 WeakPolarHBondContact O-CB 3.47Å; D178-S181 PolarHBondContact O-N 3.07Å; D178-S181 PolarHBondContact O-OG 2.92Å; E179-S181 PolarHBondContact O-N 2.82Å |
| 182 | E | 53.8 | Low | 63.4 | Low | 169 Ų | 169 | 125.5 Ų | 125.5 | 79% | 0.79 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.9 | -36.6 | 178.5 | -59.5 | -152.8 | 150 | 0 | 0 | 111.8 | D180 V184 G185 | D180-E182 PolarHBondContact O-N 3.41Å; E182-V184 VanDerWaalsContact C-N 3.27Å; E182-V184 PolarHBondContact O-N 3.23Å; E182-G185 PolarHBondContact O-N 2.84Å |
| 183 | L | 58.9 | Low | 65.6 | Low | 112 Ų | 112 | 123.4 Ų | 123.4 | 59% | 0.586 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64 | -32.8 | 175.2 | -67.6 | 178.1 | 0 | 0 | 0 | 112 | D180 G185 V186 Y187 | D180-L183 PolarHBondContact O-N 2.9Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.9Å; L183-V186 PolarHBondContact O-N 2.94Å; L183-Y187 WeakPolarHBondContact O-CB 3.36Å; L183-Y187 PolarHBondContact O-N 3.45Å |
| 184 | V | 70.2 | Confident | 67.8 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -55.9 | -42.6 | 173.7 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | D180 E182 A188 | D180-V184 WeakPolarHBondContact O-CG2 3.48Å; D180-V184 PolarHBondContact O-N 3.2Å; D180-V184 VanDerWaalsContact O-N 3.15Å; E182-V184 VanDerWaalsContact C-N 3.27Å; E182-V184 PolarHBondContact O-N 3.23Å; V184-A188 WeakPolarHBondContact O-CB 3.48Å; V184-A188 PolarHBondContact O-N 2.92Å |
| 185 | G | 79.7 | Confident | 69.8 | Low | 45 Ų | 45 | 113.7 Ų | 113.7 | 46% | 0.464 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.3 | -51.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E182 L183 Y187 A188 W189 | E182-G185 PolarHBondContact O-N 2.84Å; L183-G185 VanDerWaalsContact C-N 3.29Å; L183-G185 PolarHBondContact O-N 2.9Å; G185-Y187 PolarHBondContact O-N 2.99Å; G185-A188 PolarHBondContact O-N 3.41Å; G185-W189 PolarHBondContact O-N 3.48Å |
| 186 | V | 80 | Confident | 72 | Confident | 74 Ų | 74 | 107.6 Ų | 107.6 | 45% | 0.448 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.4 | -32.9 | -178.6 | -167.8 | 0 | 0 | 0 | 0 | 111.7 | L183 R190 | L183-V186 PolarHBondContact O-N 2.94Å; V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 WeakPolarHBondContact O-CG 3.38Å; V186-R190 PolarHBondContact O-N 3.21Å; V186-R190 VanDerWaalsContact O-N 3.07Å |
| 187 | Y | 81.6 | Confident | 73.9 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 57% | 0.565 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.5 | -44.1 | 173.3 | -179.5 | -110.9 | 0 | 0 | 0 | 111.8 | L183 G185 W189 R190 K191 | L183-Y187 WeakPolarHBondContact O-CB 3.36Å; L183-Y187 PolarHBondContact O-N 3.45Å; G185-Y187 PolarHBondContact O-N 2.99Å; Y187-W189 PolarHBondContact O-N 3.46Å; Y187-R190 PolarHBondContact O-N 3.02Å; Y187-K191 HydrophobicContact CD1-CG 4.39Å; Y187-K191 HydrophobicContact CE1-CG 4.06Å; Y187-K191 HydrophobicContact CE2-CG 4.25Å; Y187-K191 VanDerWaalsContact CZ-CE 3.49Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.86Å; Y187-K191 WeakPolarHBondContact OH-CE 3.32Å |
| 188 | A | 84.5 | Confident | 75.7 | Confident | 55 Ų | 55 | 102.8 Ų | 102.8 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V184 G185 K191 G192 | V184-A188 WeakPolarHBondContact O-CB 3.48Å; V184-A188 PolarHBondContact O-N 2.92Å; G185-A188 PolarHBondContact O-N 3.41Å; A188-K191 PolarHBondContact O-N 3.38Å; A188-G192 PolarHBondContact O-N 2.93Å |
| 189 | W | 84.5 | Confident | 77.1 | Confident | 177 Ų | 177 | 102 Ų | 102 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.8 | -47.1 | 173.3 | 179.6 | -110.7 | 0 | 0 | 0 | 112.2 | G185 Y187 K191 G192 Q193 | G185-W189 PolarHBondContact O-N 3.48Å; Y187-W189 PolarHBondContact O-N 3.46Å; W189-K191 PolarHBondContact O-N 2.81Å; W189-G192 PolarHBondContact O-N 3.2Å; W189-Q193 HydrophobicContact CD2-CG 4.39Å; W189-Q193 HydrophobicContact CZ2-CG 4.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.16Å; W189-Q193 PolarHBondContact O-N 2.69Å |
| 190 | R | 89.5 | Confident | 78.6 | Confident | 162 Ų | 162 | 101.5 Ų | 101.5 | 61% | 0.611 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.3 | -38.4 | 177 | -75.8 | -172 | -82.8 | -145.9 | 2.1 | 112.4 | V186 Y187 A194 | V186-R190 WeakPolarHBondContact O-CB 3.48Å; V186-R190 WeakPolarHBondContact O-CG 3.38Å; V186-R190 PolarHBondContact O-N 3.21Å; V186-R190 VanDerWaalsContact O-N 3.07Å; Y187-R190 PolarHBondContact O-N 3.02Å; R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.07Å |
| 191 | K | 89.7 | Confident | 80.2 | Confident | 121 Ų | 121 | 97.9 Ų | 97.9 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 170.9 | -84.7 | -79 | -172.9 | 172 | 0 | 112.1 | Y187 A188 W189 A194 L195 | Y187-K191 HydrophobicContact CD1-CG 4.39Å; Y187-K191 HydrophobicContact CE1-CG 4.06Å; Y187-K191 HydrophobicContact CE2-CG 4.25Å; Y187-K191 VanDerWaalsContact CZ-CE 3.49Å; Y187-K191 WeakPolarHBondContact O-CB 3.44Å; Y187-K191 PolarHBondContact O-N 2.86Å; Y187-K191 WeakPolarHBondContact OH-CE 3.32Å; A188-K191 PolarHBondContact O-N 3.38Å; W189-K191 PolarHBondContact O-N 2.81Å; K191-A194 PolarHBondContact O-N 3.4Å; K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å |
| 192 | G | 89.6 | Confident | 81.4 | Confident | 34 Ų | 34 | 99.6 Ų | 99.6 | 35% | 0.351 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -48.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A188 W189 A194 L195 V196 | A188-G192 PolarHBondContact O-N 2.93Å; W189-G192 PolarHBondContact O-N 3.2Å; G192-A194 VanDerWaalsContact C-N 3.32Å; G192-A194 PolarHBondContact O-N 2.94Å; G192-L195 WeakPolarHBondContact O-CB 3.43Å; G192-L195 PolarHBondContact O-N 3.35Å; G192-L195 VanDerWaalsContact O-N 3.14Å; G192-V196 WeakPolarHBondContact O-CG2 3.29Å; G192-V196 PolarHBondContact O-N 3.48Å |
| 193 | Q | 87.2 | Confident | 82.3 | Confident | 62 Ų | 62 | 96 Ų | 96 | 29% | 0.29 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -38 | 174.4 | -70.8 | -69.9 | -20.8 | 0 | 0 | 112.6 | W189 R197 | W189-Q193 HydrophobicContact CD2-CG 4.39Å; W189-Q193 HydrophobicContact CZ2-CG 4.41Å; W189-Q193 WeakPolarHBondContact O-CG 3.16Å; W189-Q193 PolarHBondContact O-N 2.69Å; Q193-R197 WeakPolarHBondContact O-CB 3.49Å; Q193-R197 VanDerWaalsContact O-CG 3.28Å; Q193-R197 WeakPolarHBondContact O-CG 3.12Å; Q193-R197 PolarHBondContact O-N 2.87Å |
| 194 | A | 87.2 | Confident | 82.7 | Confident | 47 Ų | 47 | 96.2 Ų | 96.2 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R190 K191 G192 R197 S198 | R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.07Å; K191-A194 PolarHBondContact O-N 3.4Å; G192-A194 VanDerWaalsContact C-N 3.32Å; G192-A194 PolarHBondContact O-N 2.94Å; A194-R197 PolarHBondContact O-N 2.94Å; A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.81Å; A194-S198 PolarHBondContact O-OG 3.39Å |
| 195 | L | 87.2 | Confident | 82.3 | Confident | 109 Ų | 109 | 98.1 Ų | 98.1 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -45 | 175.5 | -162.8 | 101.3 | 0 | 0 | 0 | 111.2 | K191 G192 R197 S198 L199 | K191-L195 WeakPolarHBondContact O-CB 3.25Å; K191-L195 PolarHBondContact O-N 3.37Å; G192-L195 WeakPolarHBondContact O-CB 3.43Å; G192-L195 PolarHBondContact O-N 3.35Å; G192-L195 VanDerWaalsContact O-N 3.14Å; L195-R197 PolarHBondContact O-N 3.21Å; L195-S198 CarbonylContact O-C 3.57Å; L195-S198 WeakPolarHBondContact O-CA 3.45Å; L195-S198 WeakPolarHBondContact O-CB 3.15Å; L195-S198 PolarHBondContact O-N 2.8Å; L195-L199 HydrophobicContact CD2-CD1 3.84Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 2.75Å |
| 196 | V | 85.4 | Confident | 81.1 | Confident | 68 Ų | 68 | 103.5 Ų | 103.5 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -58.6 | -46.4 | 175 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | G192 S198 L199 L200 | G192-V196 WeakPolarHBondContact O-CG2 3.29Å; G192-V196 PolarHBondContact O-N 3.48Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.02Å; V196-L199 PolarHBondContact O-N 2.82Å; V196-L200 HydrophobicContact CG1-CD1 3.79Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 3.32Å |
| 197 | R | 86.3 | Confident | 79.6 | Confident | 143 Ų | 143 | 110.6 Ų | 110.6 | 54% | 0.54 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.6 | -31.4 | 173.4 | -71 | 169.1 | -174.9 | 138.1 | 2.3 | 113 | Q193 A194 L195 G201 | Q193-R197 WeakPolarHBondContact O-CB 3.49Å; Q193-R197 VanDerWaalsContact O-CG 3.28Å; Q193-R197 WeakPolarHBondContact O-CG 3.12Å; Q193-R197 PolarHBondContact O-N 2.87Å; A194-R197 PolarHBondContact O-N 2.94Å; L195-R197 PolarHBondContact O-N 3.21Å; R197-G201 CarbonylContact O-C 3.33Å; R197-G201 WeakPolarHBondContact O-CA 3.24Å; R197-G201 PolarHBondContact O-N 3.28Å |
| 198 | S | 83.3 | Confident | 77.9 | Confident | 80 Ų | 80 | 114.2 Ų | 114.2 | 56% | 0.559 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.2 | -29.1 | 177 | -58.3 | 0 | 0 | 0 | 0 | 113.4 | A194 L195 V196 | A194-S198 WeakPolarHBondContact O-CB 3.4Å; A194-S198 PolarHBondContact O-N 2.81Å; A194-S198 PolarHBondContact O-OG 3.39Å; L195-S198 CarbonylContact O-C 3.57Å; L195-S198 WeakPolarHBondContact O-CA 3.45Å; L195-S198 WeakPolarHBondContact O-CB 3.15Å; L195-S198 PolarHBondContact O-N 2.8Å; V196-S198 VanDerWaalsContact C-N 3.27Å; V196-S198 PolarHBondContact O-N 3.02Å |
| 199 | L | 83.6 | Confident | 76 | Confident | 117 Ų | 117 | 120.1 Ų | 120.1 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -89.9 | -40.1 | -179.4 | -70.3 | 171.6 | 0 | 0 | 0 | 113.3 | L195 V196 | L195-L199 HydrophobicContact CD2-CD1 3.84Å; L195-L199 HydrophobicContact CG-CD1 4.12Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 2.75Å; V196-L199 PolarHBondContact O-N 2.82Å |
| 200 | L | 85.1 | Confident | 74.1 | Confident | 129 Ų | 129 | 119.7 Ų | 119.7 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -95.4 | -22.3 | -177.9 | -57.8 | -174.8 | 0 | 0 | 0 | 113.3 | V196 | V196-L200 HydrophobicContact CG1-CD1 3.79Å; V196-L200 HydrophobicContact CG1-CG 4.3Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 3.32Å |
| 201 | G | 81.4 | Confident | 71.8 | Confident | 28 Ų | 28 | 117.1 Ų | 117.1 | 29% | 0.289 | 62% | 0.621 | S | S | . | * | | | trans | 92.7 | 178.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R197 | R197-G201 CarbonylContact O-C 3.33Å; R197-G201 WeakPolarHBondContact O-CA 3.24Å; R197-G201 PolarHBondContact O-N 3.28Å |
| 202 | P | 80.1 | Confident | 69.6 | Low | 120 Ų | 120 | 120.7 Ų | 120.7 | 78% | 0.779 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -65.7 | 144.4 | 173.2 | 28.8 | -34.4 | 0 | 0 | 0 | 110.8 | | |
| 203 | P | 73.2 | Confident | 67.3 | Low | 93 Ų | 93 | 126.3 Ų | 126.3 | 60% | 0.604 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 150.3 | 175.7 | 28.3 | -34.9 | 0 | 0 | 0 | 111.1 | V205 | P203-V205 PolarHBondContact O-N 3.11Š|
| 204 | P | 67.7 | Low | 65.1 | Low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.3 | 179.7 | 26.6 | -34.1 | 0 | 0 | 0 | 110.9 | L206 | P204-L206 PolarHBondContact O-N 3.02Š|
| 205 | V | 62.9 | Low | 62.9 | Low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | | | trans | -72.1 | 100.4 | 178.8 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | P203 R207 | P203-V205 PolarHBondContact O-N 3.11Å; V205-R207 PolarHBondContact O-N 3.43Å; V205-R207 VanDerWaalsContact O-N 3.15Å |
| 206 | L | 53 | Low | 60.6 | Low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | | | trans | -64.1 | 111.1 | 167.5 | -64.1 | 178 | 0 | 0 | 0 | 108.8 | P204 R208 | P204-L206 PolarHBondContact O-N 3.02Å; L206-R208 PolarHBondContact O-N 2.96Å; L206-R208 VanDerWaalsContact O-N 3.07Å |
| 207 | R | 47.9 | Very low | 58.3 | Low | 224 Ų | 224 | 142.4 Ų | 142.4 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | trans | -66.2 | 107.6 | 170.3 | -82.8 | -168.4 | 168.4 | -147.6 | -3.7 | 109 | V205 H209 | V205-R207 PolarHBondContact O-N 3.43Å; V205-R207 VanDerWaalsContact O-N 3.15Å; R207-H209 PolarHBondContact O-N 2.91Å |
| 208 | R | 46.1 | Very low | 56.5 | Low | 220 Ų | 220 | 141.2 Ų | 141.2 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | | | trans | -58.5 | 124.2 | 161 | -70 | -169.4 | -177.9 | -157.3 | 2 | 107.9 | L206 H210 | L206-R208 PolarHBondContact O-N 2.96Å; L206-R208 VanDerWaalsContact O-N 3.07Å; R208-H210 PolarHBondContact O-N 3.42Å |
| 209 | H | 45.1 | Very low | 54.2 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | | | trans | -74.6 | 112.5 | 167.5 | -81.1 | -117.7 | 0 | 0 | 0 | 107.6 | R207 S211 | R207-H209 PolarHBondContact O-N 2.91Å; H209-S211 PolarHBondContact O-N 3.11Å |
| 210 | H | 44.4 | Very low | 52.3 | Low | 168 Ų | 168 | 143.2 Ų | 143.2 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | trans | -79.2 | 94.6 | 170 | -69.3 | -92.5 | 0 | 0 | 0 | 108.6 | R208 | R208-H210 PolarHBondContact O-N 3.42Š|
| 211 | S | 42.3 | Very low | 50.2 | Low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -62.9 | 141.1 | 152 | 42.9 | 0 | 0 | 0 | 0 | 108.3 | H209 | H209-S211 PolarHBondContact O-N 3.11Š|
| 212 | K | 43.8 | Very low | 48.6 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -149.9 | 83.9 | -174.7 | -161.3 | 178.7 | -172.5 | -175.1 | 0 | 109.8 | | |
| 213 | D | 39.7 | Very low | 46.8 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -76.3 | 139.4 | 176.9 | -64.3 | -60.9 | 0 | 0 | 0 | 111 | | |
| 214 | P | 40.9 | Very low | 45.7 | Very low | 126 Ų | 126 | 150.8 Ų | 150.8 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -96.7 | 138.2 | -175.5 | 35.3 | -32.9 | 0 | 0 | 0 | 113.1 | | |
| 215 | S | 41.2 | Very low | 44.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -141.3 | 107.8 | 169.2 | -170.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 216 | R | 40.1 | Very low | 43.5 | Very low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | 42.2 | 107.2 | 146.8 | -62.1 | -172.3 | 175.5 | -157.6 | -1.7 | 121.1 | | |
| 217 | D | 36.5 | Very low | 43.3 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | trans | -43 | 165.4 | 137 | -110.9 | -50 | 0 | 0 | 0 | 114.1 | | |
| 218 | P | 47.5 | Very low | 43.3 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | | -157.5 | 147.9 | 58 | 41 | -18.3 | 0 | 0 | 0 | 122.6 | | |
| 219 | A | 36.5 | Very low | 43.3 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | | 77 | 169.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 220 | L | 42.3 | Very low | 43.2 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | trans | 86.5 | 129.6 | 172.1 | -56.6 | -175.9 | 0 | 0 | 0 | 116.9 | | |
| 221 | T | 42.9 | Very low | 43 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | cis | -164.8 | 171.5 | -11.6 | -8.7 | 0 | 0 | 0 | 0 | 112 | | |
| 222 | V | 47.1 | Very low | 42.8 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | 70.3 | 113.2 | 156.7 | 162.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 223 | D | 42.7 | Very low | 42.5 | Very low | 138 Ų | 138 | 132.4 Ų | 132.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | | 82.7 | 141.4 | 69.2 | -80.6 | -46.8 | 0 | 0 | 0 | 113.4 | | |
| 224 | L | 48.6 | Very low | 42.4 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | cis | -159.6 | 157.7 | 3.1 | -179.9 | 63 | 0 | 0 | 0 | 111.4 | | |
| 225 | G | 43.3 | Very low | 42 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | | | trans | 102 | 112.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 226 | D | 41.8 | Very low | 41.7 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | | 60.1 | 121.8 | 63.7 | -66.2 | -41.6 | 0 | 0 | 0 | 113.8 | | |
| 227 | S | 48.6 | Very low | 42 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | cis | -150.4 | -168 | 5.9 | 55.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 228 | E | 47.6 | Very low | 41.9 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 61% | 0.607 | 77% | 0.77 | S | S | * | * | | | cis | -154.2 | 168.3 | 17.7 | 174.2 | 55.8 | -39.4 | 0 | 0 | 111.6 | | |
| 229 | K | 46.7 | Very low | 41.3 | Very low | 158 Ų | 158 | 128.6 Ų | 128.6 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | | | trans | -67.2 | 144.4 | -174.5 | -44.4 | 125 | -161.6 | 140.1 | 0 | 115.5 | | |
| 230 | V | 42.6 | Very low | 41.4 | Very low | 148 Ų | 148 | 129.4 Ų | 129.4 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | | | | -169.8 | 151.5 | 115.4 | 145.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 231 | I | 39.6 | Very low | 41.1 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | -116.1 | 122.2 | -152.1 | -59.2 | 161 | 0 | 0 | 0 | 113.7 | | |
| 232 | A | 39 | Very low | 40.6 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -162.6 | 105.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 233 | A | 37.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -78.6 | 126.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 234 | K | 37.8 | Very low | 39.5 | Very low | 208 Ų | 208 | 130.3 Ų | 130.3 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | -112.7 | 118.8 | 150.7 | -75.4 | 178.9 | 179.2 | 173.3 | 0 | 107.7 | | |
| 235 | C | 32.3 | Very low | 39 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -118.7 | 102.2 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 236 | S | 35 | Very low | 38.5 | Very low | 105 Ų | 105 | 131 Ų | 131 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 133.8 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | V238 | S236-V238 PolarHBondContact O-N 3.5Š|
| 237 | P | 46.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 129 Ų | 129 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 121.5 | 174.6 | 27.9 | -32.3 | 0 | 0 | 0 | 110.4 | | |
| 238 | V | 33.8 | Very low | 37.5 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 136.1 | 176.8 | 171.5 | 0 | 0 | 0 | 0 | 112.8 | S236 | S236-V238 PolarHBondContact O-N 3.5Š|
| 239 | C | 36.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 127 | 151.3 | -67.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 240 | A | 37.5 | Very low | 36.2 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 147.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 241 | Q | 35.8 | Very low | 35.9 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 144.1 | 175.6 | -76.2 | 178.1 | -80.1 | 0 | 0 | 110.7 | | |
| 242 | L | 33.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 62% | 0.623 | 79% | 0.785 | S | S | * | * | | | | 45.9 | 155.8 | 126.1 | -113.9 | 55.5 | 0 | 0 | 0 | 120.6 | D244 | L242-D244 VanDerWaalsContact CD2-CG 3.43Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; L242-D244 WeakPolarHBondContact CD2-OD2 3.47Å |
| 243 | P | 37.3 | Very low | 35.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | | -126.5 | 151.2 | 86.1 | 37.4 | -32 | 0 | 0 | 0 | 114.1 | | |
| 244 | D | 28.6 | Very low | 35.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 68% | 0.679 | 78% | 0.78 | S | S | * | * | | | trans | -77.4 | 154.4 | 165.9 | -68.1 | -50.3 | 0 | 0 | 0 | 110.4 | L242 | L242-D244 VanDerWaalsContact CD2-CG 3.43Å; L242-D244 WeakPolarHBondContact CD2-OD1 3.46Å; L242-D244 WeakPolarHBondContact CD2-OD2 3.47Å |
| 245 | A | 37.9 | Very low | 35 | Very low | 107 Ų | 107 | 128 Ų | 128 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -129.3 | 123.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 246 | T | 33.9 | Very low | 35.1 | Very low | 123 Ų | 123 | 125 Ų | 125 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -103.7 | 152.8 | -168.7 | -49.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 247 | S | 32.7 | Very low | 35.1 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | 71.9 | 161.5 | 169.6 | 83.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 248 | A | 36.5 | Very low | 34.4 | Very low | 93 Ų | 93 | 128 Ų | 128 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | cis | -140.3 | 169 | 6.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 249 | Y | 33.7 | Very low | 34.6 | Very low | 215 Ų | 215 | 127 Ų | 127 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -50.7 | 132.1 | 169.6 | -145.4 | -107.1 | 0 | 0 | 0 | 113.1 | | |
| 250 | S | 33.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 125.9 Ų | 125.9 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -160.2 | 131.9 | 134.2 | -167.6 | 0 | 0 | 0 | 0 | 110 | | |
| 251 | D | 35.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -83.4 | 174.1 | 169.8 | -88.6 | -57.6 | 0 | 0 | 0 | 111.9 | | |
| 252 | Q | 36 | Very low | 34.2 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | | | trans | 83.3 | 121.8 | 147.8 | -87.7 | -170.3 | 53.1 | 0 | 0 | 122 | | |
| 253 | Q | 32 | Very low | 34.2 | Very low | 152 Ų | 152 | 123.6 Ų | 123.6 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | trans | 76.4 | 134.2 | 138.2 | -67 | -159.5 | 66.2 | 0 | 0 | 120.9 | | |
| 254 | V | 32.2 | Very low | 34.4 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 67.2 | 136.9 | 140.5 | 165.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 255 | S | 35.8 | Very low | 35.1 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | cis | -168 | 154.6 | -17.5 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 256 | G | 33.4 | Very low | 35.6 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | | | trans | 86.3 | 161.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 257 | N | 35.1 | Very low | 36.5 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | | | trans | 76.7 | 63.1 | 157.1 | -50.4 | -13.6 | 0 | 0 | 0 | 118.1 | | |
| 258 | T | 31 | Very low | 37.8 | Very low | 131 Ų | 131 | 122.7 Ų | 122.7 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | | -34.7 | 161.1 | 119.9 | 17.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 259 | P | 39.5 | Very low | 39.6 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | | | cis | -129 | 158.4 | 23.1 | 35.8 | -15.9 | 0 | 0 | 0 | 114.6 | | |
| 260 | S | 29.4 | Very low | 41.6 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | | | | 84 | 166 | 67.9 | 111.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 261 | L | 35.4 | Very low | 44 | Very low | 161 Ų | 161 | 119.3 Ų | 119.3 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | | | trans | 67.8 | 123.3 | -174.4 | -53 | 171.9 | 0 | 0 | 0 | 114.7 | | |
| 262 | A | 34.8 | Very low | 46.3 | Very low | 87 Ų | 87 | 117.5 Ų | 117.5 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | | | cis | 74.7 | 116.4 | 15.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 263 | S | 35 | Very low | 48.6 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 68% | 0.678 | 67% | 0.666 | S | S | * | * | | | | 169.3 | 161.3 | 116.4 | 56.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 264 | F | 40.9 | Very low | 51.4 | Low | 189 Ų | 189 | 110.2 Ų | 110.2 | 83% | 0.829 | 66% | 0.657 | S | S | * | * | | | trans | 49.2 | 114.8 | 158.6 | -47.6 | -53.7 | 0 | 0 | 0 | 122.9 | | |
| 265 | D | 43 | Very low | 54.1 | Low | 123 Ų | 123 | 106.5 Ų | 106.5 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | | | trans | -146 | 29.1 | 149.6 | -153.4 | 9.1 | 0 | 0 | 0 | 113.3 | A268 T269 | D265-A268 WeakPolarHBondContact OD1-CB 3.4Å; D265-T269 PolarHBondContact O-OG1 3.44Å |
| 266 | Q | 47.9 | Very low | 56.8 | Low | 146 Ų | 146 | 106.1 Ų | 106.1 | 68% | 0.682 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.3 | -38 | -178.8 | -147.1 | 175.9 | 30.5 | 0 | 0 | 114.9 | A268 T269 I270 | Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 2.92Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 PolarHBondContact O-N 3.26Å; Q266-T269 VanDerWaalsContact O-N 3.17Å; Q266-I270 PolarHBondContact O-N 3.47Å |
| 267 | P | 53.8 | Low | 59.7 | Low | 83 Ų | 83 | 108.3 Ų | 108.3 | 54% | 0.539 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.5 | -31.4 | 179.4 | 26.6 | -33.7 | 0 | 0 | 0 | 112.6 | T269 I270 Q271 | P267-T269 VanDerWaalsContact C-N 3.26Å; P267-T269 PolarHBondContact O-N 2.88Å; P267-I270 PolarHBondContact O-N 3.37Å; P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 2.82Å |
| 268 | A | 59 | Low | 62.5 | Low | 39 Ų | 39 | 106.1 Ų | 106.1 | 32% | 0.322 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.4 | -35.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D265 Q266 T272 | D265-A268 WeakPolarHBondContact OD1-CB 3.4Å; Q266-A268 VanDerWaalsContact C-N 3.34Å; Q266-A268 PolarHBondContact O-N 2.92Å; A268-T272 VanDerWaalsContact O-CB 3.22Å; A268-T272 WeakPolarHBondContact O-CB 3.45Å; A268-T272 PolarHBondContact O-N 2.96Å; A268-T272 PolarHBondContact O-OG1 2.89Å |
| 269 | T | 74.3 | Confident | 65.4 | Low | 97 Ų | 97 | 103.6 Ų | 103.6 | 60% | 0.595 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.6 | -42 | 174.2 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | D265 Q266 P267 A273 | D265-T269 PolarHBondContact O-OG1 3.44Å; Q266-T269 WeakPolarHBondContact O-CB 3.36Å; Q266-T269 PolarHBondContact O-N 3.26Å; Q266-T269 VanDerWaalsContact O-N 3.17Å; P267-T269 VanDerWaalsContact C-N 3.26Å; P267-T269 PolarHBondContact O-N 2.88Å; T269-A273 WeakPolarHBondContact O-CB 3.43Å; T269-A273 PolarHBondContact O-N 3.25Å |
| 270 | I | 75.7 | Confident | 68 | Low | 110 Ų | 110 | 102.5 Ų | 102.5 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.5 | -44.3 | 177.6 | -62.4 | 174.4 | 0 | 0 | 0 | 111.2 | Q266 P267 T272 A273 M274 | Q266-I270 PolarHBondContact O-N 3.47Å; P267-I270 PolarHBondContact O-N 3.37Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 2.9Å; I270-A273 PolarHBondContact O-N 3.49Å; I270-M274 WeakPolarHBondContact O-CG 3.03Å; I270-M274 PolarHBondContact O-N 2.79Å |
| 271 | Q | 83.7 | Confident | 71.1 | Confident | 144 Ų | 144 | 107.2 Ų | 107.2 | 67% | 0.673 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.2 | -37.5 | 175.8 | -70.6 | -168.4 | 16.7 | 0 | 0 | 112 | P267 M274 A275 | P267-Q271 WeakPolarHBondContact O-CG 3.32Å; P267-Q271 PolarHBondContact O-N 2.82Å; Q271-M274 PolarHBondContact O-N 3.27Å; Q271-A275 WeakPolarHBondContact O-CB 3.39Å; Q271-A275 PolarHBondContact O-N 2.61Å |
| 272 | T | 83.9 | Confident | 73.9 | Confident | 82 Ų | 82 | 105.9 Ų | 105.9 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.2 | -42.5 | 173.3 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | A268 I270 A275 I276 | A268-T272 VanDerWaalsContact O-CB 3.22Å; A268-T272 WeakPolarHBondContact O-CB 3.45Å; A268-T272 PolarHBondContact O-N 2.96Å; A268-T272 PolarHBondContact O-OG1 2.89Å; I270-T272 VanDerWaalsContact C-N 3.33Å; I270-T272 PolarHBondContact O-N 2.9Å; T272-A275 PolarHBondContact O-N 2.84Å; T272-I276 HydrophobicContact CG2-CD1 3.92Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.35Å |
| 273 | A | 84.7 | Confident | 76.8 | Confident | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T269 I270 I276 L277 | T269-A273 WeakPolarHBondContact O-CB 3.43Å; T269-A273 PolarHBondContact O-N 3.25Å; I270-A273 PolarHBondContact O-N 3.49Å; A273-I276 PolarHBondContact O-N 2.9Å; A273-L277 VanDerWaalsContact O-CG 3.32Å; A273-L277 WeakPolarHBondContact O-CG 3.41Å; A273-L277 PolarHBondContact O-N 3.1Å |
| 274 | M | 91.2 | Very high | 79.4 | Confident | 106 Ų | 106 | 107.1 Ų | 107.1 | 52% | 0.522 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -45 | 173.5 | -74.1 | -79.7 | -80.4 | 0 | 0 | 111.8 | I270 Q271 L277 Q278 | I270-M274 WeakPolarHBondContact O-CG 3.03Å; I270-M274 PolarHBondContact O-N 2.79Å; Q271-M274 PolarHBondContact O-N 3.27Å; M274-L277 PolarHBondContact O-N 2.86Å; M274-Q278 WeakPolarHBondContact O-CG 3.22Å; M274-Q278 PolarHBondContact O-N 2.84Å |
| 275 | A | 89.1 | Confident | 81.9 | Confident | 53 Ų | 53 | 102.8 Ų | 102.8 | 44% | 0.438 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | Q271 T272 L277 Q278 D279 | Q271-A275 WeakPolarHBondContact O-CB 3.39Å; Q271-A275 PolarHBondContact O-N 2.61Å; T272-A275 PolarHBondContact O-N 2.84Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; A275-Q278 PolarHBondContact O-N 2.92Å; A275-D279 WeakPolarHBondContact O-CB 3.48Å; A275-D279 PolarHBondContact O-N 3.16Å |
| 276 | I | 91.3 | Very high | 84 | Confident | 101 Ų | 101 | 99.5 Ų | 99.5 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 174.8 | -69.5 | 165.1 | 0 | 0 | 0 | 111.3 | T272 A273 L280 | T272-I276 HydrophobicContact CG2-CD1 3.92Å; T272-I276 VanDerWaalsContact O-CG1 3.26Å; T272-I276 WeakPolarHBondContact O-CG1 3.33Å; T272-I276 PolarHBondContact O-N 3.35Å; A273-I276 PolarHBondContact O-N 2.9Å; I276-L280 VanDerWaalsContact O-CB 3.25Å; I276-L280 WeakPolarHBondContact O-CB 3.15Å; I276-L280 PolarHBondContact O-N 3.32Å |
| 277 | L | 94.5 | Very high | 86 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 57% | 0.571 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -70.3 | -31.7 | 175.7 | -71.3 | 170.8 | 0 | 0 | 0 | 112.8 | A273 M274 A275 R281 | A273-L277 VanDerWaalsContact O-CG 3.32Å; A273-L277 WeakPolarHBondContact O-CG 3.41Å; A273-L277 PolarHBondContact O-N 3.1Å; M274-L277 PolarHBondContact O-N 2.86Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; L277-R281 WeakPolarHBondContact O-CB 3.28Å; L277-R281 PolarHBondContact O-N 3.23Å; L277-R281 VanDerWaalsContact O-N 3.11Å |
| 278 | Q | 94 | Very high | 87.6 | Confident | 112 Ų | 112 | 95 Ų | 95 | 52% | 0.523 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.6 | -46.8 | 173.3 | -73.2 | 176.9 | 5.7 | 0 | 0 | 111.9 | M274 A275 R281 Q282 | M274-Q278 WeakPolarHBondContact O-CG 3.22Å; M274-Q278 PolarHBondContact O-N 2.84Å; A275-Q278 PolarHBondContact O-N 2.92Å; Q278-R281 WeakPolarHBondContact O-CB 3.47Å; Q278-R281 PolarHBondContact O-N 2.91Å; Q278-Q282 WeakPolarHBondContact O-CG 3.46Å; Q278-Q282 PolarHBondContact O-N 3.31Å |
| 279 | D | 93.1 | Very high | 88.9 | Confident | 78 Ų | 78 | 98 Ų | 98 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.6 | -48.3 | 173.6 | 172.3 | 41 | 0 | 0 | 0 | 111.1 | A275 R281 Q282 Q283 | A275-D279 WeakPolarHBondContact O-CB 3.48Å; A275-D279 PolarHBondContact O-N 3.16Å; D279-R281 VanDerWaalsContact C-N 3.28Å; D279-R281 PolarHBondContact O-N 3.11Å; D279-Q282 CarbonylContact O-C 3.58Å; D279-Q282 WeakPolarHBondContact O-CA 3.5Å; D279-Q282 PolarHBondContact O-N 3.13Å; D279-Q283 WeakPolarHBondContact O-CG 3.35Å; D279-Q283 PolarHBondContact O-N 2.88Å; D279-Q283 PolarHBondContact OD1-NE2 3.29Å; D279-Q283 PolarHBondContact OD2-NE2 3.25Å |
| 280 | L | 94.5 | Very high | 89.4 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -37.9 | 175.7 | -177.6 | 60.8 | 0 | 0 | 0 | 112.4 | I276 I284 | I276-L280 VanDerWaalsContact O-CB 3.25Å; I276-L280 WeakPolarHBondContact O-CB 3.15Å; I276-L280 PolarHBondContact O-N 3.32Å; L280-I284 HydrophobicContact CD1-CD1 4.18Å; L280-I284 HydrophobicContact CD1-CG1 4.46Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 WeakPolarHBondContact O-CD1 3.35Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 2.89Å |
| 281 | R | 94.6 | Very high | 89.5 | Confident | 200 Ų | 200 | 96 Ų | 96 | 76% | 0.755 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -45.4 | 171.4 | -97 | -177.5 | 157.7 | -161.7 | -4.3 | 112.1 | L277 Q278 D279 I284 Q285 | L277-R281 WeakPolarHBondContact O-CB 3.28Å; L277-R281 PolarHBondContact O-N 3.23Å; L277-R281 VanDerWaalsContact O-N 3.11Å; Q278-R281 WeakPolarHBondContact O-CB 3.47Å; Q278-R281 PolarHBondContact O-N 2.91Å; D279-R281 VanDerWaalsContact C-N 3.28Å; D279-R281 PolarHBondContact O-N 3.11Å; R281-I284 PolarHBondContact O-N 2.69Å; R281-Q285 WeakPolarHBondContact O-CB 3.43Å; R281-Q285 PolarHBondContact O-N 3.45Å |
| 282 | Q | 94.2 | Very high | 89.1 | Confident | 132 Ų | 132 | 95.3 Ų | 95.3 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -41.3 | 178.3 | -70.2 | 176.3 | 22.2 | 0 | 0 | 111.7 | Q278 D279 Q285 A286 | Q278-Q282 WeakPolarHBondContact O-CG 3.46Å; Q278-Q282 PolarHBondContact O-N 3.31Å; D279-Q282 CarbonylContact O-C 3.58Å; D279-Q282 WeakPolarHBondContact O-CA 3.5Å; D279-Q282 PolarHBondContact O-N 3.13Å; Q282-Q285 PolarHBondContact O-N 3.27Å; Q282-A286 VanDerWaalsContact O-CB 3.29Å; Q282-A286 WeakPolarHBondContact O-CB 3.46Å; Q282-A286 PolarHBondContact O-N 2.82Å |
| 283 | Q | 94.1 | Very high | 88.3 | Confident | 112 Ų | 112 | 94.8 Ų | 94.8 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.6 | -69.6 | 179.9 | 27.7 | 0 | 0 | 112.6 | D279 G287 | D279-Q283 WeakPolarHBondContact O-CG 3.35Å; D279-Q283 PolarHBondContact O-N 2.88Å; D279-Q283 PolarHBondContact OD1-NE2 3.29Å; D279-Q283 PolarHBondContact OD2-NE2 3.25Å; Q283-G287 PolarHBondContact O-N 2.84Å |
| 284 | I | 90.7 | Very high | 87.1 | Confident | 99 Ų | 99 | 102.7 Ų | 102.7 | 51% | 0.508 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | 174 | -70.4 | 166.2 | 0 | 0 | 0 | 110.4 | L280 R281 G287 L288 | L280-I284 HydrophobicContact CD1-CD1 4.18Å; L280-I284 HydrophobicContact CD1-CG1 4.46Å; L280-I284 HydrophobicContact CG-CD1 4.08Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 WeakPolarHBondContact O-CD1 3.35Å; L280-I284 VanDerWaalsContact O-CG1 3.24Å; L280-I284 WeakPolarHBondContact O-CG1 3.45Å; L280-I284 PolarHBondContact O-N 2.89Å; R281-I284 PolarHBondContact O-N 2.69Å; I284-G287 PolarHBondContact O-N 3.39Å; I284-L288 HydrophobicContact CG2-CD1 4.14Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.2Å |
| 285 | Q | 92 | Very high | 85.6 | Confident | 97 Ų | 97 | 107.1 Ų | 107.1 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 178.1 | -177.3 | 61.1 | 22.9 | 0 | 0 | 111.7 | R281 Q282 G287 L288 E289 | R281-Q285 WeakPolarHBondContact O-CB 3.43Å; R281-Q285 PolarHBondContact O-N 3.45Å; Q282-Q285 PolarHBondContact O-N 3.27Å; Q285-G287 VanDerWaalsContact C-N 3.28Å; Q285-G287 PolarHBondContact O-N 3.23Å; Q285-L288 WeakPolarHBondContact O-CB 3.34Å; Q285-L288 PolarHBondContact O-N 3.06Å; Q285-L288 VanDerWaalsContact O-N 3.1Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.37Å; Q285-E289 PolarHBondContact NE2-OE1 3.14Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 3.01Å |
| 286 | A | 87.2 | Confident | 83.8 | Confident | 55 Ų | 55 | 107.7 Ų | 107.7 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.8 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q282 L290 | Q282-A286 VanDerWaalsContact O-CB 3.29Å; Q282-A286 WeakPolarHBondContact O-CB 3.46Å; Q282-A286 PolarHBondContact O-N 2.82Å; A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.49Å |
| 287 | G | 90.3 | Very high | 81.4 | Confident | 42 Ų | 42 | 106.1 Ų | 106.1 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.2 | -39.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q283 I284 Q285 A291 | Q283-G287 PolarHBondContact O-N 2.84Å; I284-G287 PolarHBondContact O-N 3.39Å; Q285-G287 VanDerWaalsContact C-N 3.28Å; Q285-G287 PolarHBondContact O-N 3.23Å; G287-A291 WeakPolarHBondContact O-CB 3.48Å; G287-A291 PolarHBondContact O-N 2.79Å |
| 288 | L | 87.8 | Confident | 79 | Confident | 91 Ų | 91 | 109.7 Ų | 109.7 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69.3 | -42.3 | 174 | -72.4 | 170.2 | 0 | 0 | 0 | 111.8 | I284 Q285 A291 Q292 | I284-L288 HydrophobicContact CG2-CD1 4.14Å; I284-L288 WeakPolarHBondContact O-CG 3.36Å; I284-L288 PolarHBondContact O-N 3.2Å; Q285-L288 WeakPolarHBondContact O-CB 3.34Å; Q285-L288 PolarHBondContact O-N 3.06Å; Q285-L288 VanDerWaalsContact O-N 3.1Å; L288-A291 PolarHBondContact O-N 2.88Å; L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.46Å; L288-Q292 PolarHBondContact O-N 3.39Å |
| 289 | E | 86 | Confident | 76.3 | Confident | 103 Ų | 103 | 113 Ų | 113 | 48% | 0.481 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.8 | -42.3 | 176.2 | -74.4 | 172.7 | -164.1 | 0 | 0 | 111.7 | Q285 A291 Q292 A293 | Q285-E289 WeakPolarHBondContact CG-OE1 3.37Å; Q285-E289 PolarHBondContact NE2-OE1 3.14Å; Q285-E289 WeakPolarHBondContact O-CG 3.38Å; Q285-E289 PolarHBondContact O-N 3.01Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.84Å; E289-Q292 PolarHBondContact O-N 2.88Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; E289-A293 WeakPolarHBondContact O-CB 3.38Å; E289-A293 PolarHBondContact O-N 3.16Å |
| 290 | L | 84.1 | Confident | 74 | Confident | 109 Ų | 109 | 117.8 Ų | 117.8 | 57% | 0.571 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.4 | -28.8 | 175.5 | -166.1 | 145.7 | 0 | 0 | 0 | 112.2 | A286 R294 | A286-L290 WeakPolarHBondContact O-CB 3.33Å; A286-L290 PolarHBondContact O-N 3.49Å; L290-R294 WeakPolarHBondContact O-CG 3.34Å; L290-R294 PolarHBondContact O-N 3.27Å |
| 291 | A | 78 | Confident | 71.5 | Confident | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74 | -35.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G287 L288 E289 | G287-A291 WeakPolarHBondContact O-CB 3.48Å; G287-A291 PolarHBondContact O-N 2.79Å; L288-A291 PolarHBondContact O-N 2.88Å; E289-A291 VanDerWaalsContact C-N 3.28Å; E289-A291 PolarHBondContact O-N 2.84Å |
| 292 | Q | 76.3 | Confident | 69 | Low | 130 Ų | 130 | 114 Ų | 114 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -73.1 | -43.1 | 176.2 | -74.5 | -179.5 | 58.6 | 0 | 0 | 112.2 | L288 E289 R294 K295 G296 | L288-Q292 WeakPolarHBondContact O-CB 3.39Å; L288-Q292 WeakPolarHBondContact O-CG 3.46Å; L288-Q292 PolarHBondContact O-N 3.39Å; E289-Q292 PolarHBondContact O-N 2.88Å; E289-Q292 VanDerWaalsContact O-N 3.16Å; Q292-R294 PolarHBondContact O-N 2.89Å; Q292-K295 CarbonylContact O-C 3.55Å; Q292-K295 WeakPolarHBondContact O-CA 3.34Å; Q292-K295 PolarHBondContact O-N 3.37Å; Q292-G296 PolarHBondContact O-N 3.47Å |
| 293 | A | 67.7 | Low | 66.1 | Low | 70 Ų | 70 | 112.7 Ų | 112.7 | 58% | 0.579 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -56.8 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E289 K295 G296 G297 | E289-A293 WeakPolarHBondContact O-CB 3.38Å; E289-A293 PolarHBondContact O-N 3.16Å; A293-K295 PolarHBondContact O-N 2.85Å; A293-G296 PolarHBondContact O-N 3.07Å; A293-G297 PolarHBondContact O-N 2.97Å; A293-G297 VanDerWaalsContact O-N 3.16Å |
| 294 | R | 59.5 | Low | 63.9 | Low | 215 Ų | 215 | 116 Ų | 116 | 81% | 0.811 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -71.9 | -3.1 | 172.8 | -77.2 | -176.9 | 167.9 | -162.8 | -3 | 115.3 | L290 Q292 | L290-R294 WeakPolarHBondContact O-CG 3.34Å; L290-R294 PolarHBondContact O-N 3.27Å; Q292-R294 PolarHBondContact O-N 2.89Å |
| 295 | K | 59.7 | Low | 61.5 | Low | 198 Ų | 198 | 121.3 Ų | 121.3 | 86% | 0.861 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -114.2 | -18.1 | 173.7 | -93.8 | -167.5 | 168.9 | -168.8 | 0 | 114.7 | Q292 A293 | Q292-K295 CarbonylContact O-C 3.55Å; Q292-K295 WeakPolarHBondContact O-CA 3.34Å; Q292-K295 PolarHBondContact O-N 3.37Å; A293-K295 PolarHBondContact O-N 2.85Å |
| 296 | G | 50 | Low | 58.9 | Low | 65 Ų | 65 | 127.8 Ų | 127.8 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -107.5 | -14 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q292 A293 Q298 | Q292-G296 PolarHBondContact O-N 3.47Å; A293-G296 PolarHBondContact O-N 3.07Å; G296-Q298 PolarHBondContact O-N 3.48Å |
| 297 | G | 41.8 | Very low | 56.9 | Low | 69 Ų | 69 | 130.5 Ų | 130.5 | 71% | 0.711 | 70% | 0.7 | S | S | * | * | | | trans | -74.3 | 77.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A293 | A293-G297 PolarHBondContact O-N 2.97Å; A293-G297 VanDerWaalsContact O-N 3.16Å |
| 298 | Q | 44.4 | Very low | 54.7 | Low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | | | trans | -67.6 | 156.1 | 157.9 | -172.2 | 169 | -2.7 | 0 | 0 | 110.2 | G296 L300 | G296-Q298 PolarHBondContact O-N 3.48Å; Q298-L300 PolarHBondContact O-N 2.9Å |
| 299 | E | 36.2 | Very low | 52.4 | Low | 182 Ų | 182 | 137.3 Ų | 137.3 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -58.7 | 127.9 | -178 | -57.4 | 176.5 | 119.5 | 0 | 0 | 112.8 | | |
| 300 | L | 45.6 | Very low | 50.4 | Low | 179 Ų | 179 | 137.7 Ų | 137.7 | 94% | 0.937 | 73% | 0.73 | S | S | * | * | | | trans | -178.5 | 121.1 | 146.6 | -99.9 | 160.1 | 0 | 0 | 0 | 109.2 | Q298 | Q298-L300 PolarHBondContact O-N 2.9Š|
| 301 | G | 40.7 | Very low | 48.6 | Very low | 67 Ų | 67 | 137.4 Ų | 137.4 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 159.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S303 | G301-S303 PolarHBondContact O-N 3.48Š|
| 302 | P | 42.1 | Very low | 46.7 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 90% | 0.903 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 119.6 | 176.8 | -8.8 | 26.5 | 0 | 0 | 0 | 112.4 | | |
| 303 | S | 34 | Very low | 44.7 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 147.7 | 173.5 | 173.4 | 0 | 0 | 0 | 0 | 113.1 | G301 | G301-S303 PolarHBondContact O-N 3.48Š|
| 304 | K | 47.7 | Very low | 43 | Very low | 181 Ų | 181 | 143.2 Ų | 143.2 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -157.4 | 107.2 | 151 | -108.3 | 147.7 | -170.9 | 173.9 | 0 | 114.3 | | |
| 305 | R | 41.1 | Very low | 41.8 | Very low | 211 Ų | 211 | 137.4 Ų | 137.4 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | | | trans | 70.3 | 116.8 | 139.5 | -60.4 | 172.2 | 174.7 | 179.8 | -4.2 | 120.7 | | |
| 306 | R | 36.8 | Very low | 40.5 | Very low | 232 Ų | 232 | 133.2 Ų | 133.2 | 88% | 0.875 | 76% | 0.761 | S | S | * | * | | | trans | 61.4 | 148.5 | 131.1 | -67.2 | -175.5 | 169 | -155.9 | -0.4 | 118.1 | | |
| 307 | L | 45.3 | Very low | 39.6 | Very low | 113 Ų | 113 | 140.7 Ų | 140.7 | 59% | 0.592 | 77% | 0.769 | S | S | * | * | | | cis | -156.9 | 139.6 | 10.4 | -157.8 | 87 | 0 | 0 | 0 | 109 | | |
| 308 | Q | 44.7 | Very low | 39.1 | Very low | 163 Ų | 163 | 144 Ų | 144 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 49.4 | 153.2 | 153.7 | -68.9 | 160.3 | -6.5 | 0 | 0 | 119.7 | | |
| 309 | D | 38.7 | Very low | 38.9 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | | | cis | -144 | 134.7 | -0.1 | -123.5 | 13.8 | 0 | 0 | 0 | 107.8 | | |
| 310 | V | 44.1 | Very low | 38.6 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | | 65.2 | 101.6 | 103.4 | -179.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 311 | A | 45.4 | Very low | 38 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 84% | 0.843 | 75% | 0.748 | S | S | * | * | | | trans | 43.5 | 157.6 | 133.7 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 312 | G | 38.9 | Very low | 37.6 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | | | cis | 139.1 | 163 | -5.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 313 | R | 34.3 | Very low | 37.1 | Very low | 242 Ų | 242 | 137.8 Ų | 137.8 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | | | trans | 74.1 | 153.8 | 176.7 | -63.3 | -174.9 | 174.2 | -85.2 | 2.4 | 118.4 | | |
| 314 | G | 33.2 | Very low | 37.2 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | | | trans | 129.1 | 74.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 315 | C | 32.6 | Very low | 36.5 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 64% | 0.635 | 74% | 0.741 | S | S | * | * | | | cis | 61.6 | 120.3 | 27.1 | -58.3 | 0 | 0 | 0 | 0 | 112 | | |
| 316 | C | 33.7 | Very low | 36.2 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | | | cis | -155 | 170 | 12 | -86.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 317 | R | 30.4 | Very low | 36.1 | Very low | 223 Ų | 223 | 130.5 Ų | 130.5 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | | | trans | 68.1 | 165.8 | 147.2 | -87.8 | 176.6 | -176.4 | -171.3 | 1.3 | 117.2 | | |
| 318 | D | 31.8 | Very low | 35.7 | Very low | 137 Ų | 137 | 128.6 Ų | 128.6 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | cis | -124.8 | 171.9 | 9.9 | -101.7 | -48.1 | 0 | 0 | 0 | 113.9 | | |
| 319 | P | 40.4 | Very low | 35.5 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -110.2 | 174.5 | -165.5 | 42.3 | -37.7 | 0 | 0 | 0 | 116.3 | | |
| 320 | N | 29.8 | Very low | 35.2 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | 77.3 | 174.5 | 151.3 | -155.7 | 12.4 | 0 | 0 | 0 | 117.8 | | |
| 321 | A | 32.2 | Very low | 34.8 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 60% | 0.603 | 75% | 0.749 | S | S | * | * | | | trans | 88.3 | 104.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 322 | Q | 33.1 | Very low | 34.3 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | 65.1 | 97.9 | 132 | -63.5 | 174.1 | -15.8 | 0 | 0 | 119.4 | | |
| 323 | S | 31 | Very low | 34.3 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | | | | 97.7 | 160.2 | 103.9 | 89.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 324 | S | 36.1 | Very low | 34.2 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | cis | -141 | 147.6 | 7.2 | -81.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 325 | F | 33.8 | Very low | 34.3 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 83% | 0.829 | 74% | 0.737 | S | S | * | * | | | | 20.1 | 145.4 | 123.1 | -48.1 | -64.1 | 0 | 0 | 0 | 119.1 | | |
| 326 | S | 34 | Very low | 34.3 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | | | cis | -166.9 | -169.9 | 2 | 50.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 327 | K | 35.2 | Very low | 34.2 | Very low | 194 Ų | 194 | 143 Ų | 143 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | | | cis | -164.1 | 152.8 | 18.9 | -150.5 | 168.8 | -179.3 | 178.3 | 0 | 110.7 | | |
| 328 | S | 36.9 | Very low | 34.2 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 50% | 0.503 | 74% | 0.735 | S | S | . | * | | | trans | -100.3 | 171.6 | 166 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | W330 | S328-W330 PolarHBondContact OG-NE1 3.43Š|
| 329 | P | 40.3 | Very low | 34.2 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | | -135.4 | 154.5 | 95.2 | 19.3 | 2.2 | 0 | 0 | 0 | 113.2 | | |
| 330 | W | 31.7 | Very low | 34 | Very low | 228 Ų | 228 | 137 Ų | 137 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | | | cis | 88.3 | 99.9 | 37.1 | -69 | 127 | 0 | 0 | 0 | 116 | S328 | S328-W330 PolarHBondContact OG-NE1 3.43Š|
| 331 | A | 35.7 | Very low | 34 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | | | trans | -165 | 126.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 332 | M | 35.2 | Very low | 34.3 | Very low | 175 Ų | 175 | 143 Ų | 143 | 86% | 0.862 | 74% | 0.735 | S | S | * | * | | | | 56.5 | 130.5 | 69.1 | -73.3 | -168.4 | 172.4 | 0 | 0 | 113.1 | | |
| 333 | T | 39.9 | Very low | 34.5 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | cis | -149.2 | 171.6 | 19.2 | -22 | 0 | 0 | 0 | 0 | 112.9 | | |
| 334 | E | 31.2 | Very low | 34.5 | Very low | 129 Ų | 129 | 145.4 Ų | 145.4 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | | | trans | -10.5 | 147.1 | 151.8 | -68.1 | 171.9 | -130.5 | 0 | 0 | 117.9 | | |
| 335 | R | 34.4 | Very low | 34.3 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | | | | -167.6 | 145.3 | 55.2 | -125.1 | 133.2 | -148.1 | -160.5 | 14.5 | 114.1 | | |
| 336 | K | 32.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 142 Ų | 142 | 67% | 0.67 | 73% | 0.732 | S | S | * | * | | | trans | 37.9 | 127.3 | 130.1 | -65.3 | -173.4 | -174.2 | -177.4 | 0 | 121.8 | | |
| 337 | H | 32.9 | Very low | 34.2 | Very low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | 56.7 | 144.1 | 131.4 | -49.6 | -42.5 | 0 | 0 | 0 | 119.8 | | |
| 338 | S | 29.1 | Very low | 34.1 | Very low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 74% | 0.737 | S | S | * | * | | | cis | -163.3 | -171.5 | 1.2 | -115 | 0 | 0 | 0 | 0 | 111.1 | | |
| 339 | S | 32.6 | Very low | 33.7 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -37.2 | 156.2 | 160.2 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 340 | L | 35.4 | Very low | 33.3 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | | -164.3 | 173.2 | 81.5 | -159.5 | 56.1 | 0 | 0 | 0 | 114.8 | | |
| 341 | E | 31.6 | Very low | 33.6 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | -42.6 | 159.3 | 177.8 | -50.3 | 156.9 | 100.7 | 0 | 0 | 117.7 | | |
| 342 | R | 37.1 | Very low | 33.4 | Very low | 222 Ų | 222 | 152.2 Ų | 152.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | | | | 156.6 | 145.4 | 111.1 | -171.5 | 169 | -63.8 | 164.5 | 5.2 | 111.1 | | |
| 343 | A | 36.7 | Very low | 33.2 | Very low | 75 Ų | 75 | 148.7 Ų | 148.7 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | | | cis | 174.9 | 132.3 | -46.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 344 | R | 32.1 | Very low | 32.7 | Very low | 251 Ų | 251 | 148.5 Ų | 148.5 | 95% | 0.947 | 74% | 0.74 | S | S | * | * | | | trans | 62.5 | 161.1 | 173 | -50.9 | 179.6 | -173.3 | -171.7 | 2.4 | 114.1 | | |
| 345 | S | 31 | Very low | 33 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | | | cis | -151.3 | 124.1 | 1.8 | 28.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 346 | V | 32.1 | Very low | 33.1 | Very low | 112 Ų | 112 | 145 Ų | 145 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | | 70.4 | 143 | 80.1 | -156 | 0 | 0 | 0 | 0 | 114.6 | | |
| 347 | H | 35.2 | Very low | 33.1 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 69.5 | 147.2 | -169.4 | -25.5 | -68.1 | 0 | 0 | 0 | 113.2 | | |
| 348 | T | 31.7 | Very low | 33.2 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | cis | -137.4 | -179.3 | 13.2 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 349 | W | 29.5 | Very low | 33.3 | Very low | 228 Ų | 228 | 147.7 Ų | 147.7 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -125.9 | 137 | -155.6 | -159.5 | 6.3 | 0 | 0 | 0 | 113.6 | | |
| 350 | E | 32 | Very low | 33.3 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | 65.3 | 172.8 | 162.9 | -66.7 | -95.4 | 140.2 | 0 | 0 | 117.1 | | |
| 351 | P | 37.5 | Very low | 33.2 | Very low | 82 Ų | 82 | 147.5 Ų | 147.5 | 53% | 0.532 | 77% | 0.773 | S | S | . | * | | | | -138.4 | 160.9 | -62.2 | 39.3 | -24.2 | 0 | 0 | 0 | 115.3 | | |
| 352 | W | 32.3 | Very low | 33.8 | Very low | 242 Ų | 242 | 146.3 Ų | 146.3 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | 165.3 | 130.1 | 132.4 | -86.1 | 3.1 | 0 | 0 | 0 | 116.1 | | |
| 353 | S | 29.7 | Very low | 33.6 | Very low | 102 Ų | 102 | 144.8 Ų | 144.8 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | 28 | 121.1 | 134 | -54 | 0 | 0 | 0 | 0 | 124.8 | | |
| 354 | S | 29.9 | Very low | 33.6 | Very low | 110 Ų | 110 | 152 Ų | 152 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | | 93.4 | 159 | 117.7 | 76.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 355 | S | 37.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 69.5 | 152.1 | -174.3 | 82.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 356 | T | 37.3 | Very low | 33.8 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | cis | -140.7 | 180 | 7.6 | 43 | 0 | 0 | 0 | 0 | 109.1 | | |
| 357 | A | 32.6 | Very low | 33.7 | Very low | 89 Ų | 89 | 149 Ų | 149 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | cis | -168.9 | -177.7 | -33.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 358 | R | 34.4 | Very low | 33.5 | Very low | 222 Ų | 222 | 146 Ų | 146 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | 83.3 | 125.9 | -169.9 | -65.5 | -175.9 | 152.3 | 171 | -6 | 114.9 | | |
| 359 | E | 31 | Very low | 33.3 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | cis | 76.4 | 131.9 | 44.1 | -57 | 165 | 154.2 | 0 | 0 | 111.8 | | |
| 360 | S | 33.4 | Very low | 33.5 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | cis | -133.9 | 163 | 30.6 | -66.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 361 | C | 32 | Very low | 33.5 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -81.7 | -177 | 165.9 | -125.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 362 | P | 44.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | cis | -140 | 155.8 | 33.1 | 40.8 | -21.3 | 0 | 0 | 0 | 119 | | |
| 363 | Q | 33.1 | Very low | 33.1 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -74.9 | 132.9 | 156.7 | 176.5 | 177.3 | -56.4 | 0 | 0 | 110.6 | | |
| 364 | R | 36.6 | Very low | 33.1 | Very low | 227 Ų | 227 | 141.9 Ų | 141.9 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | | | trans | -141.1 | 145 | 164.6 | -171 | 169.1 | -71.9 | -129.3 | 1.5 | 110.4 | | |
| 365 | A | 30.9 | Very low | 33.1 | Very low | 82 Ų | 82 | 145.9 Ų | 145.9 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | trans | -102.2 | -153.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 366 | W | 36 | Very low | 32.9 | Very low | 250 Ų | 250 | 150.1 Ų | 150.1 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | | | trans | 76.7 | 132.1 | -165.6 | -48.7 | 102.6 | 0 | 0 | 0 | 113.6 | | |
| 367 | G | 30.5 | Very low | 32.7 | Very low | 64 Ų | 64 | 154.9 Ų | 154.9 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | cis | 135.9 | 130 | -9.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 368 | A | 31.5 | Very low | 33.1 | Very low | 104 Ų | 104 | 155 Ų | 155 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | 61.8 | 160.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 369 | Q | 27.9 | Very low | 33 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | cis | -161.5 | 124 | -30.1 | 169.5 | 177.1 | 16.6 | 0 | 0 | 107 | | |
| 370 | G | 33.1 | Very low | 33 | Very low | 80 Ų | 80 | 149.5 Ų | 149.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -156.4 | 110 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 371 | Q | 32 | Very low | 33.3 | Very low | 158 Ų | 158 | 148.6 Ų | 148.6 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | | | trans | -90.3 | 158.5 | -168.9 | -70.7 | -175.5 | -19.6 | 0 | 0 | 113.5 | R373 | Q371-R373 PolarHBondContact O-N 2.87Š|
| 372 | D | 30 | Very low | 33.6 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -56.1 | 126.2 | 157.8 | -62.5 | -80 | 0 | 0 | 0 | 112.1 | | |
| 373 | R | 31.3 | Very low | 33 | Very low | 221 Ų | 221 | 151.7 Ų | 151.7 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -177.7 | 112.3 | 143.4 | -94.7 | 145.8 | -166.8 | -142 | 4.1 | 106.7 | Q371 | Q371-R373 PolarHBondContact O-N 2.87Š|
| 374 | S | 30 | Very low | 33.1 | Very low | 89 Ų | 89 | 151.7 Ų | 151.7 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | | | cis | 69.5 | 110.7 | 42.2 | 96.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 375 | F | 28.6 | Very low | 33.2 | Very low | 195 Ų | 195 | 147.5 Ų | 147.5 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | 54.7 | 107.8 | 167 | -47.8 | -75.7 | 0 | 0 | 0 | 119.5 | | |
| 376 | Q | 33.7 | Very low | 33.4 | Very low | 202 Ų | 202 | 147 Ų | 147 | 94% | 0.944 | 77% | 0.768 | S | S | * | * | | | | -137.5 | 138.8 | 113.8 | -78.6 | -152.8 | -14.6 | 0 | 0 | 112.4 | | |
| 377 | R | 34.6 | Very low | 33.5 | Very low | 234 Ų | 234 | 141.5 Ų | 141.5 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | | | trans | -116.6 | 137.4 | 163.6 | 157.8 | -165.6 | -71 | 176.1 | -2.5 | 102.7 | | |
| 378 | P | 39.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 60% | 0.597 | 76% | 0.76 | S | S | * | * | | | | -138.3 | -162.6 | 66.3 | 40.2 | -19.6 | 0 | 0 | 0 | 112 | | |
| 379 | E | 32.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | cis | -148.6 | -176.9 | 11.1 | -153.7 | 112.2 | -123.6 | 0 | 0 | 112.2 | | |
| 380 | S | 31.8 | Very low | 34.8 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -101.1 | -178.9 | -175.3 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 381 | P | 40.3 | Very low | 34.9 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | cis | -155.9 | -178.7 | 30.8 | 46.9 | -25.2 | 0 | 0 | 0 | 121.1 | | |
| 382 | H | 37.4 | Very low | 35.4 | Very low | 163 Ų | 163 | 151 Ų | 151 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | 72.1 | 126.1 | 145.8 | -81.2 | -61.3 | 0 | 0 | 0 | 123.8 | | |
| 383 | E | 33.1 | Very low | 35.5 | Very low | 135 Ų | 135 | 154.8 Ų | 154.8 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | | | trans | 70.1 | 145.9 | 144.5 | -64.4 | -163.1 | 113.8 | 0 | 0 | 119 | | |
| 384 | R | 34 | Very low | 35.6 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | | | cis | -153.2 | 165.5 | 6.6 | -127.1 | 168.5 | -146.4 | 166 | 19.5 | 111.5 | | |
| 385 | L | 39.5 | Very low | 35.7 | Very low | 140 Ų | 140 | 150 Ų | 150 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | 25.5 | 114.4 | 152.5 | -62.4 | 158.6 | 0 | 0 | 0 | 118.1 | | |
| 386 | G | 35.1 | Very low | 36.2 | Very low | 72 Ų | 72 | 149.3 Ų | 149.3 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | | 125.5 | 173.3 | 74 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 387 | H | 38.4 | Very low | 36.3 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 62% | 0.616 | 76% | 0.755 | S | S | * | * | | | cis | -159.8 | 142.7 | 4.6 | -98.9 | -82 | 0 | 0 | 0 | 109.9 | | |
| 388 | F | 34.7 | Very low | 36.4 | Very low | 189 Ų | 189 | 136.8 Ų | 136.8 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | 60.6 | 156.5 | 159.2 | -53.4 | -50.1 | 0 | 0 | 0 | 118.7 | | |
| 389 | S | 42.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | cis | -145 | 154.9 | -8.7 | 35.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 390 | Q | 39.2 | Very low | 36.2 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -45.6 | 140.9 | 173.7 | -64.5 | -176.1 | 43.3 | 0 | 0 | 115.3 | | |
| 391 | R | 35.8 | Very low | 36.3 | Very low | 217 Ų | 217 | 138.4 Ų | 138.4 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | | 95 | -178.9 | 71.4 | -130.6 | -150.2 | 173.3 | -152.4 | -0.7 | 110.8 | | |
| 392 | P | 42.5 | Very low | 35.8 | Very low | 79 Ų | 79 | 139 Ų | 139 | 51% | 0.513 | 77% | 0.773 | S | S | . | * | | | | -149.7 | -170.4 | -104.4 | 51 | -33.9 | 0 | 0 | 0 | 119.6 | | |
| 393 | W | 32.3 | Very low | 36.2 | Very low | 233 Ų | 233 | 136.6 Ų | 136.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | 67.7 | 145 | 144.3 | -79.1 | 105.2 | 0 | 0 | 0 | 121.9 | | |
| 394 | S | 33 | Very low | 36.4 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 86.6 | 148.7 | 150.9 | -63.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 395 | A | 31.6 | Very low | 36.6 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -110.9 | 159 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 396 | L | 38.6 | Very low | 36.6 | Very low | 181 Ų | 181 | 135.2 Ų | 135.2 | 95% | 0.948 | 78% | 0.775 | S | S | * | * | | | trans | -153.9 | 169 | 159.2 | -111.8 | 167.4 | 0 | 0 | 0 | 109.5 | | |
| 397 | A | 35.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | trans | -110.8 | 165.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 398 | G | 37.2 | Very low | 36.7 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 89 | 163.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 399 | Q | 34.4 | Very low | 37 | Very low | 190 Ų | 190 | 136.4 Ų | 136.4 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | cis | -172 | 150.9 | -20.7 | -176.9 | 171.7 | 22.8 | 0 | 0 | 106.9 | | |
| 400 | A | 33 | Very low | 36.6 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | | | trans | 68.1 | 132.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 401 | C | 34.6 | Very low | 36.6 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 86% | 0.858 | 79% | 0.787 | S | S | * | * | | | trans | 55.2 | 122 | 136.3 | -60 | 0 | 0 | 0 | 0 | 123.2 | | |
| 402 | S | 28.5 | Very low | 36.7 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 170.2 | 152 | -39.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 403 | P | 46.3 | Very low | 36.3 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -154.3 | -171.9 | 96.4 | 40.4 | -21.8 | 0 | 0 | 0 | 115.9 | | |
| 404 | Q | 36.7 | Very low | 36.8 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | 61.8 | 109.9 | 154.8 | -109.8 | 60.1 | -62.1 | 0 | 0 | 118.1 | | |
| 405 | R | 39.9 | Very low | 37.2 | Very low | 209 Ų | 209 | 130.3 Ų | 130.3 | 79% | 0.789 | 78% | 0.775 | S | S | * | * | | | cis | 89.3 | 112.9 | 47 | -178.1 | -150.1 | -51.2 | -135.3 | 2.4 | 114 | | |
| 406 | A | 37.9 | Very low | 37.4 | Very low | 87 Ų | 87 | 130.7 Ų | 130.7 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | | | trans | -159.7 | 131.8 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 407 | W | 38.8 | Very low | 37.4 | Very low | 253 Ų | 253 | 131.5 Ų | 131.5 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | | | trans | 4.9 | 146.6 | 150.3 | -48.7 | 79.2 | 0 | 0 | 0 | 120.4 | | |
| 408 | G | 38.3 | Very low | 37.4 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | cis | 179.2 | -175.5 | 2.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 409 | A | 39.3 | Very low | 37.8 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | cis | -164.4 | 168.3 | -4.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 410 | Q | 36.1 | Very low | 37.9 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | | | trans | 64.6 | 135.6 | 151.4 | -167.2 | 164.6 | -13.4 | 0 | 0 | 117.9 | | |
| 411 | R | 37.5 | Very low | 38.1 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | cis | -163.8 | 166.2 | -7.5 | -119.4 | 179.1 | -152.9 | -120.1 | 11.8 | 105.1 | | |
| 412 | Q | 38.3 | Very low | 38.8 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | cis | -160.9 | -172.9 | -5.2 | -153.5 | -178.3 | -88.7 | 0 | 0 | 108.3 | | |
| 413 | G | 35.6 | Very low | 39.7 | Very low | 49 Ų | 49 | 133.5 Ų | 133.5 | 51% | 0.505 | 75% | 0.754 | S | S | . | * | | | trans | -136.7 | -146.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 414 | P | 42.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | | | cis | -141.3 | -147.7 | -7.6 | 43.2 | -23.1 | 0 | 0 | 0 | 112.7 | | |
| 415 | S | 40 | Very low | 39.6 | Very low | 106 Ų | 106 | 135.4 Ų | 135.4 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | 83 | 148.4 | 161.5 | 82.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 416 | S | 36.6 | Very low | 39.5 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | cis | -167.8 | 171.1 | -18.5 | -101.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 417 | Q | 38.9 | Very low | 39.1 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | 89.4 | 164.6 | 161 | -49.2 | -154.1 | -8.5 | 0 | 0 | 120.3 | | |
| 418 | R | 35.3 | Very low | 39.2 | Very low | 209 Ų | 209 | 130.9 Ų | 130.9 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | | | trans | -149.8 | -162.8 | -158.2 | -137.7 | -169.9 | 176.7 | -165.9 | 5.8 | 105.9 | | |
| 419 | P | 45 | Very low | 39 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | cis | -124.3 | -173 | -35.3 | 36.8 | -19.3 | 0 | 0 | 0 | 112.7 | | |
| 420 | G | 37.8 | Very low | 39.2 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | trans | 176.2 | 135 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 421 | S | 35.4 | Very low | 39.4 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -154.5 | -157.5 | -174.8 | -64 | 0 | 0 | 0 | 0 | 111.7 | | |
| 422 | P | 51.3 | Low | 39.1 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | | -114.4 | -137.7 | -98.8 | 40.2 | -21.4 | 0 | 0 | 0 | 109.9 | | |
| 423 | P | 46.5 | Very low | 39.3 | Very low | 104 Ų | 104 | 133.8 Ų | 133.8 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | | | cis | -135.8 | -165.5 | -21 | 34.2 | -11.4 | 0 | 0 | 0 | 115.1 | | |
| 424 | E | 38 | Very low | 39.2 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 65% | 0.654 | 77% | 0.765 | S | S | * | * | | | trans | 108.1 | 139.3 | 130.7 | -101.5 | -165.2 | 142.7 | 0 | 0 | 124.5 | | |
| 425 | K | 42 | Very low | 38.9 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | 84.2 | 121.7 | 144.1 | -80.3 | 160.7 | 176.6 | 141.2 | 0 | 123 | | |
| 426 | R | 38.8 | Very low | 38.6 | Very low | 239 Ų | 239 | 141 Ų | 141 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | 92.3 | 111.3 | 146.2 | -67.9 | 173.1 | 178.5 | 177.4 | -1.1 | 121.1 | | |
| 427 | S | 29.3 | Very low | 38.6 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | -92.4 | -176.7 | 151.4 | -140.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 428 | P | 41.1 | Very low | 38.4 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | cis | -141.2 | -169.1 | 8.7 | 42.7 | -21.3 | 0 | 0 | 0 | 117.3 | | |
| 429 | F | 32.6 | Very low | 38.5 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | -29.5 | 176.7 | 150.9 | -67.3 | -84.9 | 0 | 0 | 0 | 118.5 | | |
| 430 | P | 44.2 | Very low | 37.9 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | | | cis | -132.1 | -178.7 | -17.2 | 30.7 | -11.1 | 0 | 0 | 0 | 114 | | |
| 431 | Q | 39.7 | Very low | 37.9 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | | -166.5 | 170.4 | 129.1 | -107.3 | 166.4 | 23.4 | 0 | 0 | 114 | | |
| 432 | Q | 32.6 | Very low | 37.9 | Very low | 176 Ų | 176 | 138 Ų | 138 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -149.4 | -178.5 | -165.7 | -132.2 | -150.6 | -14.5 | 0 | 0 | 107 | | |
| 433 | P | 42.3 | Very low | 37.4 | Very low | 82 Ų | 82 | 138.1 Ų | 138.1 | 53% | 0.532 | 76% | 0.757 | S | S | . | * | | | cis | -125.2 | -141.6 | -41.7 | 22.5 | 3.3 | 0 | 0 | 0 | 110.1 | | |
| 434 | W | 33.5 | Very low | 37 | Very low | 237 Ų | 237 | 143.2 Ų | 143.2 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | 82.3 | 145.4 | 164.9 | -61.7 | 19.5 | 0 | 0 | 0 | 115.3 | | |
| 435 | S | 35.5 | Very low | 36.7 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | cis | -161.7 | 163.2 | -6.4 | -114.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 436 | A | 33.9 | Very low | 36.2 | Very low | 94 Ų | 94 | 141.6 Ų | 141.6 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | 65.5 | 158.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 437 | V | 37.1 | Very low | 35.9 | Very low | 138 Ų | 138 | 140.6 Ų | 140.6 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | | | cis | -152.1 | 177.8 | -15.7 | 116.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 438 | A | 34.9 | Very low | 36.1 | Very low | 81 Ų | 81 | 141.6 Ų | 141.6 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | -34.9 | 155.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 439 | T | 36.2 | Very low | 35.9 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 86% | 0.859 | 76% | 0.758 | S | S | * | * | | | | -160.4 | 173.1 | 61 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 440 | Q | 33.3 | Very low | 36.1 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | -100.2 | -155.1 | -167.3 | -151.1 | -151.3 | 27.1 | 0 | 0 | 113.1 | | |
| 441 | P | 37.4 | Very low | 35.8 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | | | | -101.5 | -171.5 | -106.8 | 39.8 | -26.5 | 0 | 0 | 0 | 117.7 | | |
| 442 | C | 36.2 | Very low | 35.5 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -53.5 | 163.2 | 176.8 | -35.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 443 | P | 40.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 136 Ų | 136 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | | -151.8 | 132.8 | 105.2 | 36.4 | -18.5 | 0 | 0 | 0 | 118.9 | | |
| 444 | R | 37.4 | Very low | 35.5 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | | 21.7 | 124.3 | 117.4 | -172.4 | -157.6 | -172.2 | -177.8 | 5.2 | 119.8 | | |
| 445 | R | 31.8 | Very low | 35.5 | Very low | 182 Ų | 182 | 136 Ų | 136 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | | 146.2 | 127.1 | 119.8 | -179.6 | 174.9 | -82.4 | -88.2 | 12.8 | 118 | | |
| 446 | A | 32 | Very low | 35.8 | Very low | 76 Ų | 76 | 137 Ų | 137 | 63% | 0.628 | 75% | 0.752 | S | S | * | * | | | trans | 64.1 | 170 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 447 | W | 32.4 | Very low | 36 | Very low | 217 Ų | 217 | 135.3 Ų | 135.3 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | | | cis | -148.7 | 152.9 | 22.7 | -73.1 | 75.5 | 0 | 0 | 0 | 114.9 | | |
| 448 | T | 33.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | trans | 42.4 | 164.8 | 142.8 | 60.5 | 0 | 0 | 0 | 0 | 122 | | |
| 449 | A | 36.9 | Very low | 36.2 | Very low | 78 Ų | 78 | 142.5 Ų | 142.5 | 65% | 0.645 | 76% | 0.755 | S | S | * | * | | | cis | -152.9 | 179.6 | 11.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 450 | C | 36.4 | Very low | 36.3 | Very low | 107 Ų | 107 | 144 Ų | 144 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | trans | 66.1 | 143 | 159.4 | -58.8 | 0 | 0 | 0 | 0 | 119 | | |
| 451 | E | 38.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 80% | 0.799 | 76% | 0.762 | S | S | * | * | | | cis | -158.6 | -175.9 | -23.5 | -138.2 | 146.4 | -102.9 | 0 | 0 | 111.7 | | |
| 452 | T | 32.9 | Very low | 36.5 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 58% | 0.583 | 77% | 0.772 | S | S | * | * | | | trans | -64.2 | 164 | -173.1 | 40.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 453 | W | 38.5 | Very low | 36.7 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | cis | -156.3 | 152.6 | 45.8 | -70.5 | 85.8 | 0 | 0 | 0 | 116.8 | | |
| 454 | E | 37.2 | Very low | 36.7 | Very low | 174 Ų | 174 | 152.6 Ų | 152.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | 65.4 | 143.8 | 145.4 | -76.4 | 168.9 | 179.5 | 0 | 0 | 125.1 | | |
| 455 | D | 34.1 | Very low | 36.7 | Very low | 146 Ų | 146 | 151.2 Ų | 151.2 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | | | trans | -105.2 | -176.4 | -178.6 | -151.5 | 33.4 | 0 | 0 | 0 | 107.2 | | |
| 456 | P | 41.3 | Very low | 37 | Very low | 119 Ų | 119 | 154 Ų | 154 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | cis | -144.8 | 153.9 | 17 | 41.3 | -19.5 | 0 | 0 | 0 | 120.6 | | |
| 457 | G | 37 | Very low | 37.5 | Very low | 58 Ų | 58 | 155.7 Ų | 155.7 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | | | trans | 120.2 | 153.4 | 134.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 458 | P | 40.1 | Very low | 37.8 | Very low | 126 Ų | 126 | 151.2 Ų | 151.2 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -132.8 | 144.4 | -135.9 | 36.7 | -19.5 | 0 | 0 | 0 | 116.3 | | |
| 459 | R | 37.1 | Very low | 38.4 | Very low | 245 Ų | 245 | 151 Ų | 151 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -145.5 | 135.1 | 155.9 | -68.6 | -167.2 | -173.6 | -103 | -1.4 | 112.4 | | |
| 460 | L | 38.3 | Very low | 38.5 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -71.7 | 136.1 | 167.1 | -67.2 | 82.6 | 0 | 0 | 0 | 110.4 | | |
| 461 | R | 39.6 | Very low | 38.7 | Very low | 240 Ų | 240 | 152.9 Ų | 152.9 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | trans | -143 | 146 | 154.3 | -80.3 | -164.1 | 169.3 | -175.2 | -2.4 | 110.8 | | |
| 462 | N | 35.2 | Very low | 38.9 | Very low | 163 Ų | 163 | 153 Ų | 153 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | -75.7 | 140.8 | 175.9 | -62.6 | -36.5 | 0 | 0 | 0 | 110.8 | | |
| 463 | P | 39.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 159.6 Ų | 159.6 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | trans | -85.8 | 126.2 | 163.7 | 33.4 | -30.2 | 0 | 0 | 0 | 110.7 | | |
| 464 | L | 40.2 | Very low | 39.3 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | | 161 | 88.5 | 99.9 | -171.9 | 56.1 | 0 | 0 | 0 | 109.8 | | |
| 465 | E | 37.6 | Very low | 39.3 | Very low | 183 Ų | 183 | 159.1 Ų | 159.1 | 86% | 0.855 | 83% | 0.829 | S | S | * | * | | | trans | -69.5 | 149.7 | 169.8 | -174.8 | 167.8 | -147 | 0 | 0 | 110.5 | | |
| 466 | R | 39.2 | Very low | 39.3 | Very low | 240 Ų | 240 | 157.3 Ų | 157.3 | 91% | 0.906 | 83% | 0.828 | S | S | * | * | | | trans | -125.7 | 113.9 | 175.8 | -155.7 | -179 | -153.8 | -175.1 | 7.4 | 109.5 | | |
| 467 | P | 42 | Very low | 39 | Very low | 112 Ų | 112 | 156.8 Ų | 156.8 | 73% | 0.727 | 83% | 0.827 | S | S | * | * | | | trans | -83.1 | 162.7 | -168.4 | 32.8 | -36.8 | 0 | 0 | 0 | 113.5 | | |
| 468 | S | 38.8 | Very low | 39 | Very low | 122 Ų | 122 | 160 Ų | 160 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | | | trans | -151.5 | 151.9 | 161.3 | -74.8 | 0 | 0 | 0 | 0 | 110 | | |
| 469 | P | 46.5 | Very low | 39 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | | | trans | -100.7 | 167.7 | -147.8 | 37.9 | -37 | 0 | 0 | 0 | 116.2 | | |
| 470 | P | 38.6 | Very low | 39.1 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | | | trans | -101.3 | 144.1 | -172.9 | 37.6 | -33.9 | 0 | 0 | 0 | 115.8 | | |
| 471 | A | 41.6 | Very low | 39.1 | Very low | 96 Ų | 96 | 151.2 Ų | 151.2 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -169.8 | 158.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 472 | Q | 41.4 | Very low | 39 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | cis | -161 | 125.7 | -34.3 | -96.5 | -145.6 | 37 | 0 | 0 | 107.5 | | |
| 473 | R | 39.9 | Very low | 39.2 | Very low | 235 Ų | 235 | 146.6 Ų | 146.6 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | 39.9 | 150 | 162.2 | -62.6 | -171.9 | -171.6 | -102.7 | 3.1 | 122.7 | | |
| 474 | P | 40.8 | Very low | 39 | Very low | 112 Ų | 112 | 144.1 Ų | 144.1 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -101.8 | 173.3 | 172.5 | 41.1 | -35.7 | 0 | 0 | 0 | 113.6 | | |
| 475 | W | 36.2 | Very low | 39.4 | Very low | 261 Ų | 261 | 141.8 Ų | 141.8 | 99% | 0.989 | 80% | 0.804 | S | S | * | * | | | trans | -160.9 | 166.4 | 146.5 | -95.4 | -6.6 | 0 | 0 | 0 | 113.8 | | |
| 476 | S | 34.5 | Very low | 39.6 | Very low | 108 Ų | 108 | 141.1 Ų | 141.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -86.2 | 170.5 | -161.3 | -41.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 477 | S | 34.6 | Very low | 39.7 | Very low | 108 Ų | 108 | 133.6 Ų | 133.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | | 165 | 134.9 | 111.7 | -72.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 478 | S | 36.8 | Very low | 39.8 | Very low | 125 Ų | 125 | 137.7 Ų | 137.7 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | | | trans | 75.3 | 156.3 | 139.4 | 76.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 479 | G | 40 | Very low | 40 | Very low | 67 Ų | 67 | 135.3 Ų | 135.3 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | | | trans | 92 | 94 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 480 | V | 40.7 | Very low | 39.7 | Very low | 139 Ų | 139 | 141.1 Ų | 141.1 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | cis | 85 | 135.6 | 36.5 | -171.9 | 0 | 0 | 0 | 0 | 114.3 | | |
| 481 | Q | 38.1 | Very low | 39.8 | Very low | 153 Ų | 153 | 138 Ų | 138 | 72% | 0.715 | 80% | 0.796 | S | S | * | * | | | trans | 88.6 | 142.4 | -180 | -56.6 | -157 | 64.3 | 0 | 0 | 116.6 | | |
| 482 | R | 36.5 | Very low | 39.9 | Very low | 209 Ų | 209 | 141.4 Ų | 141.4 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | cis | -165.2 | 141.1 | -10.5 | 164.4 | -170.1 | -63.8 | -139.2 | 5.2 | 111.5 | | |
| 483 | A | 40.4 | Very low | 39.7 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | 62.9 | 147.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 484 | G | 35.9 | Very low | 39.5 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | -116.1 | -132.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 485 | P | 47.2 | Very low | 39.8 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | cis | -141.2 | -167.3 | -16 | 37.8 | -16.4 | 0 | 0 | 0 | 114.1 | | |
| 486 | Q | 41.2 | Very low | 39.9 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | 76.6 | 141.9 | 161.1 | -64.6 | -163.8 | 64 | 0 | 0 | 121.6 | | |
| 487 | G | 42.4 | Very low | 40.1 | Very low | 81 Ų | 81 | 126 Ų | 126 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | -179.6 | 105.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 488 | K | 43 | Very low | 40.1 | Very low | 198 Ų | 198 | 125.4 Ų | 125.4 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -108.9 | 140.8 | -171.7 | -80.3 | 179.1 | 177 | 170.3 | 0 | 113 | | |
| 489 | G | 44 | Very low | 40.1 | Very low | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | 164.4 | 99.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 490 | R | 39.2 | Very low | 40 | Very low | 243 Ų | 243 | 128.7 Ų | 128.7 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | | 73.6 | 111.8 | 51.8 | -163.7 | -162.5 | -76.2 | -89.5 | 11.6 | 112.3 | | |
| 491 | G | 41.8 | Very low | 40.3 | Very low | 65 Ų | 65 | 130.2 Ų | 130.2 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 143.6 | 71.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 492 | I | 42.9 | Very low | 40.4 | Very low | 168 Ų | 168 | 127.4 Ų | 127.4 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | | | | 63.3 | 111.3 | 85 | -56.4 | 169.8 | 0 | 0 | 0 | 111.4 | | |
| 493 | G | 38.1 | Very low | 40.4 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | 154.9 | 83 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 494 | S | 36.1 | Very low | 40.9 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -96.9 | 164.6 | 168.1 | -117.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 495 | P | 45.2 | Very low | 41 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -87.9 | 158.7 | -156.4 | 35 | -38 | 0 | 0 | 0 | 114.9 | | |
| 496 | V | 38.4 | Very low | 41 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -175.4 | 167 | 146.5 | 131.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 497 | S | 40.4 | Very low | 40.7 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | | | trans | 72.2 | 87.8 | 165.1 | -72.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 498 | A | 33.4 | Very low | 40.7 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | | | | 10.9 | 146.1 | 118.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 499 | A | 36.1 | Very low | 40.2 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | | | trans | 102.3 | 142.8 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 500 | K | 39.4 | Very low | 39.8 | Very low | 170 Ų | 170 | 133.2 Ų | 133.2 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | | | trans | 84.4 | 115.4 | 147.1 | -83.1 | 178.8 | 175.4 | -177 | 0 | 121.8 | | |
| 501 | H | 46.7 | Very low | 40.2 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | 70.8 | 150.4 | 153.9 | -45.3 | -54.7 | 0 | 0 | 0 | 116.8 | | |
| 502 | A | 39.1 | Very low | 40 | Very low | 94 Ų | 94 | 132.5 Ų | 132.5 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | cis | -139.8 | 164.7 | 0.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 503 | L | 37.7 | Very low | 39.7 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -73.6 | 161 | 163.6 | -78.6 | 156.1 | 0 | 0 | 0 | 110.5 | | |
| 504 | P | 51.6 | Low | 40.2 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | | | | -132.3 | 150.5 | 112.1 | 36.3 | -29.1 | 0 | 0 | 0 | 114.4 | | |
| 505 | R | 36.6 | Very low | 40.6 | Very low | 218 Ų | 218 | 136.3 Ų | 136.3 | 82% | 0.823 | 80% | 0.798 | S | S | * | * | | | trans | -97.3 | 122.2 | 176.5 | -179.5 | -162.2 | -130.6 | 164.9 | 1.6 | 108.6 | T507 | R505-T507 PolarHBondContact O-N 3.18Š|
| 506 | P | 47.8 | Very low | 40.4 | Very low | 132 Ų | 132 | 134 Ų | 134 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -80.4 | 105.7 | 178.4 | 30.5 | -32.3 | 0 | 0 | 0 | 111.1 | | |
| 507 | T | 35.6 | Very low | 40.7 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | -124.4 | 116.5 | 163.8 | -57.4 | 0 | 0 | 0 | 0 | 107.9 | R505 | R505-T507 PolarHBondContact O-N 3.18Š|
| 508 | G | 41.9 | Very low | 40.9 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 178.8 | 99.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 509 | S | 33 | Very low | 41.6 | Very low | 94 Ų | 94 | 144 Ų | 144 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | trans | -92.6 | 177.5 | 170.2 | 54 | 0 | 0 | 0 | 0 | 111 | | |
| 510 | F | 35.5 | Very low | 41.8 | Very low | 198 Ų | 198 | 146.7 Ų | 146.7 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | 86.8 | 149.6 | 177.6 | -56.4 | -72.3 | 0 | 0 | 0 | 116.4 | | |
| 511 | P | 46.1 | Very low | 42 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | | | trans | -137.4 | -156.3 | -144.1 | 37.4 | -14 | 0 | 0 | 0 | 114.4 | | |
| 512 | Q | 39 | Very low | 41.9 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 97 | 152.3 | 166.6 | -54.4 | -173.4 | -9.4 | 0 | 0 | 117.3 | | |
| 513 | N | 35.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -94.7 | 167.3 | -169.6 | -52.6 | -70 | 0 | 0 | 0 | 111.8 | | |
| 514 | P | 48.9 | Very low | 42.6 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | | -137.3 | 133.9 | 98.3 | 29.8 | -13.2 | 0 | 0 | 0 | 113 | | |
| 515 | L | 44.2 | Very low | 42 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | | | | 72.2 | 119.6 | 87.6 | -173.2 | 72 | 0 | 0 | 0 | 114.8 | | |
| 516 | G | 41.4 | Very low | 42.9 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | trans | 159.5 | 86.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 517 | K | 45.1 | Very low | 42.7 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | 60.2 | 95 | 143.7 | -51.4 | -161.5 | 178.5 | -166.7 | 0 | 121.5 | | |
| 518 | E | 44.4 | Very low | 43.3 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | | 39.1 | 110.5 | 105.4 | -170 | -162.1 | 150.4 | 0 | 0 | 119.7 | | |
| 519 | K | 47.2 | Very low | 43.6 | Very low | 185 Ų | 185 | 155.2 Ų | 155.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | | -163.9 | 160.3 | 113.9 | -124.2 | 175.6 | -177.5 | 174.7 | 0 | 113.3 | | |
| 520 | D | 40.1 | Very low | 44.2 | Very low | 148 Ų | 148 | 153.7 Ų | 153.7 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -66.8 | 134.1 | -170.5 | -61.8 | -83.1 | 0 | 0 | 0 | 115.5 | | |
| 521 | T | 45.6 | Very low | 44.8 | Very low | 132 Ų | 132 | 152.7 Ų | 152.7 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -158.8 | 100.2 | 147.2 | -6.9 | 0 | 0 | 0 | 0 | 112.1 | R523 | T521-R523 PolarHBondContact O-N 3.15Š|
| 522 | L | 44 | Very low | 45.2 | Very low | 166 Ų | 166 | 156 Ų | 156 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | | | trans | 24.4 | 76.7 | 153.2 | -58.5 | 176.7 | 0 | 0 | 0 | 117.2 | P524 | L522-P524 WeakPolarHBondContact O-CD 3.41Š|
| 523 | R | 44.2 | Very low | 46.2 | Very low | 229 Ų | 229 | 149.9 Ų | 149.9 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 117.6 | 177.7 | -169.5 | -177.3 | -170.2 | -157.3 | 5.2 | 111.8 | T521 | T521-R523 PolarHBondContact O-N 3.15Š|
| 524 | P | 47.8 | Very low | 47.5 | Very low | 113 Ų | 113 | 147.9 Ų | 147.9 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.2 | 178.7 | -19 | 33.6 | 0 | 0 | 0 | 112.3 | L522 P526 | L522-P524 WeakPolarHBondContact O-CD 3.41Å; P524-P526 WeakPolarHBondContact O-CD 3.31Å |
| 525 | C | 37.9 | Very low | 48 | Very low | 115 Ų | 115 | 147.9 Ų | 147.9 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.7 | -179.7 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | R527 | C525-R527 PolarHBondContact O-N 3.36Š|
| 526 | P | 56.1 | Low | 49.2 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -71.7 | 92.3 | 172.9 | 29.7 | -33.5 | 0 | 0 | 0 | 109.8 | P524 S528 | P524-P526 WeakPolarHBondContact O-CD 3.31Å; P526-S528 VanDerWaalsContact C-N 3.34Å; P526-S528 PolarHBondContact O-N 3.04Å |
| 527 | R | 42.3 | Very low | 51.3 | Low | 234 Ų | 234 | 147 Ų | 147 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -63.6 | 94.1 | 168.1 | -82.7 | -179.1 | 167.4 | 166 | -3.8 | 109.2 | C525 R529 | C525-R527 PolarHBondContact O-N 3.36Å; R527-R529 PolarHBondContact O-N 2.96Å |
| 528 | S | 50 | Low | 53.3 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -64.3 | 79.6 | 164.5 | 55.9 | 0 | 0 | 0 | 0 | 109.3 | P526 G530 | P526-S528 VanDerWaalsContact C-N 3.34Å; P526-S528 PolarHBondContact O-N 3.04Å; S528-G530 PolarHBondContact O-N 3.46Å |
| 529 | R | 47.8 | Very low | 55.7 | Low | 237 Ų | 237 | 139.6 Ų | 139.6 | 89% | 0.894 | 76% | 0.763 | S | S | * | * | | | trans | -58.8 | 109.4 | 179.1 | -177.1 | -177.9 | -67.5 | -161.9 | 1.2 | 107.7 | R527 L531 | R527-R529 PolarHBondContact O-N 2.96Å; R529-L531 PolarHBondContact O-N 3.49Å |
| 530 | G | 45.3 | Very low | 57.7 | Low | 62 Ų | 62 | 132.8 Ų | 132.8 | 64% | 0.639 | 74% | 0.738 | S | S | * | * | | | trans | -51.1 | 138.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S528 L532 | S528-G530 PolarHBondContact O-N 3.46Å; G530-L532 PolarHBondContact O-N 3.24Å |
| 531 | L | 48 | Very low | 60.3 | Low | 177 Ų | 177 | 130.6 Ų | 130.6 | 93% | 0.927 | 73% | 0.726 | S | S | * | * | | | trans | -52.9 | 123.4 | 177.8 | -69.3 | 168.5 | 0 | 0 | 0 | 109.5 | R529 G533 | R529-L531 PolarHBondContact O-N 3.49Å; L531-G533 PolarHBondContact O-N 2.85Å |
| 532 | L | 55.2 | Low | 62.6 | Low | 178 Ų | 178 | 132.2 Ų | 132.2 | 93% | 0.932 | 72% | 0.717 | S | S | * | * | | | trans | -60.1 | 111.9 | 174.3 | -77.8 | 153.4 | 0 | 0 | 0 | 108.1 | G530 | G530-L532 PolarHBondContact O-N 3.24Š|
| 533 | G | 59.9 | Low | 65.1 | Low | 57 Ų | 57 | 128.5 Ų | 128.5 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | | | trans | -57.9 | 156.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L531 S535 | L531-G533 PolarHBondContact O-N 2.85Å; G533-S535 PolarHBondContact O-N 2.91Å |
| 534 | P | 62.7 | Low | 67.5 | Low | 113 Ų | 113 | 122.7 Ų | 122.7 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | | | trans | -49.8 | 117.7 | -173.4 | -28.4 | 35.2 | 0 | 0 | 0 | 111.8 | H536 | P534-H536 PolarHBondContact O-N 2.73Š|
| 535 | S | 59.4 | Low | 69.9 | Low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 67% | 0.666 | S | S | * | * | | | trans | -66.4 | 94 | -176.3 | 53.9 | 0 | 0 | 0 | 0 | 109.8 | G533 S537 | G533-S535 PolarHBondContact O-N 2.91Å; S535-S537 PolarHBondContact O-N 3.33Å |
| 536 | H | 69.2 | Low | 72.7 | Confident | 161 Ų | 161 | 122.9 Ų | 122.9 | 75% | 0.745 | 65% | 0.652 | S | S | * | * | | | trans | -53.4 | 114.4 | -175.8 | -61.5 | -59.9 | 0 | 0 | 0 | 110.7 | P534 | P534-H536 PolarHBondContact O-N 2.73Š|
| 537 | S | 84.2 | Confident | 74.6 | Confident | 64 Ų | 64 | 123.2 Ų | 123.2 | 45% | 0.448 | 64% | 0.644 | S | S | . | * | | | trans | -60.2 | 147.5 | 173 | 72.1 | 0 | 0 | 0 | 0 | 109.5 | S535 E539 S540 L541 | S535-S537 PolarHBondContact O-N 3.33Å; S537-E539 PolarHBondContact O-N 3.37Å; S537-S540 PolarHBondContact N-OG 3.02Å; S537-S540 VanDerWaalsContact N-OG 3.09Å; S537-S540 PolarHBondContact O-N 3.45Å; S537-S540 PolarHBondContact O-OG 3.46Å; S537-S540 WeakPolarHBondContact OG-CB 3.22Å; S537-S540 PolarHBondContact OG-N 2.8Å; S537-S540 PolarHBondContact OG-OG 2.9Å; S537-L541 PolarHBondContact O-N 2.8Å; S537-L541 VanDerWaalsContact O-N 3.14Å |
| 538 | S | 89.1 | Confident | 77.3 | Confident | 86 Ų | 86 | 117.1 Ų | 117.1 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -60.5 | -14.2 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | R542 | S538-R542 VanDerWaalsContact O-CD 3.3Å; S538-R542 WeakPolarHBondContact O-CD 3.34Å; S538-R542 VanDerWaalsContact O-CG 3.23Å; S538-R542 WeakPolarHBondContact O-CG 3.49Å; S538-R542 PolarHBondContact O-NE 3.16Å; S538-R542 VanDerWaalsContact O-NE 3.09Å |
| 539 | E | 92.9 | Very high | 79.6 | Confident | 125 Ų | 125 | 113.1 Ų | 113.1 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -81.3 | -50.8 | 170.1 | -177.6 | 150.7 | -126.9 | 0 | 0 | 111.8 | S537 L541 R542 E543 | S537-E539 PolarHBondContact O-N 3.37Å; E539-L541 PolarHBondContact O-N 3.17Å; E539-L541 VanDerWaalsContact O-N 3.16Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 WeakPolarHBondContact O-CA 3.38Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3.4Å; E539-E543 WeakPolarHBondContact O-CG 3.2Å; E539-E543 PolarHBondContact O-N 3.26Å |
| 540 | S | 90.7 | Very high | 81.9 | Confident | 42 Ų | 42 | 107 Ų | 107 | 29% | 0.294 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -55.8 | -35.1 | 177.1 | 69.6 | 0 | 0 | 0 | 0 | 112.9 | S537 E543 F544 | S537-S540 PolarHBondContact N-OG 3.02Å; S537-S540 VanDerWaalsContact N-OG 3.09Å; S537-S540 PolarHBondContact O-N 3.45Å; S537-S540 PolarHBondContact O-OG 3.46Å; S537-S540 WeakPolarHBondContact OG-CB 3.22Å; S537-S540 PolarHBondContact OG-N 2.8Å; S537-S540 PolarHBondContact OG-OG 2.9Å; S540-E543 PolarHBondContact O-N 3.5Å; S540-F544 WeakPolarHBondContact O-CB 3.44Å; S540-F544 PolarHBondContact O-N 2.98Å |
| 541 | L | 93.7 | Very high | 84.4 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | 173.1 | -179.4 | 59.8 | 0 | 0 | 0 | 112.5 | S537 E539 E543 M545 | S537-L541 PolarHBondContact O-N 2.8Å; S537-L541 VanDerWaalsContact O-N 3.14Å; E539-L541 PolarHBondContact O-N 3.17Å; E539-L541 VanDerWaalsContact O-N 3.16Å; L541-E543 VanDerWaalsContact C-N 3.32Å; L541-M545 WeakPolarHBondContact O-CB 3.41Å; L541-M545 VanDerWaalsContact O-CG 3.25Å; L541-M545 WeakPolarHBondContact O-CG 3.33Å; L541-M545 PolarHBondContact O-N 3.27Å |
| 542 | R | 95.2 | Very high | 86.8 | Confident | 165 Ų | 165 | 104.8 Ų | 104.8 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.1 | -38.9 | 173.9 | -68.4 | 168.2 | -157 | -123 | 6.8 | 110.3 | S538 E539 M545 R546 | S538-R542 VanDerWaalsContact O-CD 3.3Å; S538-R542 WeakPolarHBondContact O-CD 3.34Å; S538-R542 VanDerWaalsContact O-CG 3.23Å; S538-R542 WeakPolarHBondContact O-CG 3.49Å; S538-R542 PolarHBondContact O-NE 3.16Å; S538-R542 VanDerWaalsContact O-NE 3.09Å; E539-R542 CarbonylContact O-C 3.56Å; E539-R542 WeakPolarHBondContact O-CA 3.38Å; E539-R542 WeakPolarHBondContact O-CB 3.41Å; E539-R542 PolarHBondContact O-N 3.4Å; R542-M545 PolarHBondContact O-N 3.38Å; R542-R546 WeakPolarHBondContact O-CG 3.46Å; R542-R546 PolarHBondContact O-N 2.91Å |
| 543 | E | 95 | Very high | 88.8 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 41% | 0.411 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.2 | -48.7 | 176 | -66.1 | -153.1 | 134.1 | 0 | 0 | 113.2 | E539 S540 L541 M545 R546 Q547 | E539-E543 WeakPolarHBondContact O-CG 3.2Å; E539-E543 PolarHBondContact O-N 3.26Å; S540-E543 PolarHBondContact O-N 3.5Å; L541-E543 VanDerWaalsContact C-N 3.32Å; E543-M545 PolarHBondContact O-N 2.9Å; E543-R546 CarbonylContact O-C 3.59Å; E543-R546 WeakPolarHBondContact O-CA 3.45Å; E543-R546 WeakPolarHBondContact O-CB 3.45Å; E543-R546 PolarHBondContact O-N 3.37Å; E543-R546 IonicContact OE1-NH2 3.88Å; E543-R546 PolarHBondContact OE1-NH2 3.47Å; E543-R546 VanDerWaalsContact OE1-NH2 3.07Å; E543-Q547 WeakPolarHBondContact O-CB 3.35Å; E543-Q547 WeakPolarHBondContact O-CG 3.36Å; E543-Q547 PolarHBondContact O-N 3.29Å |
| 544 | F | 95.9 | Very high | 90.6 | Very high | 108 Ų | 108 | 110.6 Ų | 110.6 | 47% | 0.474 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -55.3 | -40.9 | 173.2 | 177.8 | -106.7 | 0 | 0 | 0 | 111.5 | S540 Q547 K548 | S540-F544 WeakPolarHBondContact O-CB 3.44Å; S540-F544 PolarHBondContact O-N 2.98Å; F544-Q547 PolarHBondContact O-N 2.84Å; F544-K548 HydrophobicContact CE1-CD 4.18Å; F544-K548 HydrophobicContact CZ-CD 4.25Å; F544-K548 WeakPolarHBondContact O-CB 3.32Å; F544-K548 PolarHBondContact O-N 3.47Å |
| 545 | M | 96.7 | Very high | 92.3 | Very high | 104 Ų | 104 | 110.1 Ų | 110.1 | 51% | 0.512 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -37 | 175.6 | -70.2 | -68 | -81.3 | 0 | 0 | 113.1 | L541 R542 E543 A549 | L541-M545 WeakPolarHBondContact O-CB 3.41Å; L541-M545 VanDerWaalsContact O-CG 3.25Å; L541-M545 WeakPolarHBondContact O-CG 3.33Å; L541-M545 PolarHBondContact O-N 3.27Å; R542-M545 PolarHBondContact O-N 3.38Å; E543-M545 PolarHBondContact O-N 2.9Å; M545-A549 WeakPolarHBondContact O-CB 3.16Å; M545-A549 PolarHBondContact O-N 2.9Å |
| 546 | R | 96.9 | Very high | 94.1 | Very high | 128 Ų | 128 | 106.1 Ų | 106.1 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -50.3 | 170.6 | -73.8 | -171.3 | -71.6 | -120.3 | 19.5 | 110.7 | R542 E543 A549 Q550 | R542-R546 WeakPolarHBondContact O-CG 3.46Å; R542-R546 PolarHBondContact O-N 2.91Å; E543-R546 CarbonylContact O-C 3.59Å; E543-R546 WeakPolarHBondContact O-CA 3.45Å; E543-R546 WeakPolarHBondContact O-CB 3.45Å; E543-R546 PolarHBondContact O-N 3.37Å; E543-R546 IonicContact OE1-NH2 3.88Å; E543-R546 PolarHBondContact OE1-NH2 3.47Å; E543-R546 VanDerWaalsContact OE1-NH2 3.07Å; R546-A549 PolarHBondContact O-N 3.22Å; R546-Q550 WeakPolarHBondContact O-CG 3.4Å; R546-Q550 PolarHBondContact O-N 2.93Å |
| 547 | Q | 97.4 | Very high | 95.4 | Very high | 120 Ų | 120 | 103.9 Ų | 103.9 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | 178.2 | -70 | 174.6 | 4.4 | 0 | 0 | 111.6 | E543 F544 A549 Q550 A551 | E543-Q547 WeakPolarHBondContact O-CB 3.35Å; E543-Q547 WeakPolarHBondContact O-CG 3.36Å; E543-Q547 PolarHBondContact O-N 3.29Å; F544-Q547 PolarHBondContact O-N 2.84Å; Q547-A549 VanDerWaalsContact C-N 3.28Å; Q547-A549 PolarHBondContact O-N 2.95Å; Q547-Q550 PolarHBondContact O-N 3.26Å; Q547-Q550 VanDerWaalsContact O-N 3.11Å; Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 2.89Å |
| 548 | K | 97.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 107 Ų | 107 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -31.3 | 177.4 | -165.7 | 168.8 | -173.1 | 173 | 0 | 112.4 | F544 R552 | F544-K548 HydrophobicContact CE1-CD 4.18Å; F544-K548 HydrophobicContact CZ-CD 4.25Å; F544-K548 WeakPolarHBondContact O-CB 3.32Å; F544-K548 PolarHBondContact O-N 3.47Å; K548-R552 WeakPolarHBondContact O-CG 3.48Å; K548-R552 PolarHBondContact O-N 3.42Å; K548-R552 PolarHBondContact O-NE 3.28Å |
| 549 | A | 97.9 | Very high | 96.4 | Very high | 34 Ų | 34 | 107.7 Ų | 107.7 | 28% | 0.281 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -40.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | M545 R546 Q547 R553 | M545-A549 WeakPolarHBondContact O-CB 3.16Å; M545-A549 PolarHBondContact O-N 2.9Å; R546-A549 PolarHBondContact O-N 3.22Å; Q547-A549 VanDerWaalsContact C-N 3.28Å; Q547-A549 PolarHBondContact O-N 2.95Å; A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 3.5Å; A549-R553 VanDerWaalsContact O-N 3.16Å |
| 550 | Q | 97.6 | Very high | 96.7 | Very high | 107 Ų | 107 | 107 Ų | 107 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -41 | 174.6 | -71.7 | 174.1 | -5.6 | 0 | 0 | 112.3 | R546 Q547 R553 R554 | R546-Q550 WeakPolarHBondContact O-CG 3.4Å; R546-Q550 PolarHBondContact O-N 2.93Å; Q547-Q550 PolarHBondContact O-N 3.26Å; Q547-Q550 VanDerWaalsContact O-N 3.11Å; Q550-R553 WeakPolarHBondContact O-CB 3.4Å; Q550-R553 PolarHBondContact O-N 3.2Å; Q550-R553 VanDerWaalsContact O-N 3.1Å; Q550-R554 PolarHBondContact O-N 3.33Å |
| 551 | A | 97.4 | Very high | 97 | Very high | 55 Ų | 55 | 107.3 Ų | 107.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q547 R553 R554 Q555 | Q547-A551 WeakPolarHBondContact O-CB 3.3Å; Q547-A551 PolarHBondContact O-N 2.89Å; A551-R553 VanDerWaalsContact C-N 3.27Å; A551-R553 PolarHBondContact O-N 3.27Å; A551-R554 PolarHBondContact O-N 3.07Å; A551-R554 VanDerWaalsContact O-N 3.12Å; A551-Q555 PolarHBondContact O-N 3.15Å |
| 552 | R | 98.2 | Very high | 97.2 | Very high | 139 Ų | 139 | 105.4 Ų | 105.4 | 53% | 0.525 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -34.2 | 173.5 | -71.4 | -177.9 | -61 | -136.6 | -0.5 | 113 | K548 A556 | K548-R552 WeakPolarHBondContact O-CG 3.48Å; K548-R552 PolarHBondContact O-N 3.42Å; K548-R552 PolarHBondContact O-NE 3.28Å; R552-A556 WeakPolarHBondContact O-CB 3.22Å; R552-A556 PolarHBondContact O-N 3.03Å |
| 553 | R | 97.6 | Very high | 97.3 | Very high | 185 Ų | 185 | 100.4 Ų | 100.4 | 70% | 0.698 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.8 | -38.5 | 174.6 | -72.7 | 176.1 | 179.9 | -173.3 | 0.5 | 112.2 | A549 Q550 A551 L557 | A549-R553 WeakPolarHBondContact O-CG 3.44Å; A549-R553 PolarHBondContact O-N 3.5Å; A549-R553 VanDerWaalsContact O-N 3.16Å; Q550-R553 WeakPolarHBondContact O-CB 3.4Å; Q550-R553 PolarHBondContact O-N 3.2Å; Q550-R553 VanDerWaalsContact O-N 3.1Å; A551-R553 VanDerWaalsContact C-N 3.27Å; A551-R553 PolarHBondContact O-N 3.27Å; R553-L557 WeakPolarHBondContact O-CG 3.42Å; R553-L557 PolarHBondContact O-N 2.87Å |
| 554 | R | 97.7 | Very high | 97.4 | Very high | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.3 | -52.6 | 174.7 | -70 | -179.2 | 178.6 | 172.2 | -0.4 | 111.2 | Q550 A551 A556 L557 E558 | Q550-R554 PolarHBondContact O-N 3.33Å; A551-R554 PolarHBondContact O-N 3.07Å; A551-R554 VanDerWaalsContact O-N 3.12Å; R554-A556 VanDerWaalsContact C-N 3.32Å; R554-A556 PolarHBondContact O-N 3.18Å; R554-L557 WeakPolarHBondContact O-CA 3.4Å; R554-L557 WeakPolarHBondContact O-CB 3.49Å; R554-L557 PolarHBondContact O-N 3.35Å; R554-E558 PolarHBondContact O-N 3.25Å |
| 555 | Q | 97.8 | Very high | 97.5 | Very high | 103 Ų | 103 | 105.1 Ų | 105.1 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -52.7 | -47.5 | 174.6 | -177.6 | -175.4 | -14.3 | 0 | 0 | 111.9 | A551 L557 E558 E559 | A551-Q555 PolarHBondContact O-N 3.15Å; Q555-L557 PolarHBondContact O-N 3.38Å; Q555-L557 VanDerWaalsContact O-N 3.15Å; Q555-E558 PolarHBondContact O-N 3Å; Q555-E559 HydrophobicContact CG-CG 4.33Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.42Å; Q555-E559 PolarHBondContact NE2-OE1 3.1Å; Q555-E559 WeakPolarHBondContact O-CB 3.35Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 2.86Å |
| 556 | A | 97.6 | Very high | 97.5 | Very high | 35 Ų | 35 | 104.7 Ų | 104.7 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | R552 R554 K560 | R552-A556 WeakPolarHBondContact O-CB 3.22Å; R552-A556 PolarHBondContact O-N 3.03Å; R554-A556 VanDerWaalsContact C-N 3.32Å; R554-A556 PolarHBondContact O-N 3.18Å; A556-K560 WeakPolarHBondContact O-CD 3.1Å; A556-K560 WeakPolarHBondContact O-CE 3.36Å; A556-K560 VanDerWaalsContact O-CG 3.26Å; A556-K560 WeakPolarHBondContact O-CG 3.4Å |
| 557 | L | 97.3 | Very high | 97.5 | Very high | 115 Ų | 115 | 107.7 Ų | 107.7 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -96.2 | -40.7 | 167.7 | -71.3 | 168.7 | 0 | 0 | 0 | 110.8 | R553 R554 Q555 K560 A561 | R553-L557 WeakPolarHBondContact O-CG 3.42Å; R553-L557 PolarHBondContact O-N 2.87Å; R554-L557 WeakPolarHBondContact O-CA 3.4Å; R554-L557 WeakPolarHBondContact O-CB 3.49Å; R554-L557 PolarHBondContact O-N 3.35Å; Q555-L557 PolarHBondContact O-N 3.38Å; Q555-L557 VanDerWaalsContact O-N 3.15Å; L557-K560 PolarHBondContact O-N 3.46Å; L557-A561 PolarHBondContact O-N 3.29Å |
| 558 | E | 97.2 | Very high | 97.5 | Very high | 128 Ų | 128 | 106.3 Ų | 106.3 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 173.9 | -69.5 | 158.2 | -147.9 | 0 | 0 | 111.7 | R554 Q555 K560 A561 S562 | R554-E558 PolarHBondContact O-N 3.25Å; Q555-E558 PolarHBondContact O-N 3Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.46Å; E558-A561 PolarHBondContact O-N 2.87Å; E558-S562 PolarHBondContact O-N 3.36Å |
| 559 | E | 96.7 | Very high | 97.5 | Very high | 102 Ų | 102 | 106.2 Ų | 106.2 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 172.9 | -74 | 173.3 | -177.7 | 0 | 0 | 112.4 | Q555 S562 A563 | Q555-E559 HydrophobicContact CG-CG 4.33Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.42Å; Q555-E559 PolarHBondContact NE2-OE1 3.1Å; Q555-E559 WeakPolarHBondContact O-CB 3.35Å; Q555-E559 WeakPolarHBondContact O-CG 3.44Å; Q555-E559 PolarHBondContact O-N 2.86Å; E559-S562 PolarHBondContact O-OG 3.27Å; E559-A563 VanDerWaalsContact O-CB 3.28Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.37Å |
| 560 | K | 98.2 | Very high | 97.5 | Very high | 110 Ų | 110 | 112.6 Ų | 112.6 | 48% | 0.478 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 174.9 | -73.4 | 171.3 | -169.1 | 158.9 | 0 | 111.3 | A556 L557 E558 A563 L564 | A556-K560 WeakPolarHBondContact O-CD 3.1Å; A556-K560 WeakPolarHBondContact O-CE 3.36Å; A556-K560 VanDerWaalsContact O-CG 3.26Å; A556-K560 WeakPolarHBondContact O-CG 3.4Å; L557-K560 PolarHBondContact O-N 3.46Å; E558-K560 VanDerWaalsContact C-N 3.32Å; E558-K560 PolarHBondContact O-N 3.46Å; K560-A563 PolarHBondContact O-N 2.8Å; K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.46Å; K560-L564 PolarHBondContact O-N 2.75Å |
| 561 | A | 97.3 | Very high | 97.5 | Very high | 49 Ų | 49 | 109.9 Ų | 109.9 | 41% | 0.405 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L557 E558 L564 R565 | L557-A561 PolarHBondContact O-N 3.29Å; E558-A561 PolarHBondContact O-N 2.87Å; A561-L564 PolarHBondContact O-N 3.32Å; A561-R565 WeakPolarHBondContact O-CG 3.21Å; A561-R565 PolarHBondContact O-N 3.03Å; A561-R565 VanDerWaalsContact O-N 3.12Å |
| 562 | S | 97 | Very high | 97.5 | Very high | 62 Ų | 62 | 114.3 Ų | 114.3 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.3 | 72.9 | 0 | 0 | 0 | 0 | 111.7 | E558 E559 L564 R565 T566 | E558-S562 PolarHBondContact O-N 3.36Å; E559-S562 PolarHBondContact O-OG 3.27Å; S562-L564 VanDerWaalsContact C-N 3.32Å; S562-L564 PolarHBondContact O-N 2.93Å; S562-R565 PolarHBondContact O-N 3.34Å; S562-R565 VanDerWaalsContact O-N 3.16Å; S562-T566 PolarHBondContact O-N 3.29Å; S562-T566 PolarHBondContact O-OG1 3.27Å |
| 563 | A | 97.4 | Very high | 97.5 | Very high | 59 Ų | 59 | 115.8 Ų | 115.8 | 49% | 0.488 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | E559 K560 R567 | E559-A563 VanDerWaalsContact O-CB 3.28Å; E559-A563 WeakPolarHBondContact O-CB 3.49Å; E559-A563 PolarHBondContact O-N 3.37Å; K560-A563 PolarHBondContact O-N 2.8Å; A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 PolarHBondContact O-N 3.41Å |
| 564 | L | 97.7 | Very high | 97.5 | Very high | 116 Ų | 116 | 111 Ų | 111 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.7 | -46.4 | 173 | -73.7 | 171.6 | 0 | 0 | 0 | 111.7 | K560 A561 S562 T566 R567 E568 | K560-L564 VanDerWaalsContact O-CG 3.31Å; K560-L564 WeakPolarHBondContact O-CG 3.46Å; K560-L564 PolarHBondContact O-N 2.75Å; A561-L564 PolarHBondContact O-N 3.32Å; S562-L564 VanDerWaalsContact C-N 3.32Å; S562-L564 PolarHBondContact O-N 2.93Å; L564-T566 PolarHBondContact O-N 3.31Å; L564-R567 PolarHBondContact O-N 3.41Å; L564-E568 PolarHBondContact O-N 2.88Å |
| 565 | R | 97.9 | Very high | 97.4 | Very high | 180 Ų | 180 | 109 Ų | 109 | 68% | 0.679 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.6 | -43.6 | 175 | -71.8 | 176 | 177.5 | 178.1 | -0.2 | 112.1 | A561 S562 E568 L569 | A561-R565 WeakPolarHBondContact O-CG 3.21Å; A561-R565 PolarHBondContact O-N 3.03Å; A561-R565 VanDerWaalsContact O-N 3.12Å; S562-R565 PolarHBondContact O-N 3.34Å; S562-R565 VanDerWaalsContact O-N 3.16Å; R565-E568 PolarHBondContact O-N 3.18Å; R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.47Å |
| 566 | T | 96.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 107 Ų | 107 | 58% | 0.577 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.5 | -40.7 | 176.5 | -59.9 | 0 | 0 | 0 | 0 | 112 | S562 L564 R570 | S562-T566 PolarHBondContact O-N 3.29Å; S562-T566 PolarHBondContact O-OG1 3.27Å; L564-T566 PolarHBondContact O-N 3.31Å; T566-R570 PolarHBondContact O-N 3.3Å |
| 567 | R | 97.9 | Very high | 97.2 | Very high | 192 Ų | 192 | 108.6 Ų | 108.6 | 73% | 0.725 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 173.5 | -178.8 | 178.7 | 175.4 | -173 | -2.9 | 111.5 | A563 L564 R570 S571 | A563-R567 WeakPolarHBondContact O-CB 3.49Å; A563-R567 PolarHBondContact O-N 3.41Å; L564-R567 PolarHBondContact O-N 3.41Å; R567-R570 WeakPolarHBondContact O-CB 3.37Å; R567-R570 PolarHBondContact O-N 2.83Å; R567-S571 PolarHBondContact O-N 3.45Å; R567-S571 PolarHBondContact O-OG 3.42Å |
| 568 | E | 97.3 | Very high | 97.1 | Very high | 91 Ų | 91 | 109.1 Ų | 109.1 | 43% | 0.425 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 179.7 | -161.4 | -162.8 | 145.9 | 0 | 0 | 111.8 | L564 R565 R570 S571 R572 | L564-E568 PolarHBondContact O-N 2.88Å; R565-E568 PolarHBondContact O-N 3.18Å; E568-R570 VanDerWaalsContact C-N 3.28Å; E568-R570 PolarHBondContact O-N 2.97Å; E568-S571 VanDerWaalsContact CA-OG 3.32Å; E568-S571 WeakPolarHBondContact CA-OG 3.32Å; E568-S571 PolarHBondContact O-N 3Å; E568-S571 VanDerWaalsContact O-N 3.12Å; E568-S571 PolarHBondContact O-OG 2.97Å; E568-R572 WeakPolarHBondContact O-CG 3.49Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 2.87Å; E568-R572 IonicContact OE1-NE 3.73Å; E568-R572 PolarHBondContact OE1-NE 2.99Å; E568-R572 IonicContact OE1-NH2 3.94Å; E568-R572 PolarHBondContact OE1-NH2 3.35Å |
| 569 | L | 97.7 | Very high | 96.9 | Very high | 103 Ų | 103 | 107.9 Ų | 107.9 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | 173.4 | -72.6 | 169.8 | 0 | 0 | 0 | 111.9 | R565 R572 R573 | R565-L569 WeakPolarHBondContact O-CG 3.32Å; R565-L569 PolarHBondContact O-N 3.47Å; L569-R572 PolarHBondContact O-N 3.48Å; L569-R573 WeakPolarHBondContact O-CB 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.32Å; L569-R573 PolarHBondContact O-N 2.88Å |
| 570 | R | 98 | Very high | 96.7 | Very high | 167 Ų | 167 | 107.8 Ų | 107.8 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.5 | -40.7 | 174.2 | -174.6 | 172.4 | 177.2 | 154.1 | -0.1 | 112.2 | T566 R567 E568 L574 | T566-R570 PolarHBondContact O-N 3.3Å; R567-R570 WeakPolarHBondContact O-CB 3.37Å; R567-R570 PolarHBondContact O-N 2.83Å; E568-R570 VanDerWaalsContact C-N 3.28Å; E568-R570 PolarHBondContact O-N 2.97Å; R570-L574 WeakPolarHBondContact O-CB 3.44Å; R570-L574 PolarHBondContact O-N 2.97Å |
| 571 | S | 96.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 107.7 Ų | 107.7 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -39.5 | 174.1 | 39.9 | 0 | 0 | 0 | 0 | 113 | R567 E568 L574 Q575 | R567-S571 PolarHBondContact O-N 3.45Å; R567-S571 PolarHBondContact O-OG 3.42Å; E568-S571 VanDerWaalsContact CA-OG 3.32Å; E568-S571 WeakPolarHBondContact CA-OG 3.32Å; E568-S571 PolarHBondContact O-N 3Å; E568-S571 VanDerWaalsContact O-N 3.12Å; E568-S571 PolarHBondContact O-OG 2.97Å; S571-L574 PolarHBondContact O-N 3.43Å; S571-Q575 WeakPolarHBondContact O-CB 3.37Å; S571-Q575 WeakPolarHBondContact O-CG 3.37Å; S571-Q575 PolarHBondContact O-N 2.99Å |
| 572 | R | 97.4 | Very high | 95.9 | Very high | 148 Ų | 148 | 112.2 Ų | 112.2 | 56% | 0.558 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -46 | 174.6 | -69.3 | 177 | -177.4 | -138.2 | 6.6 | 111.1 | E568 L569 L574 Q575 E576 | E568-R572 WeakPolarHBondContact O-CG 3.49Å; E568-R572 PolarHBondContact O-N 3.36Å; E568-R572 IonicContact OE1-CZ 2.87Å; E568-R572 IonicContact OE1-NE 3.73Å; E568-R572 PolarHBondContact OE1-NE 2.99Å; E568-R572 IonicContact OE1-NH2 3.94Å; E568-R572 PolarHBondContact OE1-NH2 3.35Å; L569-R572 PolarHBondContact O-N 3.48Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.25Å; R572-Q575 PolarHBondContact O-N 2.81Å; R572-E576 WeakPolarHBondContact O-CB 3.28Å; R572-E576 PolarHBondContact O-N 2.73Å |
| 573 | R | 97.9 | Very high | 95.5 | Very high | 171 Ų | 171 | 113.7 Ų | 113.7 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -39.1 | 173.7 | -73.8 | 177.7 | -179.8 | -169.6 | -0 | 112.9 | L569 E576 V577 | L569-R573 WeakPolarHBondContact O-CB 3.49Å; L569-R573 WeakPolarHBondContact O-CG 3.32Å; L569-R573 PolarHBondContact O-N 2.88Å; R573-E576 PolarHBondContact O-N 3.01Å; R573-V577 WeakPolarHBondContact O-CG2 3.41Å; R573-V577 PolarHBondContact O-N 3.33Å |
| 574 | L | 97.7 | Very high | 94.8 | Very high | 85 Ų | 85 | 113.8 Ų | 113.8 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71 | -39.4 | 178.3 | -177.8 | 61.2 | 0 | 0 | 0 | 112.3 | R570 S571 R572 E576 V577 Y578 | R570-L574 WeakPolarHBondContact O-CB 3.44Å; R570-L574 PolarHBondContact O-N 2.97Å; S571-L574 PolarHBondContact O-N 3.43Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.25Å; L574-E576 VanDerWaalsContact C-N 3.29Å; L574-E576 PolarHBondContact O-N 2.87Å; L574-V577 PolarHBondContact O-N 3.38Å; L574-Y578 HydrophobicContact CD1-CD2 4.16Å; L574-Y578 HydrophobicContact CD1-CE2 3.67Å; L574-Y578 HydrophobicContact CD2-CE2 4.05Å; L574-Y578 HydrophobicContact CG-CD2 3.95Å; L574-Y578 HydrophobicContact CG-CE2 3.57Å; L574-Y578 WeakPolarHBondContact O-CD2 3.49Å; L574-Y578 PolarHBondContact O-N 2.96Å |
| 575 | Q | 96.6 | Very high | 94.1 | Very high | 128 Ų | 128 | 113.9 Ų | 113.9 | 60% | 0.598 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.4 | -39.1 | 171.9 | -74.2 | 168.9 | -14.4 | 0 | 0 | 111.6 | S571 R572 Y578 R579 | S571-Q575 WeakPolarHBondContact O-CB 3.37Å; S571-Q575 WeakPolarHBondContact O-CG 3.37Å; S571-Q575 PolarHBondContact O-N 2.99Å; R572-Q575 PolarHBondContact O-N 2.81Å; Q575-Y578 PolarHBondContact O-N 3.5Å; Q575-R579 WeakPolarHBondContact O-CB 3.45Å; Q575-R579 PolarHBondContact O-N 3.05Å |
| 576 | E | 95.5 | Very high | 92.9 | Very high | 63 Ų | 63 | 112 Ų | 112 | 29% | 0.294 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 175.2 | -178.7 | 58.5 | -163.9 | 0 | 0 | 112.1 | R572 R573 L574 Y578 R579 Q580 | R572-E576 WeakPolarHBondContact O-CB 3.28Å; R572-E576 PolarHBondContact O-N 2.73Å; R573-E576 PolarHBondContact O-N 3.01Å; L574-E576 VanDerWaalsContact C-N 3.29Å; L574-E576 PolarHBondContact O-N 2.87Å; E576-Y578 PolarHBondContact O-N 3.15Å; E576-R579 VanDerWaalsContact CD-NH2 3.26Å; E576-R579 WeakPolarHBondContact O-CB 3.43Å; E576-R579 PolarHBondContact O-N 3.37Å; E576-R579 VanDerWaalsContact O-N 3.1Å; E576-R579 IonicContact OE1-CZ 2.81Å; E576-R579 IonicContact OE1-NE 2.73Å; E576-R579 IonicContact OE1-NH2 3.59Å; E576-R579 PolarHBondContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.66Å; E576-R579 IonicContact OE2-NE 3.98Å; E576-R579 PolarHBondContact OE2-NE 3.24Å; E576-R579 IonicContact OE2-NH2 2.92Å; E576-R579 PolarHBondContact OE2-NH2 3.46Å; E576-Q580 WeakPolarHBondContact O-CG 3.31Å; E576-Q580 PolarHBondContact O-N 2.89Å; E576-Q580 PolarHBondContact OE1-NE2 3.26Å |
| 577 | V | 96.3 | Very high | 91.3 | Very high | 67 Ų | 67 | 110.3 Ų | 110.3 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 172.6 | 170 | 0 | 0 | 0 | 0 | 111.3 | R573 L574 R579 Q580 Q581 | R573-V577 WeakPolarHBondContact O-CG2 3.41Å; R573-V577 PolarHBondContact O-N 3.33Å; L574-V577 PolarHBondContact O-N 3.38Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 2.79Å; V577-Q580 PolarHBondContact O-N 2.89Å; V577-Q581 HydrophobicContact CG1-CG 4.5Å; V577-Q581 WeakPolarHBondContact O-CB 3.33Å; V577-Q581 WeakPolarHBondContact O-CG 3.3Å; V577-Q581 PolarHBondContact O-N 3.24Å |
| 578 | Y | 93.9 | Very high | 89.1 | Confident | 127 Ų | 127 | 110 Ų | 110 | 50% | 0.498 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -26 | 175.2 | -72.9 | -50.3 | 0 | 0 | 0 | 113.4 | L574 Q575 E576 Q581 R582 | L574-Y578 HydrophobicContact CD1-CD2 4.16Å; L574-Y578 HydrophobicContact CD1-CE2 3.67Å; L574-Y578 HydrophobicContact CD2-CE2 4.05Å; L574-Y578 HydrophobicContact CG-CD2 3.95Å; L574-Y578 HydrophobicContact CG-CE2 3.57Å; L574-Y578 WeakPolarHBondContact O-CD2 3.49Å; L574-Y578 PolarHBondContact O-N 2.96Å; Q575-Y578 PolarHBondContact O-N 3.5Å; E576-Y578 PolarHBondContact O-N 3.15Å; Y578-Q581 VanDerWaalsContact CD1-OE1 3.31Å; Y578-R582 WeakPolarHBondContact O-CG 3.5Å; Y578-R582 PolarHBondContact O-N 3.04Å; Y578-R582 PolarHBondContact O-NH1 2.77Å |
| 579 | R | 92.7 | Very high | 86.5 | Confident | 101 Ų | 101 | 110.2 Ų | 110.2 | 38% | 0.381 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.2 | -52.1 | 172.3 | -179.8 | 174.2 | 77.1 | 96.2 | -4.6 | 110.1 | Q575 E576 V577 Q581 R582 E583 | Q575-R579 WeakPolarHBondContact O-CB 3.45Å; Q575-R579 PolarHBondContact O-N 3.05Å; E576-R579 VanDerWaalsContact CD-NH2 3.26Å; E576-R579 WeakPolarHBondContact O-CB 3.43Å; E576-R579 PolarHBondContact O-N 3.37Å; E576-R579 VanDerWaalsContact O-N 3.1Å; E576-R579 IonicContact OE1-CZ 2.81Å; E576-R579 IonicContact OE1-NE 2.73Å; E576-R579 IonicContact OE1-NH2 3.59Å; E576-R579 PolarHBondContact OE1-NH2 2.76Å; E576-R579 IonicContact OE2-CZ 2.66Å; E576-R579 IonicContact OE2-NE 3.98Å; E576-R579 PolarHBondContact OE2-NE 3.24Å; E576-R579 IonicContact OE2-NH2 2.92Å; E576-R579 PolarHBondContact OE2-NH2 3.46Å; V577-R579 VanDerWaalsContact C-N 3.26Å; V577-R579 PolarHBondContact O-N 2.79Å; R579-Q581 VanDerWaalsContact C-N 3.26Å; R579-Q581 PolarHBondContact O-N 2.96Å; R579-R582 PolarHBondContact O-N 3.19Å; R579-E583 WeakPolarHBondContact CD-OE1 3.42Å; R579-E583 HydrophobicContact CG-CG 4.39Å; R579-E583 WeakPolarHBondContact CG-OE1 3.34Å; R579-E583 IonicContact CZ-OE1 2.69Å; R579-E583 IonicContact CZ-OE2 3.82Å; R579-E583 IonicContact NE-OE1 2.61Å; R579-E583 IonicContact NH1-OE1 3.02Å; R579-E583 PolarHBondContact NH1-OE1 2.87Å; R579-E583 IonicContact NH1-OE2 3.2Å; R579-E583 PolarHBondContact NH1-OE2 3.15Å; R579-E583 WeakPolarHBondContact O-CG 3.24Å; R579-E583 PolarHBondContact O-N 2.96Å |
| 580 | Q | 92.9 | Very high | 83.8 | Confident | 101 Ų | 101 | 109.7 Ų | 109.7 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 176.8 | -68.8 | 174.4 | 8.3 | 0 | 0 | 112.5 | E576 V577 E583 A584 | E576-Q580 WeakPolarHBondContact O-CG 3.31Å; E576-Q580 PolarHBondContact O-N 2.89Å; E576-Q580 PolarHBondContact OE1-NE2 3.26Å; V577-Q580 PolarHBondContact O-N 2.89Å; Q580-E583 PolarHBondContact O-N 3.12Å; Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.88Å |
| 581 | Q | 91.3 | Very high | 81.3 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 172.3 | -77.5 | 175.4 | -21.4 | 0 | 0 | 112.6 | V577 Y578 R579 A584 V585 | V577-Q581 HydrophobicContact CG1-CG 4.5Å; V577-Q581 WeakPolarHBondContact O-CB 3.33Å; V577-Q581 WeakPolarHBondContact O-CG 3.3Å; V577-Q581 PolarHBondContact O-N 3.24Å; Y578-Q581 VanDerWaalsContact CD1-OE1 3.31Å; R579-Q581 VanDerWaalsContact C-N 3.26Å; R579-Q581 PolarHBondContact O-N 2.96Å; Q581-A584 PolarHBondContact O-N 2.93Å; Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.26Å; Q581-V585 PolarHBondContact O-N 3.13Å |
| 582 | R | 87.8 | Confident | 78.8 | Confident | 145 Ų | 145 | 109.9 Ų | 109.9 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 173.5 | -68.5 | -171.3 | -51.6 | -83.9 | 3.3 | 111.6 | Y578 R579 A584 V585 L586 | Y578-R582 WeakPolarHBondContact O-CG 3.5Å; Y578-R582 PolarHBondContact O-N 3.04Å; Y578-R582 PolarHBondContact O-NH1 2.77Å; R579-R582 PolarHBondContact O-N 3.19Å; R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.88Å; R582-V585 PolarHBondContact O-N 3.19Å; R582-L586 WeakPolarHBondContact O-CB 3.37Å; R582-L586 VanDerWaalsContact O-CG 3.32Å; R582-L586 WeakPolarHBondContact O-CG 3.34Å; R582-L586 PolarHBondContact O-N 3.09Å |
| 583 | E | 87.7 | Confident | 76.5 | Confident | 93 Ų | 93 | 108.1 Ų | 108.1 | 44% | 0.435 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.2 | -33 | 177.4 | -70.8 | 167.4 | -177.6 | 0 | 0 | 111.8 | R579 Q580 G587 | R579-E583 WeakPolarHBondContact CD-OE1 3.42Å; R579-E583 HydrophobicContact CG-CG 4.39Å; R579-E583 WeakPolarHBondContact CG-OE1 3.34Å; R579-E583 IonicContact CZ-OE1 2.69Å; R579-E583 IonicContact CZ-OE2 3.82Å; R579-E583 IonicContact NE-OE1 2.61Å; R579-E583 IonicContact NH1-OE1 3.02Å; R579-E583 PolarHBondContact NH1-OE1 2.87Å; R579-E583 IonicContact NH1-OE2 3.2Å; R579-E583 PolarHBondContact NH1-OE2 3.15Å; R579-E583 WeakPolarHBondContact O-CG 3.24Å; R579-E583 PolarHBondContact O-N 2.96Å; Q580-E583 PolarHBondContact O-N 3.12Å; E583-G587 WeakPolarHBondContact O-CA 3.37Å; E583-G587 PolarHBondContact O-N 3.23Å |
| 584 | A | 83.1 | Confident | 73.9 | Confident | 60 Ų | 60 | 103.9 Ų | 103.9 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.1 | -37 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q580 Q581 R582 R588 | Q580-A584 WeakPolarHBondContact O-CB 3.49Å; Q580-A584 PolarHBondContact O-N 2.88Å; Q581-A584 PolarHBondContact O-N 2.93Å; R582-A584 VanDerWaalsContact C-N 3.31Å; R582-A584 PolarHBondContact O-N 2.88Å; A584-R588 PolarHBondContact O-N 3.36Å |
| 585 | V | 82.7 | Confident | 71.8 | Confident | 118 Ų | 118 | 111.6 Ų | 111.6 | 72% | 0.715 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.6 | -41.7 | 176 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | Q581 R582 | Q581-V585 VanDerWaalsContact O-CG2 3.31Å; Q581-V585 WeakPolarHBondContact O-CG2 3.26Å; Q581-V585 PolarHBondContact O-N 3.13Å; R582-V585 PolarHBondContact O-N 3.19Å |
| 586 | L | 73.3 | Confident | 69.5 | Low | 140 Ų | 140 | 111.4 Ų | 111.4 | 73% | 0.733 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -82.3 | -30.9 | 179.6 | -63.7 | 170.8 | 0 | 0 | 0 | 112.8 | R582 | R582-L586 WeakPolarHBondContact O-CB 3.37Å; R582-L586 VanDerWaalsContact O-CG 3.32Å; R582-L586 WeakPolarHBondContact O-CG 3.34Å; R582-L586 PolarHBondContact O-N 3.09Å |
| 587 | G | 62.7 | Low | 67 | Low | 60 Ų | 60 | 113.8 Ų | 113.8 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -86 | -6.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | E583 | E583-G587 WeakPolarHBondContact O-CA 3.37Å; E583-G587 PolarHBondContact O-N 3.23Å |
| 588 | R | 52.3 | Low | 64.5 | Low | 186 Ų | 186 | 116.6 Ų | 116.6 | 70% | 0.702 | 63% | 0.632 | S | S | * | * | | | trans | -100.7 | 50.4 | 171 | -90.1 | -170.2 | 163.5 | -114.8 | 0.3 | 112.9 | A584 V590 | A584-R588 PolarHBondContact O-N 3.36Å; R588-V590 PolarHBondContact O-N 2.93Å |
| 589 | A | 42.2 | Very low | 61.9 | Low | 94 Ų | 94 | 114 Ų | 114 | 78% | 0.777 | 64% | 0.644 | S | S | * | * | | | trans | -72.4 | 48.4 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 590 | V | 40.9 | Very low | 59.8 | Low | 93 Ų | 93 | 116.5 Ų | 116.5 | 56% | 0.564 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -138 | 111.7 | 172.4 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | R588 V592 | R588-V590 PolarHBondContact O-N 2.93Å; V590-V592 HydrophobicContact CB-CG2 4.38Å; V590-V592 HydrophobicContact CG1-CG2 3.77Å; V590-V592 PolarHBondContact O-N 2.66Å |
| 591 | P | 45 | Very low | 57.7 | Low | 120 Ų | 120 | 116.5 Ų | 116.5 | 78% | 0.779 | 67% | 0.67 | S | S | * | * | | | trans | -76.7 | 73 | -178.1 | 31.8 | -35.3 | 0 | 0 | 0 | 111.2 | V593 | P591-V593 PolarHBondContact O-N 3.39Š|
| 592 | V | 45.7 | Very low | 55.7 | Low | 100 Ų | 100 | 116.6 Ų | 116.6 | 61% | 0.606 | 68% | 0.678 | S | S | * | * | | | trans | -75.2 | 70.7 | 170.9 | -171 | 0 | 0 | 0 | 0 | 109.2 | V590 S594 | V590-V592 HydrophobicContact CB-CG2 4.38Å; V590-V592 HydrophobicContact CG1-CG2 3.77Å; V590-V592 PolarHBondContact O-N 2.66Å; V592-S594 PolarHBondContact O-N 3.05Å |
| 593 | V | 47.5 | Very low | 53.3 | Low | 112 Ų | 112 | 117.2 Ų | 117.2 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | | | trans | -73.1 | 112.7 | 169.7 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | P591 R595 | P591-V593 PolarHBondContact O-N 3.39Å; V593-R595 PolarHBondContact O-N 2.78Å; V593-R595 VanDerWaalsContact O-N 3.07Å |
| 594 | S | 44.4 | Very low | 51.6 | Low | 82 Ų | 82 | 118 Ų | 118 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | | | trans | -64.1 | 106.5 | 175.4 | -56.2 | 0 | 0 | 0 | 0 | 110 | V592 T596 | V592-S594 PolarHBondContact O-N 3.05Å; S594-T596 PolarHBondContact O-N 2.79Å |
| 595 | R | 53.8 | Low | 49.8 | Very low | 247 Ų | 247 | 120 Ų | 120 | 93% | 0.932 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 17.3 | -178.5 | -74.5 | -171.6 | 166.2 | -161.2 | -4 | 115.2 | V593 | V593-R595 PolarHBondContact O-N 2.78Å; V593-R595 VanDerWaalsContact O-N 3.07Å |
| 596 | T | 46.9 | Very low | 47.7 | Very low | 124 Ų | 124 | 118.5 Ų | 118.5 | 76% | 0.761 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.7 | 12.1 | -162.7 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | S594 | S594-T596 PolarHBondContact O-N 2.79Š|
| 597 | T | 43.7 | Very low | 46.1 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | | | trans | -147.5 | 123.7 | 174.9 | -49 | 0 | 0 | 0 | 0 | 111.1 | | |
| 598 | P | 44 | Very low | 45.1 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | -80 | 140 | -177.4 | 31.3 | -34.3 | 0 | 0 | 0 | 112.9 | | |
| 599 | G | 39 | Very low | 44.5 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | | | trans | 81.2 | 70.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 600 | I | 48 | Very low | 44.4 | Very low | 153 Ų | 153 | 120.3 Ų | 120.3 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | trans | -113 | 112.4 | 146.9 | -59 | 179.9 | 0 | 0 | 0 | 107.6 | T602 | I600-T602 HydrophobicContact CG2-CG2 4.16Å; I600-T602 PolarHBondContact O-N 2.8Å |
| 601 | V | 50.7 | Low | 44.2 | Very low | 101 Ų | 101 | 120 Ų | 120 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | | | trans | -79.5 | 103.5 | 177.7 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | F603 | V601-F603 HydrophobicContact CG1-CD2 4.18Å; V601-F603 HydrophobicContact CG1-CE1 4.3Å; V601-F603 HydrophobicContact CG1-CE2 3.69Å; V601-F603 HydrophobicContact CG1-CZ 3.76Å |
| 602 | T | 47.3 | Very low | 43.8 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | | | trans | -97.3 | 100.7 | 175 | 52.7 | 0 | 0 | 0 | 0 | 110.8 | I600 V604 | I600-T602 HydrophobicContact CG2-CG2 4.16Å; I600-T602 PolarHBondContact O-N 2.8Å; T602-V604 PolarHBondContact O-N 2.76Å |
| 603 | F | 38.7 | Very low | 43.8 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 69% | 0.689 | 74% | 0.742 | S | S | * | * | | | trans | -68.7 | 126 | 169.9 | -62.4 | -84.5 | 0 | 0 | 0 | 110.3 | V601 | V601-F603 HydrophobicContact CG1-CD2 4.18Å; V601-F603 HydrophobicContact CG1-CE1 4.3Å; V601-F603 HydrophobicContact CG1-CE2 3.69Å; V601-F603 HydrophobicContact CG1-CZ 3.76Å |
| 604 | V | 51.4 | Low | 43.3 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | | | trans | -122.7 | 122.7 | 175.5 | 179.5 | 0 | 0 | 0 | 0 | 108 | T602 S606 | T602-V604 PolarHBondContact O-N 2.76Å; V604-S606 PolarHBondContact O-N 3.01Å |
| 605 | P | 44.9 | Very low | 43.1 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 66% | 0.662 | 76% | 0.762 | S | S | * | * | | | trans | -71.3 | 111.2 | 174.7 | 28.9 | -32.3 | 0 | 0 | 0 | 109.2 | | |
| 606 | S | 39.4 | Very low | 42.3 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | | | trans | -107.9 | 110.2 | -178.5 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | V604 A608 | V604-S606 PolarHBondContact O-N 3.01Å; S606-A608 VanDerWaalsContact C-N 3.32Å; S606-A608 PolarHBondContact O-N 2.76Å; S606-A608 VanDerWaalsContact O-N 3.15Å |
| 607 | S | 38.7 | Very low | 41.8 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -85.8 | 71.9 | 174.3 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | Q609 | S607-Q609 PolarHBondContact O-N 2.97Š|
| 608 | A | 41.7 | Very low | 41.3 | Very low | 85 Ų | 85 | 116.4 Ų | 116.4 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | | | trans | -77.8 | 108.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | S606 S610 | S606-A608 VanDerWaalsContact C-N 3.32Å; S606-A608 PolarHBondContact O-N 2.76Å; S606-A608 VanDerWaalsContact O-N 3.15Å; A608-S610 PolarHBondContact O-N 2.85Å |
| 609 | Q | 40.2 | Very low | 41.1 | Very low | 196 Ų | 196 | 119 Ų | 119 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | | | trans | -76.7 | 102.7 | 170.3 | -71.2 | 178.9 | -34.2 | 0 | 0 | 109.3 | S607 G611 | S607-Q609 PolarHBondContact O-N 2.97Å; Q609-G611 PolarHBondContact O-N 2.94Å |
| 610 | S | 39.6 | Very low | 41.3 | Very low | 117 Ų | 117 | 122.9 Ų | 122.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -78 | 92.6 | 170.8 | 54.3 | 0 | 0 | 0 | 0 | 110.3 | A608 G612 | A608-S610 PolarHBondContact O-N 2.85Å; S610-G612 PolarHBondContact O-N 3.02Å |
| 611 | G | 36.9 | Very low | 40.9 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | | | trans | -70.6 | 117 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q609 | Q609-G611 PolarHBondContact O-N 2.94Š|
| 612 | G | 37.2 | Very low | 40.6 | Very low | 67 Ų | 67 | 121.1 Ų | 121.1 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | | | trans | -170.2 | 86.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | S610 | S610-G612 PolarHBondContact O-N 3.02Š|
| 613 | L | 46.1 | Very low | 40.3 | Very low | 162 Ų | 162 | 121.5 Ų | 121.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | 21.1 | 120.5 | 164.9 | -71.7 | 92.2 | 0 | 0 | 0 | 120.8 | | |
| 614 | E | 36.7 | Very low | 40.9 | Very low | 180 Ų | 180 | 120.8 Ų | 120.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | | 43.3 | 86.5 | 125.3 | -59.4 | -58.5 | 149.1 | 0 | 0 | 119 | | |
| 615 | A | 41.2 | Very low | 40.3 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -146.7 | 133.5 | 150 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 616 | S | 35.8 | Very low | 40 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | | | trans | -77 | 136.9 | -168.5 | -54.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 617 | G | 37.1 | Very low | 40.1 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 104 | 50 | 145.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 618 | S | 32.8 | Very low | 40.6 | Very low | 103 Ų | 103 | 127 Ų | 127 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -142 | 139.8 | 152.1 | -173.7 | 0 | 0 | 0 | 0 | 111 | | |
| 619 | L | 40.7 | Very low | 40.6 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 95% | 0.948 | 77% | 0.769 | S | S | * | * | | | trans | -103.2 | 41.5 | -177.6 | -137.8 | 172.7 | 0 | 0 | 0 | 110.9 | | |
| 620 | E | 42.5 | Very low | 40.8 | Very low | 153 Ų | 153 | 123.7 Ų | 123.7 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | | | trans | -87.2 | 132.4 | -173.6 | -165.7 | 163.7 | -168.1 | 0 | 0 | 112 | | |
| 621 | S | 38.8 | Very low | 40.9 | Very low | 95 Ų | 95 | 124 Ų | 124 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | -68.4 | 136.1 | 179.4 | -169.7 | 0 | 0 | 0 | 0 | 110.3 | V623 | S621-V623 PolarHBondContact O-N 3.36Š|
| 622 | P | 44.1 | Very low | 41 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | | | trans | -61.4 | 107.7 | -177.3 | 24.2 | -34.1 | 0 | 0 | 0 | 111.1 | L624 | P622-L624 PolarHBondContact O-N 3.49Š|
| 623 | V | 42.6 | Very low | 41.1 | Very low | 118 Ų | 118 | 127.5 Ų | 127.5 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | | | trans | -62.6 | 134 | -179.5 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | S621 E625 | S621-V623 PolarHBondContact O-N 3.36Å; V623-E625 VanDerWaalsContact C-N 3.26Å; V623-E625 PolarHBondContact O-N 3.49Å |
| 624 | L | 50.6 | Low | 41 | Very low | 141 Ų | 141 | 125.1 Ų | 125.1 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | | | trans | -73.1 | 79.7 | 174.1 | -100.2 | 159.2 | 0 | 0 | 0 | 110.3 | P622 W626 | P622-L624 PolarHBondContact O-N 3.49Å; L624-W626 PolarHBondContact O-N 3.46Å; L624-W626 PolarHBondContact O-NE1 2.87Å |
| 625 | E | 39.3 | Very low | 41.3 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | trans | -71.6 | 120.7 | 177.8 | -168.4 | 179.9 | -172.6 | 0 | 0 | 111.5 | V623 S627 | V623-E625 VanDerWaalsContact C-N 3.26Å; V623-E625 PolarHBondContact O-N 3.49Å; E625-S627 PolarHBondContact O-N 3.16Å |
| 626 | W | 37.2 | Very low | 41.4 | Very low | 176 Ų | 176 | 121.9 Ų | 121.9 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | | | trans | -88.3 | 82.6 | -179.5 | -67.8 | 83.8 | 0 | 0 | 0 | 110.9 | L624 K628 | L624-W626 PolarHBondContact O-N 3.46Å; L624-W626 PolarHBondContact O-NE1 2.87Å; W626-K628 PolarHBondContact O-N 2.86Å |
| 627 | S | 42.9 | Very low | 41.7 | Very low | 74 Ų | 74 | 120.2 Ų | 120.2 | 52% | 0.517 | 73% | 0.728 | S | S | . | * | | | trans | -60 | 121 | 179 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | E625 V629 | E625-S627 PolarHBondContact O-N 3.16Å; S627-V629 VanDerWaalsContact C-N 3.27Å; S627-V629 PolarHBondContact O-N 2.66Å |
| 628 | K | 47.8 | Very low | 42.2 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 56% | 0.561 | 73% | 0.727 | S | S | * | * | | | trans | -72.9 | 72.1 | 177.3 | -177.9 | -162.9 | 165.3 | -170.5 | 0 | 110.5 | W626 T630 E639 | W626-K628 PolarHBondContact O-N 2.86Å; K628-T630 VanDerWaalsContact C-N 3.33Å; K628-T630 HydrophobicContact CG-CG2 4.38Å; K628-T630 PolarHBondContact O-N 2.92Å; K628-E639 VanDerWaalsContact NZ-CD 3.27Å; K628-E639 IonicContact NZ-OE1 2.99Å; K628-E639 PolarHBondContact NZ-OE1 3.26Å; K628-E639 IonicContact NZ-OE2 2.7Å; K628-E639 PolarHBondContact NZ-OE2 3.12Å |
| 629 | V | 41.6 | Very low | 42.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | | | trans | -78.6 | 80.7 | 177.6 | -171.5 | 0 | 0 | 0 | 0 | 110.8 | S627 S631 | S627-V629 VanDerWaalsContact C-N 3.27Å; S627-V629 PolarHBondContact O-N 2.66Å; V629-S631 PolarHBondContact O-N 3.37Å |
| 630 | T | 46 | Very low | 42.7 | Very low | 89 Ų | 89 | 121 Ų | 121 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | | | trans | -74.1 | 114.5 | 164.8 | 44 | 0 | 0 | 0 | 0 | 109.7 | K628 G632 | K628-T630 VanDerWaalsContact C-N 3.33Å; K628-T630 HydrophobicContact CG-CG2 4.38Å; K628-T630 PolarHBondContact O-N 2.92Å; T630-G632 PolarHBondContact O-N 3.27Å |
| 631 | S | 40.8 | Very low | 42.8 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | | | trans | -76.5 | 59 | 176 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | V629 | V629-S631 PolarHBondContact O-N 3.37Š|
| 632 | G | 39.9 | Very low | 42.9 | Very low | 49 Ų | 49 | 119.1 Ų | 119.1 | 51% | 0.505 | 72% | 0.718 | S | S | . | * | | | trans | -126.8 | 126.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T630 V634 | T630-G632 PolarHBondContact O-N 3.27Å; G632-V634 PolarHBondContact O-N 3.3Å |
| 633 | M | 37.6 | Very low | 42.6 | Very low | 176 Ų | 176 | 117.4 Ų | 117.4 | 87% | 0.867 | 71% | 0.709 | S | S | * | * | | | trans | -80.5 | 96.8 | 178.8 | -171 | -177.2 | 81.9 | 0 | 0 | 109.6 | L635 | M633-L635 HydrophobicContact CE-CD1 3.93Å; M633-L635 HydrophobicContact CG-CD1 4.37Å |
| 634 | V | 45.7 | Very low | 42.4 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | | | trans | -95.1 | 111.4 | -179.5 | 179.2 | 0 | 0 | 0 | 0 | 109.9 | G632 G636 | G632-V634 PolarHBondContact O-N 3.3Å; V634-G636 VanDerWaalsContact CG1-O 3.26Å; V634-G636 WeakPolarHBondContact CG1-O 3.38Å |
| 635 | L | 41.7 | Very low | 42 | Very low | 151 Ų | 151 | 117.7 Ų | 117.7 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | | | trans | -87.6 | 128.9 | 159.6 | -84.1 | 77.1 | 0 | 0 | 0 | 108.3 | M633 | M633-L635 HydrophobicContact CE-CD1 3.93Å; M633-L635 HydrophobicContact CG-CD1 4.37Å |
| 636 | G | 44.2 | Very low | 42 | Very low | 59 Ų | 59 | 116.2 Ų | 116.2 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 87 | 134.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | V634 Q638 | V634-G636 VanDerWaalsContact CG1-O 3.26Å; V634-G636 WeakPolarHBondContact CG1-O 3.38Å; G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.32Å |
| 637 | G | 42.5 | Very low | 42.4 | Very low | 96 Ų | 96 | 113 Ų | 113 | 99% | 0.99 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -78.4 | 66.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 638 | Q | 47.3 | Very low | 41.9 | Very low | 177 Ų | 177 | 116.7 Ų | 116.7 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | | | trans | -139.3 | 90.3 | 174.9 | -166.7 | 170.6 | 61.9 | 0 | 0 | 111 | G636 | G636-Q638 VanDerWaalsContact C-N 3.33Å; G636-Q638 PolarHBondContact O-N 3.32Å |
| 639 | E | 41.6 | Very low | 41.3 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 60% | 0.603 | 73% | 0.73 | S | S | * | * | | | trans | -72.9 | 127.7 | 174.8 | -171.3 | 168.1 | -164.7 | 0 | 0 | 110.1 | K628 | K628-E639 VanDerWaalsContact NZ-CD 3.27Å; K628-E639 IonicContact NZ-OE1 2.99Å; K628-E639 PolarHBondContact NZ-OE1 3.26Å; K628-E639 IonicContact NZ-OE2 2.7Å; K628-E639 PolarHBondContact NZ-OE2 3.12Å |
| 640 | A | 42.7 | Very low | 40.9 | Very low | 77 Ų | 77 | 123.1 Ų | 123.1 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | -72.6 | 127.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G642 | A640-G642 PolarHBondContact O-N 3.4Š|
| 641 | P | 43.4 | Very low | 40.3 | Very low | 140 Ų | 140 | 123.1 Ų | 123.1 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 89 | -177.1 | 30 | -35.2 | 0 | 0 | 0 | 111.8 | | |
| 642 | G | 42.4 | Very low | 39.8 | Very low | 69 Ų | 69 | 127.9 Ų | 127.9 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -170.9 | -6.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | A640 F644 | A640-G642 PolarHBondContact O-N 3.4Å; G642-F644 PolarHBondContact O-N 3.29Å |
| 643 | S | 37.9 | Very low | 39.5 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | | | trans | -87.1 | 100.1 | -177.7 | 48.1 | 0 | 0 | 0 | 0 | 112.7 | C645 | S643-C645 PolarHBondContact O-N 3.43Š|
| 644 | F | 38 | Very low | 39.3 | Very low | 177 Ų | 177 | 132 Ų | 132 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | | | trans | -81.5 | 95.6 | 172.6 | 72.2 | -81.8 | 0 | 0 | 0 | 111.3 | G642 L646 | G642-F644 PolarHBondContact O-N 3.29Å; F644-L646 HydrophobicContact CD2-CG 4.32Å; F644-L646 PolarHBondContact O-N 3.18Å |
| 645 | C | 41.5 | Very low | 38.8 | Very low | 88 Ų | 88 | 131.4 Ų | 131.4 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | | | trans | -84.6 | 108.3 | 171.2 | -72.8 | 0 | 0 | 0 | 0 | 110.5 | S643 C647 | S643-C645 PolarHBondContact O-N 3.43Å; C645-C647 VanDerWaalsContact C-N 3.29Å; C645-C647 PolarHBondContact O-N 2.9Å |
| 646 | L | 39.6 | Very low | 38.3 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | trans | -74.3 | 81.9 | 171.7 | -71.2 | 175.4 | 0 | 0 | 0 | 110.5 | F644 L648 | F644-L646 HydrophobicContact CD2-CG 4.32Å; F644-L646 PolarHBondContact O-N 3.18Å; L646-L648 PolarHBondContact O-N 2.92Å |
| 647 | C | 45.4 | Very low | 37.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -70.7 | 70 | 179.3 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | C645 N649 | C645-C647 VanDerWaalsContact C-N 3.29Å; C645-C647 PolarHBondContact O-N 2.9Å; C647-N649 PolarHBondContact O-N 3.43Å |
| 648 | L | 32.6 | Very low | 37.8 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -74.6 | 59.9 | 175.4 | -66.7 | 176.4 | 0 | 0 | 0 | 112.3 | L646 | L646-L648 PolarHBondContact O-N 2.92Š|
| 649 | N | 34.4 | Very low | 37.5 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -158.2 | 82.6 | 170.1 | -94.8 | -30.9 | 0 | 0 | 0 | 111.3 | C647 | C647-N649 PolarHBondContact O-N 3.43Š|
| 650 | R | 33.6 | Very low | 37.6 | Very low | 232 Ų | 232 | 136.9 Ų | 136.9 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | | | trans | -144.6 | 70.4 | 161.7 | -155.4 | 177.2 | -166.3 | -156.2 | 2.3 | 110.6 | | |
| 651 | A | 33.5 | Very low | 37.3 | Very low | 89 Ų | 89 | 139.7 Ų | 139.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -91 | 126.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 652 | W | 30.8 | Very low | 37 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | 20.2 | 103.1 | 168.8 | -70.5 | -60.8 | 0 | 0 | 0 | 118.8 | | |
| 653 | N | 32.3 | Very low | 37 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | trans | -150.7 | 87 | 137 | -92.7 | -28.1 | 0 | 0 | 0 | 107.9 | | |
| 654 | H | 33.8 | Very low | 36.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | | | trans | -126.5 | 96.7 | 166 | -86.7 | -80.6 | 0 | 0 | 0 | 107 | | |
| 655 | A | 35.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -109.8 | 109.5 | 156 | 0 | 0 | 0 | 0 | 0 | 104.9 | T657 | A655-T657 PolarHBondContact O-N 3.27Š|
| 656 | E | 32.5 | Very low | 36.7 | Very low | 174 Ų | 174 | 138.8 Ų | 138.8 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -82 | 110.7 | -179.1 | -68.5 | 167.2 | 126.5 | 0 | 0 | 109 | | |
| 657 | T | 35.3 | Very low | 37 | Very low | 135 Ų | 135 | 141.2 Ų | 141.2 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | | | trans | -109.4 | 111.4 | 153 | -55.9 | 0 | 0 | 0 | 0 | 106.4 | A655 | A655-T657 PolarHBondContact O-N 3.27Š|
| 658 | L | 39.5 | Very low | 36.6 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -73.1 | 138.7 | 173.2 | -70.7 | 152 | 0 | 0 | 0 | 109.4 | | |
| 659 | D | 41.9 | Very low | 36.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | | | trans | -150.6 | 137.7 | 140.7 | -101.8 | -41.2 | 0 | 0 | 0 | 109.5 | | |
| 660 | P | 42.8 | Very low | 36.9 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 82% | 0.818 | S | S | * | * | | | trans | -85.7 | 156.8 | -172.2 | 34.1 | -35.6 | 0 | 0 | 0 | 113.2 | | |
| 661 | P | 36.9 | Very low | 37.1 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -84.1 | 138.7 | -176.1 | 32.9 | -34.7 | 0 | 0 | 0 | 113.6 | | |
| 662 | G | 36.9 | Very low | 37.3 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 114.3 | 103.7 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 663 | M | 41.8 | Very low | 37.7 | Very low | 193 Ų | 193 | 135.4 Ų | 135.4 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | | -150.5 | 145.4 | 117.9 | -111.9 | -58.6 | 169.5 | 0 | 0 | 110.4 | | |
| 664 | G | 36.1 | Very low | 38 | Very low | 73 Ų | 73 | 133.4 Ų | 133.4 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | | | trans | -108.6 | 133.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 665 | G | 36.5 | Very low | 38 | Very low | 73 Ų | 73 | 133.6 Ų | 133.6 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | | | trans | 177.5 | 106.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 666 | P | 38.5 | Very low | 38.1 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | | | trans | -94.8 | 122.7 | 177.9 | 33.6 | -28.8 | 0 | 0 | 0 | 111.3 | | |
| 667 | Q | 45.6 | Very low | 38 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | | | trans | -157.8 | 156.4 | 156.4 | -126 | 167.9 | 23 | 0 | 0 | 113.7 | | |
| 668 | D | 38.6 | Very low | 37.9 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -61.6 | 150 | -175.6 | -57 | -91.5 | 0 | 0 | 0 | 114.5 | | |
| 669 | G | 38.5 | Very low | 37.8 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | -175.8 | 102.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 670 | R | 34.8 | Very low | 37.5 | Very low | 233 Ų | 233 | 128.7 Ų | 128.7 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | | | trans | -70.1 | 139.3 | 165.7 | -49.2 | 176.1 | -140.6 | -106.4 | -3.1 | 108 | | |
| 671 | D | 37.6 | Very low | 37 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | | 171.4 | 124.4 | 107.7 | -84.9 | -22.8 | 0 | 0 | 0 | 110.1 | | |
| 672 | A | 38 | Very low | 36.9 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -105.5 | 143.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 673 | P | 39.2 | Very low | 36.6 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -133.4 | 127.5 | 145.4 | 18.9 | 1.6 | 0 | 0 | 0 | 114.6 | | |
| 674 | V | 37.8 | Very low | 36.2 | Very low | 123 Ų | 123 | 126 Ų | 126 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | | | | 70.2 | 99.2 | 130 | -175.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 675 | L | 33.9 | Very low | 36.1 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | | | | 40.3 | 126.6 | 124.2 | -52.5 | 173.4 | 0 | 0 | 0 | 119.9 | | |
| 676 | L | 37.3 | Very low | 36 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | | | | -157.5 | 145 | 105.2 | -104.8 | 164.9 | 0 | 0 | 0 | 110.9 | | |
| 677 | S | 30.8 | Very low | 35.9 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | | | trans | -112.9 | 150.6 | -169.3 | -178.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 678 | A | 33.4 | Very low | 35.4 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -159.2 | 58.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 679 | S | 36.8 | Very low | 35.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -96.3 | 150.6 | 156.6 | -67 | 0 | 0 | 0 | 0 | 110 | | |
| 680 | P | 35.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -115 | 119.4 | 138.2 | -6.1 | 26.1 | 0 | 0 | 0 | 111.9 | | |
| 681 | S | 32 | Very low | 35 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | | 32.1 | 124.3 | 124.8 | 58 | 0 | 0 | 0 | 0 | 118.3 | | |
| 682 | L | 34.2 | Very low | 35 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | cis | 57.6 | 82.8 | 20.9 | -135.4 | 176.1 | 0 | 0 | 0 | 112.6 | | |
| 683 | G | 32.1 | Very low | 34.9 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | trans | -130 | 117 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 684 | S | 33.3 | Very low | 34.5 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | 27.5 | 108.7 | 153.9 | -49.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 685 | L | 34 | Very low | 34.9 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | | 75.7 | 91.7 | 65.7 | -171.6 | 128.8 | 0 | 0 | 0 | 113.6 | | |
| 686 | E | 33.4 | Very low | 34.9 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | | | trans | -147.3 | 139.3 | 133.6 | -143.6 | -177.8 | 166.9 | 0 | 0 | 109.6 | | |
| 687 | L | 36.3 | Very low | 35.2 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -125.1 | 90 | -167.7 | 174.3 | 108 | 0 | 0 | 0 | 110.2 | | |
| 688 | Q | 35.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | | | trans | -140.2 | 163.6 | 170.4 | -66.4 | -164 | 64.3 | 0 | 0 | 112.2 | | |
| 689 | D | 34.7 | Very low | 35.3 | Very low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | 64 | 52.5 | 177.3 | -67.7 | -2.5 | 0 | 0 | 0 | 118.3 | T691 | D689-T691 PolarHBondContact O-N 2.92Š|
| 690 | L | 35.7 | Very low | 35.2 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -55 | 81 | 143 | -93.1 | 163.8 | 0 | 0 | 0 | 111.4 | | |
| 691 | T | 33.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -168.6 | 97.3 | 156.3 | 12.5 | 0 | 0 | 0 | 0 | 114.2 | D689 | D689-T691 PolarHBondContact O-N 2.92Š|
| 692 | T | 38.3 | Very low | 35.8 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -169.7 | 95.3 | 133.6 | -79.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 693 | R | 34.5 | Very low | 36.5 | Very low | 220 Ų | 220 | 148.2 Ų | 148.2 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | 36.7 | 114.5 | 135 | -51.2 | 178.8 | -170.2 | -147.6 | -0.6 | 120 | | |
| 694 | Y | 31.2 | Very low | 37.3 | Very low | 219 Ų | 219 | 148.7 Ų | 148.7 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | 37.8 | 117.9 | 131.9 | -67.6 | -89.7 | 0 | 0 | 0 | 120.1 | | |
| 695 | L | 45.8 | Very low | 38.3 | Very low | 127 Ų | 127 | 148.1 Ų | 148.1 | 67% | 0.665 | 76% | 0.755 | S | S | * | * | | | | 177.3 | 104.8 | 126.1 | -100.9 | 159.8 | 0 | 0 | 0 | 114.3 | R697 | L695-R697 HydrophobicContact CB-CB 4.33Å; L695-R697 HydrophobicContact CD2-CB 4.31Å; L695-R697 HydrophobicContact CD2-CG 4.13Å; L695-R697 PolarHBondContact O-N 3.27Å |
| 696 | P | 35.4 | Very low | 39.3 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | -76.4 | 88.1 | 163.5 | 30.9 | -32.4 | 0 | 0 | 0 | 109.9 | G698 | P696-G698 PolarHBondContact O-N 2.94Š|
| 697 | R | 42.3 | Very low | 40.2 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | -106.4 | 68.6 | -164.2 | -148.2 | 178.6 | -156.4 | -149.3 | 7.9 | 115.2 | L695 | L695-R697 HydrophobicContact CB-CB 4.33Å; L695-R697 HydrophobicContact CD2-CB 4.31Å; L695-R697 HydrophobicContact CD2-CG 4.13Å; L695-R697 PolarHBondContact O-N 3.27Å |
| 698 | G | 32.9 | Very low | 41 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 71% | 0.711 | S | S | * | * | | | trans | 64 | 104.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | P696 C700 | P696-G698 PolarHBondContact O-N 2.94Å; G698-C700 PolarHBondContact O-N 3.46Å |
| 699 | M | 34.4 | Very low | 41.9 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | | | trans | -62.7 | 86.8 | 179.1 | -61.1 | -162.9 | -54.2 | 0 | 0 | 113.4 | I701 | M699-I701 HydrophobicContact CB-CG1 4.35Å; M699-I701 PolarHBondContact O-N 3.45Å |
| 700 | C | 33.3 | Very low | 42.7 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | | | trans | -85.6 | 88.4 | 160.6 | -63.7 | 0 | 0 | 0 | 0 | 107.3 | G698 Y702 | G698-C700 PolarHBondContact O-N 3.46Å; C700-Y702 PolarHBondContact O-N 2.91Å |
| 701 | I | 42.3 | Very low | 43.4 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 67% | 0.667 | 69% | 0.69 | S | S | * | * | | | trans | -68.6 | 86.1 | 178.8 | -56.3 | 178.1 | 0 | 0 | 0 | 109 | M699 L703 | M699-I701 HydrophobicContact CB-CG1 4.35Å; M699-I701 PolarHBondContact O-N 3.45Å; I701-L703 HydrophobicContact CG2-CD1 4.17Å; I701-L703 HydrophobicContact CG2-CG 3.92Å; I701-L703 PolarHBondContact O-N 3.43Å |
| 702 | Y | 38.8 | Very low | 44.1 | Very low | 225 Ų | 225 | 133.2 Ų | 133.2 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | | | trans | -86.4 | 84.1 | 163 | -113.8 | -84.6 | 0 | 0 | 0 | 107.1 | C700 | C700-Y702 PolarHBondContact O-N 2.91Š|
| 703 | L | 49.3 | Very low | 44.7 | Very low | 91 Ų | 91 | 132.7 Ų | 132.7 | 48% | 0.476 | 68% | 0.68 | S | S | . | * | | | trans | -56.3 | 137.3 | 165.4 | -81.6 | 150.8 | 0 | 0 | 0 | 109 | I701 E707 L711 | I701-L703 HydrophobicContact CG2-CD1 4.17Å; I701-L703 HydrophobicContact CG2-CG 3.92Å; I701-L703 PolarHBondContact O-N 3.43Å; L703-E707 HydrophobicContact CD2-CB 4.41Å; L703-L711 HydrophobicContact CD2-CD1 4.38Å |
| 704 | D | 47.5 | Very low | 45.5 | Very low | 77 Ų | 77 | 124.2 Ų | 124.2 | 41% | 0.412 | 66% | 0.655 | S | S | . | * | | | trans | -64.6 | 134.3 | 170.2 | -170.1 | -53.9 | 0 | 0 | 0 | 108 | K706 E707 A708 | D704-K706 PolarHBondContact O-N 2.89Å; D704-K706 WeakPolarHBondContact OD1-CB 3.46Å; D704-K706 WeakPolarHBondContact OD1-CG 3.44Å; D704-K706 PolarHBondContact OD1-N 3.46Å; D704-E707 HydrophobicContact CB-CB 4.5Å; D704-E707 HydrophobicContact CB-CG 4.08Å; D704-E707 PolarHBondContact N-OE2 3.45Å; D704-E707 PolarHBondContact O-N 2.99Å; D704-A708 PolarHBondContact O-N 3.39Å |
| 705 | P | 55.7 | Low | 46.5 | Very low | 101 Ų | 101 | 117.2 Ų | 117.2 | 66% | 0.656 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -53.4 | -24.3 | 174.8 | 21 | -33.5 | 0 | 0 | 0 | 113.9 | | |
| 706 | K | 54.9 | Low | 47.3 | Very low | 151 Ų | 151 | 114.2 Ų | 114.2 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.2 | -39.6 | 173 | -64.8 | 176.7 | 177.1 | 179.7 | 0 | 113 | D704 A708 E709 H710 | D704-K706 PolarHBondContact O-N 2.89Å; D704-K706 WeakPolarHBondContact OD1-CB 3.46Å; D704-K706 WeakPolarHBondContact OD1-CG 3.44Å; D704-K706 PolarHBondContact OD1-N 3.46Å; K706-A708 VanDerWaalsContact C-N 3.28Å; K706-A708 PolarHBondContact O-N 2.8Å; K706-E709 PolarHBondContact O-N 3.3Å; K706-H710 PolarHBondContact O-CD2 3.31Å; K706-H710 VanDerWaalsContact O-CD2 3.29Å |
| 707 | E | 51.7 | Low | 49 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66 | -35.2 | 175.8 | -66.7 | 173 | 156.6 | 0 | 0 | 111.1 | L703 D704 E709 H710 L711 | L703-E707 HydrophobicContact CD2-CB 4.41Å; D704-E707 HydrophobicContact CB-CB 4.5Å; D704-E707 HydrophobicContact CB-CG 4.08Å; D704-E707 PolarHBondContact N-OE2 3.45Å; D704-E707 PolarHBondContact O-N 2.99Å; E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 2.94Å; E707-H710 PolarHBondContact O-N 3.31Å; E707-L711 WeakPolarHBondContact O-CG 3.2Å; E707-L711 PolarHBondContact O-N 3.43Å |
| 708 | A | 53.7 | Low | 50.5 | Low | 55 Ų | 55 | 108.9 Ų | 108.9 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.9 | -28.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D704 K706 | D704-A708 PolarHBondContact O-N 3.39Å; K706-A708 VanDerWaalsContact C-N 3.28Å; K706-A708 PolarHBondContact O-N 2.8Å |
| 709 | E | 53.9 | Low | 52.8 | Low | 165 Ų | 165 | 111.5 Ų | 111.5 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.1 | -29.4 | 178.3 | -69.8 | -176 | 163.7 | 0 | 0 | 112.6 | K706 E707 L711 | K706-E709 PolarHBondContact O-N 3.3Å; E707-E709 VanDerWaalsContact C-N 3.26Å; E707-E709 PolarHBondContact O-N 2.94Å; E709-L711 VanDerWaalsContact C-N 3.3Å; E709-L711 PolarHBondContact O-N 3.18Å |
| 710 | H | 52.8 | Low | 55.1 | Low | 167 Ų | 167 | 111.9 Ų | 111.9 | 77% | 0.773 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.2 | -17.6 | 173.2 | -67.8 | -67.3 | 0 | 0 | 0 | 113.4 | K706 E707 G712 | K706-H710 PolarHBondContact O-CD2 3.31Å; K706-H710 VanDerWaalsContact O-CD2 3.29Å; E707-H710 PolarHBondContact O-N 3.31Å; H710-G712 VanDerWaalsContact C-N 3.28Å; H710-G712 PolarHBondContact O-N 3.39Å |
| 711 | L | 49.3 | Very low | 57.6 | Low | 79 Ų | 79 | 111.6 Ų | 111.6 | 41% | 0.414 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84 | 21.8 | -176.4 | -78.4 | 171.2 | 0 | 0 | 0 | 115 | L703 E707 E709 T713 S714 | L703-L711 HydrophobicContact CD2-CD1 4.38Å; E707-L711 WeakPolarHBondContact O-CG 3.2Å; E707-L711 PolarHBondContact O-N 3.43Å; E709-L711 VanDerWaalsContact C-N 3.3Å; E709-L711 PolarHBondContact O-N 3.18Å; L711-T713 PolarHBondContact O-N 2.97Å; L711-T713 VanDerWaalsContact O-N 3.09Å; L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.22Å; L711-S714 PolarHBondContact O-OG 3.28Å |
| 712 | G | 48.3 | Very low | 59.9 | Low | 58 Ų | 58 | 110.1 Ų | 110.1 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -54.2 | -31.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | H710 S715 | H710-G712 VanDerWaalsContact C-N 3.28Å; H710-G712 PolarHBondContact O-N 3.39Å; G712-S715 PolarHBondContact O-OG 3.43Å; G712-S715 VanDerWaalsContact O-OG 3.13Å |
| 713 | T | 50.5 | Low | 62.4 | Low | 117 Ų | 117 | 104.9 Ų | 104.9 | 72% | 0.718 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -76.2 | -25 | 176.3 | 46.5 | 0 | 0 | 0 | 0 | 114.1 | L711 S715 S716 | L711-T713 PolarHBondContact O-N 2.97Å; L711-T713 VanDerWaalsContact O-N 3.09Å; T713-S715 PolarHBondContact O-N 3.49Å; T713-S716 PolarHBondContact O-N 2.87Å; T713-S716 PolarHBondContact O-OG 3.31Å |
| 714 | S | 51.6 | Low | 64.3 | Low | 43 Ų | 43 | 103.2 Ų | 103.2 | 30% | 0.301 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -68.5 | -15.6 | -174.8 | 73.8 | 0 | 0 | 0 | 0 | 114.5 | L711 S716 L717 H718 | L711-S714 WeakPolarHBondContact O-CB 3.21Å; L711-S714 PolarHBondContact O-N 3.22Å; L711-S714 PolarHBondContact O-OG 3.28Å; S714-S716 PolarHBondContact O-N 3.32Å; S714-S716 VanDerWaalsContact O-N 3.15Å; S714-L717 PolarHBondContact O-N 3.46Å; S714-H718 PolarHBondContact O-N 3.19Å |
| 715 | S | 52.1 | Low | 66.6 | Low | 71 Ų | 71 | 104.8 Ų | 104.8 | 50% | 0.497 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -52.1 | -34.4 | 173.8 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | G712 T713 L719 | G712-S715 PolarHBondContact O-OG 3.43Å; G712-S715 VanDerWaalsContact O-OG 3.13Å; T713-S715 PolarHBondContact O-N 3.49Å; S715-L719 WeakPolarHBondContact O-CG 3.12Å; S715-L719 PolarHBondContact O-N 3.3Å |
| 716 | S | 62.3 | Low | 68.5 | Low | 65 Ų | 65 | 105.6 Ų | 105.6 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -47.7 | 173.5 | 61.6 | 0 | 0 | 0 | 0 | 113.3 | T713 S714 L719 R720 | T713-S716 PolarHBondContact O-N 2.87Å; T713-S716 PolarHBondContact O-OG 3.31Å; S714-S716 PolarHBondContact O-N 3.32Å; S714-S716 VanDerWaalsContact O-N 3.15Å; S716-L719 PolarHBondContact O-N 2.98Å; S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.42Å |
| 717 | L | 71.1 | Confident | 70.5 | Confident | 123 Ų | 123 | 104.1 Ų | 104.1 | 64% | 0.644 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | -178.3 | -63.9 | 177.9 | 0 | 0 | 0 | 111.8 | S714 L719 R720 H721 | S714-L717 PolarHBondContact O-N 3.46Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.8Å; L717-R720 PolarHBondContact O-N 2.97Å; L717-H721 WeakPolarHBondContact O-CB 3.44Å; L717-H721 PolarHBondContact O-N 3.48Å |
| 718 | H | 74.4 | Confident | 72.5 | Confident | 108 Ų | 108 | 101.4 Ų | 101.4 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -34.1 | 177.3 | -170.6 | 64.7 | 0 | 0 | 0 | 112.5 | S714 K722 | S714-H718 PolarHBondContact O-N 3.19Å; H718-K722 VanDerWaalsContact NE2-CE 3.3Å; H718-K722 WeakPolarHBondContact NE2-CE 3.48Å; H718-K722 PolarHBondContact NE2-NZ 3.12Å; H718-K722 WeakPolarHBondContact O-CG 3.48Å; H718-K722 PolarHBondContact O-N 3.2Å |
| 719 | L | 80.2 | Confident | 74.5 | Confident | 118 Ų | 118 | 104 Ų | 104 | 62% | 0.618 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.3 | -45 | 172.7 | -70.1 | 170.9 | 0 | 0 | 0 | 111.7 | S715 S716 L717 H721 K722 Q723 | S715-L719 WeakPolarHBondContact O-CG 3.12Å; S715-L719 PolarHBondContact O-N 3.3Å; S716-L719 PolarHBondContact O-N 2.98Å; L717-L719 VanDerWaalsContact C-N 3.3Å; L717-L719 PolarHBondContact O-N 2.8Å; L719-H721 PolarHBondContact O-N 3.01Å; L719-K722 PolarHBondContact O-N 3.22Å; L719-Q723 WeakPolarHBondContact O-CB 3.29Å; L719-Q723 PolarHBondContact O-N 3.32Å |
| 720 | R | 82.6 | Confident | 76.6 | Confident | 181 Ų | 181 | 101.2 Ų | 101.2 | 68% | 0.683 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 175.8 | -73.1 | -68.8 | -169.2 | 173.1 | 4.4 | 112.2 | S716 L717 Q723 A724 | S716-R720 WeakPolarHBondContact O-CG 3.47Å; S716-R720 PolarHBondContact O-N 3.42Å; L717-R720 PolarHBondContact O-N 2.97Å; R720-Q723 PolarHBondContact O-N 2.97Å; R720-A724 WeakPolarHBondContact O-CB 3.26Å; R720-A724 PolarHBondContact O-N 2.97Å |
| 721 | H | 87.2 | Confident | 78.6 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.7 | 179.4 | 76.6 | 0 | 0 | 0 | 112.1 | L717 L719 Q723 A724 Q725 | L717-H721 WeakPolarHBondContact O-CB 3.44Å; L717-H721 PolarHBondContact O-N 3.48Å; L719-H721 PolarHBondContact O-N 3.01Å; H721-Q723 VanDerWaalsContact C-N 3.35Å; H721-Q723 PolarHBondContact O-N 3.29Å; H721-A724 PolarHBondContact O-N 2.93Å; H721-Q725 WeakPolarHBondContact O-CB 3.5Å; H721-Q725 PolarHBondContact O-N 3.21Å |
| 722 | K | 89.1 | Confident | 80.8 | Confident | 98 Ų | 98 | 96.7 Ų | 96.7 | 43% | 0.426 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 174.6 | -82.1 | 173.9 | 165.3 | 168.4 | 0 | 112.9 | H718 L719 Q725 L726 | H718-K722 VanDerWaalsContact NE2-CE 3.3Å; H718-K722 WeakPolarHBondContact NE2-CE 3.48Å; H718-K722 PolarHBondContact NE2-NZ 3.12Å; H718-K722 WeakPolarHBondContact O-CG 3.48Å; H718-K722 PolarHBondContact O-N 3.2Å; L719-K722 PolarHBondContact O-N 3.22Å; K722-Q725 PolarHBondContact O-N 3.04Å; K722-L726 WeakPolarHBondContact O-CG 3.39Å; K722-L726 PolarHBondContact O-N 2.92Å |
| 723 | Q | 92.5 | Very high | 83.1 | Confident | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 176.3 | -171 | 171.6 | 5.1 | 0 | 0 | 111.5 | L719 R720 H721 Q725 L726 Q727 | L719-Q723 WeakPolarHBondContact O-CB 3.29Å; L719-Q723 PolarHBondContact O-N 3.32Å; R720-Q723 PolarHBondContact O-N 2.97Å; H721-Q723 VanDerWaalsContact C-N 3.35Å; H721-Q723 PolarHBondContact O-N 3.29Å; Q723-Q725 VanDerWaalsContact C-N 3.34Å; Q723-Q725 PolarHBondContact O-N 3.18Å; Q723-L726 PolarHBondContact O-N 3.15Å; Q723-Q727 WeakPolarHBondContact O-CB 3.34Å; Q723-Q727 PolarHBondContact O-N 3.22Å |
| 724 | A | 89.9 | Confident | 85.3 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R720 H721 Q727 A728 | R720-A724 WeakPolarHBondContact O-CB 3.26Å; R720-A724 PolarHBondContact O-N 2.97Å; H721-A724 PolarHBondContact O-N 2.93Å; A724-Q727 PolarHBondContact O-N 3.25Å; A724-A728 WeakPolarHBondContact O-CB 3.35Å; A724-A728 PolarHBondContact O-N 2.84Å |
| 725 | Q | 94.8 | Very high | 87.4 | Confident | 111 Ų | 111 | 98.2 Ų | 98.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 175.2 | -170.7 | -179.4 | 24.1 | 0 | 0 | 112.2 | H721 K722 Q723 A728 L729 | H721-Q725 WeakPolarHBondContact O-CB 3.5Å; H721-Q725 PolarHBondContact O-N 3.21Å; K722-Q725 PolarHBondContact O-N 3.04Å; Q723-Q725 VanDerWaalsContact C-N 3.34Å; Q723-Q725 PolarHBondContact O-N 3.18Å; Q725-A728 PolarHBondContact O-N 3.43Å; Q725-L729 WeakPolarHBondContact O-CG 3.39Å; Q725-L729 PolarHBondContact O-N 2.94Å; Q725-L729 VanDerWaalsContact O-N 3.11Å |
| 726 | L | 95.6 | Very high | 89.6 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 61% | 0.613 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -42.9 | 174.7 | -72.9 | 169.9 | 0 | 0 | 0 | 111.6 | K722 Q723 A728 L729 E730 | K722-L726 WeakPolarHBondContact O-CG 3.39Å; K722-L726 PolarHBondContact O-N 2.92Å; Q723-L726 PolarHBondContact O-N 3.15Å; L726-A728 PolarHBondContact O-N 3.29Å; L726-L729 PolarHBondContact O-N 2.65Å; L726-E730 WeakPolarHBondContact O-CB 3.23Å; L726-E730 PolarHBondContact O-N 2.82Å |
| 727 | Q | 96.2 | Very high | 91.3 | Very high | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 177 | -174 | 175.2 | -10.6 | 0 | 0 | 111.9 | Q723 A724 E730 T731 | Q723-Q727 WeakPolarHBondContact O-CB 3.34Å; Q723-Q727 PolarHBondContact O-N 3.22Å; A724-Q727 PolarHBondContact O-N 3.25Å; Q727-E730 PolarHBondContact O-N 3.06Å; Q727-T731 WeakPolarHBondContact O-CG2 3.25Å; Q727-T731 PolarHBondContact O-N 2.89Å; Q727-T731 PolarHBondContact O-OG1 2.91Å |
| 728 | A | 93.4 | Very high | 92.5 | Very high | 53 Ų | 53 | 102.6 Ų | 102.6 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66 | -35.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A724 Q725 L726 T731 T732 | A724-A728 WeakPolarHBondContact O-CB 3.35Å; A724-A728 PolarHBondContact O-N 2.84Å; Q725-A728 PolarHBondContact O-N 3.43Å; L726-A728 PolarHBondContact O-N 3.29Å; A728-T731 PolarHBondContact O-OG1 3.39Å; A728-T731 VanDerWaalsContact O-OG1 3.13Å; A728-T732 WeakPolarHBondContact O-CB 3.32Å; A728-T732 PolarHBondContact O-N 2.97Å; A728-T732 VanDerWaalsContact O-N 3.11Å; A728-T732 PolarHBondContact O-OG1 3.2Å |
| 729 | L | 97.6 | Very high | 93.7 | Very high | 109 Ų | 109 | 105.1 Ų | 105.1 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -69.8 | -38.9 | 172.4 | -70.6 | 169.2 | 0 | 0 | 0 | 111.5 | Q725 L726 T732 A733 | Q725-L729 WeakPolarHBondContact O-CG 3.39Å; Q725-L729 PolarHBondContact O-N 2.94Å; Q725-L729 VanDerWaalsContact O-N 3.11Å; L726-L729 PolarHBondContact O-N 2.65Å; L729-T732 PolarHBondContact O-N 2.89Å; L729-A733 WeakPolarHBondContact O-CB 3.25Å; L729-A733 PolarHBondContact O-N 2.84Å |
| 730 | E | 96.4 | Very high | 94.5 | Very high | 106 Ų | 106 | 103.7 Ų | 103.7 | 50% | 0.495 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -44.4 | 177.6 | -165.8 | -167.5 | 142.8 | 0 | 0 | 112.3 | L726 Q727 A733 K734 | L726-E730 WeakPolarHBondContact O-CB 3.23Å; L726-E730 PolarHBondContact O-N 2.82Å; Q727-E730 PolarHBondContact O-N 3.06Å; E730-A733 PolarHBondContact O-N 3.35Å; E730-K734 WeakPolarHBondContact O-CG 3.44Å; E730-K734 PolarHBondContact O-N 2.74Å; E730-K734 WeakPolarHBondContact OE1-CE 3.22Å; E730-K734 IonicContact OE1-NZ 3.73Å; E730-K734 PolarHBondContact OE1-NZ 2.97Å |
| 731 | T | 94.9 | Very high | 95.1 | Very high | 72 Ų | 72 | 98.5 Ų | 98.5 | 44% | 0.442 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | Q727 A728 A733 K734 V735 | Q727-T731 WeakPolarHBondContact O-CG2 3.25Å; Q727-T731 PolarHBondContact O-N 2.89Å; Q727-T731 PolarHBondContact O-OG1 2.91Å; A728-T731 PolarHBondContact O-OG1 3.39Å; A728-T731 VanDerWaalsContact O-OG1 3.13Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.43Å; T731-K734 PolarHBondContact O-N 2.96Å; T731-V735 WeakPolarHBondContact O-CG2 3.33Å; T731-V735 PolarHBondContact O-N 3.29Å |
| 732 | T | 96 | Very high | 95.5 | Very high | 79 Ų | 79 | 96.5 Ų | 96.5 | 49% | 0.485 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -43.1 | 173.9 | -57.2 | 0 | 0 | 0 | 0 | 111.4 | A728 L729 V735 L736 | A728-T732 WeakPolarHBondContact O-CB 3.32Å; A728-T732 PolarHBondContact O-N 2.97Å; A728-T732 VanDerWaalsContact O-N 3.11Å; A728-T732 PolarHBondContact O-OG1 3.2Å; L729-T732 PolarHBondContact O-N 2.89Å; T732-V735 PolarHBondContact O-N 2.81Å; T732-L736 HydrophobicContact CG2-CD1 4.13Å; T732-L736 WeakPolarHBondContact O-CB 3.43Å; T732-L736 WeakPolarHBondContact O-CG 3.43Å; T732-L736 PolarHBondContact O-N 3.04Å |
| 733 | A | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 96.9 Ų | 96.9 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L729 E730 T731 L736 K737 | L729-A733 WeakPolarHBondContact O-CB 3.25Å; L729-A733 PolarHBondContact O-N 2.84Å; E730-A733 PolarHBondContact O-N 3.35Å; T731-A733 VanDerWaalsContact C-N 3.32Å; T731-A733 PolarHBondContact O-N 3.43Å; A733-L736 PolarHBondContact O-N 2.81Å; A733-K737 WeakPolarHBondContact O-CB 3.4Å; A733-K737 PolarHBondContact O-N 2.82Å |
| 734 | K | 96.5 | Very high | 95.9 | Very high | 116 Ų | 116 | 94.3 Ų | 94.3 | 50% | 0.504 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.7 | -74.3 | 172.4 | -178.5 | 172.6 | 0 | 112.1 | E730 T731 K737 Q738 | E730-K734 WeakPolarHBondContact O-CG 3.44Å; E730-K734 PolarHBondContact O-N 2.74Å; E730-K734 WeakPolarHBondContact OE1-CE 3.22Å; E730-K734 IonicContact OE1-NZ 3.73Å; E730-K734 PolarHBondContact OE1-NZ 2.97Å; T731-K734 PolarHBondContact O-N 2.96Å; K734-K737 WeakPolarHBondContact O-CB 3.47Å; K734-K737 PolarHBondContact O-N 3.29Å; K734-Q738 WeakPolarHBondContact O-CG 3.33Å; K734-Q738 PolarHBondContact O-N 3.34Å |
| 735 | V | 96.8 | Very high | 96 | Very high | 78 Ų | 78 | 94.5 Ų | 94.5 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.3 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | T731 T732 Q738 R739 | T731-V735 WeakPolarHBondContact O-CG2 3.33Å; T731-V735 PolarHBondContact O-N 3.29Å; T732-V735 PolarHBondContact O-N 2.81Å; V735-Q738 PolarHBondContact O-N 3.03Å; V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.28Å |
| 736 | L | 98 | Very high | 95.9 | Very high | 98 Ų | 98 | 96.8 Ų | 96.8 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 174.2 | -73.3 | 172.2 | 0 | 0 | 0 | 111.7 | T732 A733 R739 V740 | T732-L736 HydrophobicContact CG2-CD1 4.13Å; T732-L736 WeakPolarHBondContact O-CB 3.43Å; T732-L736 WeakPolarHBondContact O-CG 3.43Å; T732-L736 PolarHBondContact O-N 3.04Å; A733-L736 PolarHBondContact O-N 2.81Å; L736-R739 PolarHBondContact O-N 2.98Å; L736-V740 WeakPolarHBondContact O-CG2 3.37Å; L736-V740 PolarHBondContact O-N 3.34Å |
| 737 | K | 97.3 | Very high | 95.7 | Very high | 130 Ų | 130 | 97.2 Ų | 97.2 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -51.7 | 173.9 | -166.9 | -164.4 | 178.9 | -92.9 | 0 | 111.1 | A733 K734 R739 V740 D741 | A733-K737 WeakPolarHBondContact O-CB 3.4Å; A733-K737 PolarHBondContact O-N 2.82Å; K734-K737 WeakPolarHBondContact O-CB 3.47Å; K734-K737 PolarHBondContact O-N 3.29Å; K737-R739 VanDerWaalsContact C-N 3.26Å; K737-R739 PolarHBondContact O-N 3.25Å; K737-V740 PolarHBondContact O-N 3.16Å; K737-D741 IonicContact NZ-OD1 3.33Å; K737-D741 IonicContact NZ-OD2 3.32Å; K737-D741 PolarHBondContact NZ-OD2 2.82Å; K737-D741 WeakPolarHBondContact O-CB 3.39Å; K737-D741 PolarHBondContact O-N 3.3Å |
| 738 | Q | 97.3 | Very high | 95.2 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.2 | -38.1 | 178.8 | -73.9 | 175 | -53.5 | 0 | 0 | 112.4 | K734 V735 S742 | K734-Q738 WeakPolarHBondContact O-CG 3.33Å; K734-Q738 PolarHBondContact O-N 3.34Å; V735-Q738 PolarHBondContact O-N 3.03Å; Q738-S742 VanDerWaalsContact O-CB 3.24Å; Q738-S742 WeakPolarHBondContact O-CB 3.41Å; Q738-S742 PolarHBondContact O-N 3.11Å; Q738-S742 PolarHBondContact O-OG 2.98Å |
| 739 | R | 97.9 | Very high | 94.3 | Very high | 162 Ų | 162 | 96.8 Ų | 96.8 | 61% | 0.611 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.8 | -40.6 | 174.6 | -72 | -179.4 | 68.4 | 178.9 | 2.1 | 112.7 | V735 L736 K737 L743 | V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.28Å; L736-R739 PolarHBondContact O-N 2.98Å; K737-R739 VanDerWaalsContact C-N 3.26Å; K737-R739 PolarHBondContact O-N 3.25Å; R739-L743 WeakPolarHBondContact O-CB 3.43Å; R739-L743 VanDerWaalsContact O-CG 3.25Å; R739-L743 WeakPolarHBondContact O-CG 3.23Å; R739-L743 PolarHBondContact O-N 3.1Å |
| 740 | V | 97.5 | Very high | 92.6 | Very high | 87 Ų | 87 | 94.1 Ų | 94.1 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 174.9 | 170.3 | 0 | 0 | 0 | 0 | 111 | L736 K737 S742 L743 T744 | L736-V740 WeakPolarHBondContact O-CG2 3.37Å; L736-V740 PolarHBondContact O-N 3.34Å; K737-V740 PolarHBondContact O-N 3.16Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.49Å; V740-L743 PolarHBondContact O-N 2.92Å; V740-T744 WeakPolarHBondContact O-CB 3.43Å; V740-T744 PolarHBondContact O-N 3.27Å; V740-T744 PolarHBondContact O-OG1 3.06Å |
| 741 | D | 96.2 | Very high | 90.8 | Very high | 72 Ų | 72 | 96 Ų | 96 | 39% | 0.385 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 177.6 | -62.8 | -15.8 | 0 | 0 | 0 | 110.3 | K737 T744 A745 | K737-D741 IonicContact NZ-OD1 3.33Å; K737-D741 IonicContact NZ-OD2 3.32Å; K737-D741 PolarHBondContact NZ-OD2 2.82Å; K737-D741 WeakPolarHBondContact O-CB 3.39Å; K737-D741 PolarHBondContact O-N 3.3Å; D741-T744 PolarHBondContact O-N 3.05Å; D741-A745 WeakPolarHBondContact O-CB 3.46Å; D741-A745 PolarHBondContact O-N 2.85Å |
| 742 | S | 95 | Very high | 88.9 | Confident | 69 Ų | 69 | 95.7 Ų | 95.7 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.8 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | Q738 V740 K746 | Q738-S742 VanDerWaalsContact O-CB 3.24Å; Q738-S742 WeakPolarHBondContact O-CB 3.41Å; Q738-S742 PolarHBondContact O-N 3.11Å; Q738-S742 PolarHBondContact O-OG 2.98Å; V740-S742 VanDerWaalsContact C-N 3.34Å; V740-S742 PolarHBondContact O-N 3.49Å; S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 3.09Å; S742-K746 VanDerWaalsContact O-N 3.12Å |
| 743 | L | 95.4 | Very high | 87 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.9 | -37 | 175.7 | -73.8 | 169.3 | 0 | 0 | 0 | 111.4 | R739 V740 K746 L747 | R739-L743 WeakPolarHBondContact O-CB 3.43Å; R739-L743 VanDerWaalsContact O-CG 3.25Å; R739-L743 WeakPolarHBondContact O-CG 3.23Å; R739-L743 PolarHBondContact O-N 3.1Å; V740-L743 PolarHBondContact O-N 2.92Å; L743-K746 PolarHBondContact O-N 3.14Å; L743-L747 WeakPolarHBondContact O-CG 3.49Å; L743-L747 PolarHBondContact O-N 3.01Å |
| 744 | T | 94.2 | Very high | 85 | Confident | 61 Ų | 61 | 102.9 Ų | 102.9 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.4 | -45.9 | 175.6 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | V740 D741 K746 L747 Q748 | V740-T744 WeakPolarHBondContact O-CB 3.43Å; V740-T744 PolarHBondContact O-N 3.27Å; V740-T744 PolarHBondContact O-OG1 3.06Å; D741-T744 PolarHBondContact O-N 3.05Å; T744-K746 VanDerWaalsContact C-N 3.32Å; T744-K746 PolarHBondContact O-N 3.16Å; T744-L747 PolarHBondContact O-N 3.04Å; T744-Q748 WeakPolarHBondContact O-CG 3.4Å; T744-Q748 PolarHBondContact O-N 2.99Å |
| 745 | A | 92.2 | Very high | 82.9 | Confident | 59 Ų | 59 | 102.7 Ų | 102.7 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.6 | -37 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D741 G749 | D741-A745 WeakPolarHBondContact O-CB 3.46Å; D741-A745 PolarHBondContact O-N 2.85Å; A745-G749 PolarHBondContact O-N 2.87Å |
| 746 | K | 93 | Very high | 80.5 | Confident | 159 Ų | 159 | 105.3 Ų | 105.3 | 69% | 0.691 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.2 | -33.8 | 175.1 | -77.5 | -175.4 | 177.2 | -166.6 | 0 | 113.6 | S742 L743 T744 A750 | S742-K746 WeakPolarHBondContact O-CG 3.35Å; S742-K746 PolarHBondContact O-N 3.09Å; S742-K746 VanDerWaalsContact O-N 3.12Å; L743-K746 PolarHBondContact O-N 3.14Å; T744-K746 VanDerWaalsContact C-N 3.32Å; T744-K746 PolarHBondContact O-N 3.16Å; K746-A750 PolarHBondContact O-N 2.83Å |
| 747 | L | 90.5 | Very high | 77.8 | Confident | 126 Ų | 126 | 111.9 Ų | 111.9 | 66% | 0.66 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70 | -49.2 | 174.3 | -70.2 | 168 | 0 | 0 | 0 | 110.9 | L743 T744 G749 A750 E751 | L743-L747 WeakPolarHBondContact O-CG 3.49Å; L743-L747 PolarHBondContact O-N 3.01Å; T744-L747 PolarHBondContact O-N 3.04Å; L747-G749 VanDerWaalsContact C-N 3.31Å; L747-G749 PolarHBondContact O-N 3.36Å; L747-A750 PolarHBondContact O-N 2.88Å; L747-A750 VanDerWaalsContact O-N 3.16Å; L747-E751 PolarHBondContact O-N 3.07Å; L747-E751 VanDerWaalsContact O-N 3.09Å |
| 748 | Q | 87.1 | Confident | 74.9 | Confident | 124 Ų | 124 | 112.3 Ų | 112.3 | 58% | 0.579 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.8 | -35 | 177.8 | -69.7 | 175.4 | -26.5 | 0 | 0 | 112.6 | T744 A750 A752 | T744-Q748 WeakPolarHBondContact O-CG 3.4Å; T744-Q748 PolarHBondContact O-N 2.99Å; Q748-A750 VanDerWaalsContact C-N 3.35Å; Q748-A752 PolarHBondContact O-N 2.77Å |
| 749 | G | 73.7 | Confident | 72.4 | Confident | 41 Ų | 41 | 112.4 Ų | 112.4 | 42% | 0.423 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.4 | -24.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A745 L747 | A745-G749 PolarHBondContact O-N 2.87Å; L747-G749 VanDerWaalsContact C-N 3.31Å; L747-G749 PolarHBondContact O-N 3.36Å |
| 750 | A | 61.8 | Low | 69.8 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -77.5 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | K746 L747 Q748 A752 L753 | K746-A750 PolarHBondContact O-N 2.83Å; L747-A750 PolarHBondContact O-N 2.88Å; L747-A750 VanDerWaalsContact O-N 3.16Å; Q748-A750 VanDerWaalsContact C-N 3.35Å; A750-A752 PolarHBondContact O-N 3.35Å; A750-A752 VanDerWaalsContact O-N 3.12Å; A750-L753 PolarHBondContact O-N 2.88Å |
| 751 | E | 58.3 | Low | 67.4 | Low | 145 Ų | 145 | 111.2 Ų | 111.2 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -58.3 | -25.6 | 178.3 | -166 | 169.9 | -160.8 | 0 | 0 | 113 | L747 | L747-E751 PolarHBondContact O-N 3.07Å; L747-E751 VanDerWaalsContact O-N 3.09Å |
| 752 | A | 54.9 | Low | 64.5 | Low | 67 Ų | 67 | 111.3 Ų | 111.3 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -15.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q748 A750 | Q748-A752 PolarHBondContact O-N 2.77Å; A750-A752 PolarHBondContact O-N 3.35Å; A750-A752 VanDerWaalsContact O-N 3.12Å |
| 753 | L | 55.9 | Low | 62.1 | Low | 140 Ų | 140 | 115.4 Ų | 115.4 | 73% | 0.733 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -25.4 | -177.2 | -82.8 | 163 | 0 | 0 | 0 | 113.8 | A750 T755 | A750-L753 PolarHBondContact O-N 2.88Å; L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.8Å |
| 754 | D | 56 | Low | 59.4 | Low | 146 Ų | 146 | 117.7 Ų | 117.7 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 6.4 | -174.2 | -73.3 | -34.6 | 0 | 0 | 0 | 114.7 | | |
| 755 | T | 52.5 | Low | 56.7 | Low | 112 Ų | 112 | 126.7 Ų | 126.7 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -4.3 | -173.5 | 46.1 | 0 | 0 | 0 | 0 | 116.1 | L753 R757 | L753-T755 VanDerWaalsContact C-N 3.32Å; L753-T755 PolarHBondContact O-N 2.8Å; T755-R757 PolarHBondContact O-N 3.09Å |
| 756 | V | 46.3 | Very low | 54 | Low | 134 Ų | 134 | 128.8 Ų | 128.8 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | | | trans | -100.1 | 75.4 | 177.1 | -171.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 757 | R | 41.6 | Very low | 51 | Low | 235 Ų | 235 | 126.6 Ų | 126.6 | 89% | 0.887 | 72% | 0.719 | S | S | * | * | | | trans | -98.1 | 80.2 | 175.6 | -168.3 | -165.2 | 92.6 | 170.8 | 7.6 | 112 | T755 | T755-R757 PolarHBondContact O-N 3.09Š|
| 758 | D | 36 | Very low | 48.5 | Very low | 140 Ų | 140 | 126.1 Ų | 126.1 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | | | trans | -142.3 | 109 | 162.3 | -161.9 | 0.5 | 0 | 0 | 0 | 111.9 | | |
| 759 | P | 44.1 | Very low | 45.8 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | trans | -105.8 | 62.8 | -170.5 | 39.8 | -34.1 | 0 | 0 | 0 | 113.7 | | |
| 760 | A | 43.3 | Very low | 44 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -151.2 | 158.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 761 | V | 47.4 | Very low | 42.7 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | | | trans | 63.3 | 67.7 | 164.2 | -156.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 762 | G | 35.9 | Very low | 41.8 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 78% | 0.777 | S | S | * | * | | | | 89.9 | -171.9 | 117.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 763 | L | 43.5 | Very low | 40.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 79% | 0.787 | S | S | * | * | | | trans | 65.6 | 82.3 | 174.9 | -59.7 | 176.2 | 0 | 0 | 0 | 118.7 | | |
| 764 | L | 38.7 | Very low | 39.6 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | | 54 | 88.4 | 125.1 | -61.2 | 169.9 | 0 | 0 | 0 | 118.8 | | |
| 765 | R | 37.3 | Very low | 39.1 | Very low | 249 Ų | 249 | 134.3 Ų | 134.3 | 94% | 0.94 | 79% | 0.79 | S | S | * | * | | | | -149.5 | 112.5 | 120.9 | -151.1 | 150.4 | 73 | 168.8 | 3.3 | 113.1 | | |
| 766 | S | 37.1 | Very low | 38.1 | Very low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -68.5 | 147.3 | -178.4 | -45.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 767 | C | 28.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 136.5 Ų | 136.5 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | -64.9 | 149.1 | 164.3 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 768 | P | 37.3 | Very low | 37.3 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -110.9 | 87.2 | 148.8 | 34.3 | -26.2 | 0 | 0 | 0 | 110.3 | S770 | P768-S770 PolarHBondContact O-N 2.94Å; P768-S770 VanDerWaalsContact O-N 3.11Å |
| 769 | H | 32.4 | Very low | 37.1 | Very low | 198 Ų | 198 | 129.7 Ų | 129.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | | | trans | -74.8 | 85.3 | 147.8 | -86.2 | -57.7 | 0 | 0 | 0 | 107.1 | | |
| 770 | S | 34.6 | Very low | 36.8 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -152.9 | 143.5 | 172.2 | -171 | 0 | 0 | 0 | 0 | 109.7 | P768 P772 | P768-S770 PolarHBondContact O-N 2.94Å; P768-S770 VanDerWaalsContact O-N 3.11Å; S770-P772 WeakPolarHBondContact O-CD 3.3Å |
| 771 | L | 34.3 | Very low | 36.2 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | | | trans | -70.4 | 118.8 | 167.5 | -70.8 | 160.6 | 0 | 0 | 0 | 108.2 | A773 | L771-A773 PolarHBondContact O-N 3.46Å; L771-A773 VanDerWaalsContact O-N 3.14Å |
| 772 | P | 40.2 | Very low | 35.6 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -74.7 | 105.2 | 170.5 | 30.2 | -31 | 0 | 0 | 0 | 108.9 | S770 | S770-P772 WeakPolarHBondContact O-CD 3.3Š|
| 773 | A | 33.5 | Very low | 35.6 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 143.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L771 | L771-A773 PolarHBondContact O-N 3.46Å; L771-A773 VanDerWaalsContact O-N 3.14Å |
| 774 | A | 31.6 | Very low | 35.2 | Very low | 88 Ų | 88 | 131.6 Ų | 131.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 126.5 | -172 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 775 | P | 44.9 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.1 Ų | 130.1 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 132.4 | 166 | 30.4 | -32.2 | 0 | 0 | 0 | 109.5 | | |
| 776 | T | 31.7 | Very low | 35 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 170.5 | 178.6 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 777 | L | 34.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 123.8 Ų | 123.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | | | trans | 89.8 | 87.5 | 167 | -54.9 | 166.5 | 0 | 0 | 0 | 117.3 | | |
| 778 | A | 35.1 | Very low | 35.2 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | | -175.1 | 88.1 | 123.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 779 | T | 32.1 | Very low | 35.3 | Very low | 131 Ų | 131 | 123 Ų | 123 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -120 | 136.8 | 170.4 | 28.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 780 | P | 38.6 | Very low | 35.3 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -71.2 | 120.9 | 137.6 | 30.8 | -26.7 | 0 | 0 | 0 | 107.5 | | |
| 781 | T | 31.3 | Very low | 35.6 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | | | | 62.8 | 94.7 | 86.2 | -53 | 0 | 0 | 0 | 0 | 109.5 | | |
| 782 | L | 34.2 | Very low | 36.2 | Very low | 161 Ų | 161 | 117.5 Ų | 117.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | cis | -137.6 | -173.3 | 14.5 | -95.5 | 164.7 | 0 | 0 | 0 | 109.8 | | |
| 783 | A | 35.4 | Very low | 36.7 | Very low | 88 Ų | 88 | 118 Ų | 118 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | cis | -152.2 | -146.6 | 24.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 784 | T | 35.1 | Very low | 37 | Very low | 133 Ų | 133 | 119 Ų | 119 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | | | trans | -104.6 | 166.2 | -163.6 | 27.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 785 | P | 37.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | | -139.1 | -147.9 | -128.6 | 46.1 | -27.7 | 0 | 0 | 0 | 116.1 | | |
| 786 | A | 34.1 | Very low | 37 | Very low | 93 Ų | 93 | 122.8 Ų | 122.8 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | 90.9 | 147.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 787 | C | 31.2 | Very low | 37.4 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | cis | -137.7 | 168.6 | 16.4 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 788 | P | 40 | Very low | 37.5 | Very low | 130 Ų | 130 | 124.7 Ų | 124.7 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | | | trans | -133.4 | 145.3 | 166.7 | 38.3 | -23.5 | 0 | 0 | 0 | 117.2 | | |
| 789 | G | 37.5 | Very low | 37.6 | Very low | 83 Ų | 83 | 124.5 Ų | 124.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | | | trans | 83.3 | 160.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 790 | A | 33.7 | Very low | 38.1 | Very low | 89 Ų | 89 | 124.7 Ų | 124.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | cis | -166.4 | 173.4 | -13.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 791 | L | 41 | Very low | 38.4 | Very low | 182 Ų | 182 | 123 Ų | 123 | 95% | 0.953 | 81% | 0.806 | S | S | * | * | | | trans | 70.1 | 149 | 176.8 | -43.8 | 170.4 | 0 | 0 | 0 | 114.6 | | |
| 792 | G | 47.1 | Very low | 38.4 | Very low | 71 Ų | 71 | 125.9 Ų | 125.9 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | cis | -167.9 | 168.4 | -7.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 793 | P | 49.5 | Very low | 38.6 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -104.1 | 168.3 | -169.4 | 39.4 | -35.7 | 0 | 0 | 0 | 115.3 | | |
| 794 | N | 39.7 | Very low | 38.7 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 62% | 0.62 | 82% | 0.817 | S | S | * | * | | | | 158.6 | 158.1 | 127.6 | -161.7 | 4.5 | 0 | 0 | 0 | 113 | | |
| 795 | W | 38.9 | Very low | 38.7 | Very low | 228 Ų | 228 | 129.8 Ų | 129.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | 67.7 | 144.3 | 171.2 | -44.3 | 107.6 | 0 | 0 | 0 | 118.6 | | |
| 796 | G | 38.6 | Very low | 38.8 | Very low | 66 Ų | 66 | 132.3 Ų | 132.3 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | | | cis | 147.9 | 114 | -16.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 797 | R | 39.8 | Very low | 38.8 | Very low | 254 Ų | 254 | 136 Ų | 136 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | | | trans | 66 | 110.8 | 157.5 | -170.3 | -169.3 | -59 | -87.2 | -0.2 | 118.5 | | |
| 798 | G | 37.2 | Very low | 39.1 | Very low | 78 Ų | 78 | 135.4 Ų | 135.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -168.1 | 139 | 161.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 799 | A | 37 | Very low | 39.1 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | -157.4 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 800 | P | 42.2 | Very low | 39.2 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | | | | -113.1 | 168.6 | -72.1 | 37.6 | -27.9 | 0 | 0 | 0 | 111.9 | | |
| 801 | G | 44.6 | Very low | 39.6 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -133.4 | 148.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 802 | E | 32.7 | Very low | 39.5 | Very low | 184 Ų | 184 | 141.5 Ų | 141.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | | | trans | -84.3 | -161.6 | -177.4 | -62.2 | 178.4 | 92.3 | 0 | 0 | 113.2 | | |
| 803 | W | 37 | Very low | 39.1 | Very low | 239 Ų | 239 | 143.5 Ų | 143.5 | 91% | 0.905 | 80% | 0.803 | S | S | * | * | | | trans | 111.4 | 60.9 | 170.2 | -64.2 | 93.2 | 0 | 0 | 0 | 117.6 | | |
| 804 | V | 37.4 | Very low | 38.6 | Very low | 131 Ų | 131 | 142.5 Ų | 142.5 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | | 37.1 | 129.3 | 128.4 | -179.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 805 | S | 36.4 | Very low | 38.2 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | | | trans | 74.9 | 99.4 | 155.2 | 180 | 0 | 0 | 0 | 0 | 119.5 | | |
| 806 | M | 39.3 | Very low | 38.1 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | | -148.3 | 157.3 | 122.8 | -90.6 | -47.9 | 150.7 | 0 | 0 | 112.5 | | |
| 807 | Q | 34.4 | Very low | 38 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | | | trans | -35.8 | 137.9 | -175.8 | -72.3 | -77.8 | 12.7 | 0 | 0 | 118.6 | | |
| 808 | P | 36.4 | Very low | 38.1 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -84 | 127.7 | 165.3 | 33.2 | -31.4 | 0 | 0 | 0 | 112.7 | | |
| 809 | Q | 41.1 | Very low | 38.2 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | | | trans | -72.5 | 141.5 | 167.6 | -82.2 | -170.9 | -16.1 | 0 | 0 | 111.9 | L811 | Q809-L811 PolarHBondContact O-N 3.16Š|
| 810 | P | 38.8 | Very low | 38.2 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -76 | 101.5 | 166.6 | -9.5 | 26.4 | 0 | 0 | 0 | 110.8 | | |
| 811 | L | 42 | Very low | 37.9 | Very low | 149 Ų | 149 | 150 Ų | 150 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 127 | 171.2 | -71 | 173.7 | 0 | 0 | 0 | 110.9 | Q809 | Q809-L811 PolarHBondContact O-N 3.16Š|
| 812 | L | 38.9 | Very low | 37.6 | Very low | 166 Ų | 166 | 152.3 Ų | 152.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 128.8 | 178.5 | -67.8 | 166.9 | 0 | 0 | 0 | 111.6 | | |
| 813 | P | 39.4 | Very low | 37.8 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 149.8 | 166.2 | -20 | 34.3 | 0 | 0 | 0 | 112.3 | | |
| 814 | P | 39.2 | Very low | 37.6 | Very low | 109 Ų | 109 | 145.5 Ų | 145.5 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 161.5 | -160.8 | 35 | -37.9 | 0 | 0 | 0 | 115.4 | Y816 | P814-Y816 HydrophobicContact CB-CD2 4.15Å; P814-Y816 HydrophobicContact CB-CE2 3.97Å |
| 815 | T | 31 | Very low | 37.6 | Very low | 136 Ų | 136 | 151.2 Ų | 151.2 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | | | trans | -112.1 | 110.7 | 175.5 | -49.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 816 | Y | 36.5 | Very low | 37.6 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 74% | 0.737 | 81% | 0.81 | S | S | * | * | | | trans | -144.3 | 149.3 | 167.3 | -62.2 | -81.2 | 0 | 0 | 0 | 107.2 | P814 | P814-Y816 HydrophobicContact CB-CD2 4.15Å; P814-Y816 HydrophobicContact CB-CE2 3.97Å |
| 817 | F | 36.5 | Very low | 37.6 | Very low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.873 | 81% | 0.809 | S | S | * | * | | | cis | -129.3 | 159 | 17.9 | -74.8 | -101.1 | 0 | 0 | 0 | 112.8 | | |
| 818 | L | 41.8 | Very low | 37.4 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -116.5 | 127.8 | 164 | -98.1 | 167.1 | 0 | 0 | 0 | 108.5 | | |
| 819 | D | 39.1 | Very low | 37.6 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 90% | 0.898 | 81% | 0.814 | S | S | * | * | | | trans | -163.8 | 131.8 | 163 | -157.3 | 25.9 | 0 | 0 | 0 | 107.9 | | |
| 820 | G | 36.8 | Very low | 37.4 | Very low | 64 Ų | 64 | 150 Ų | 150 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | cis | 175.9 | 99.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 821 | E | 37.6 | Very low | 37.4 | Very low | 199 Ų | 199 | 151.1 Ų | 151.1 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | | | trans | -155.6 | 138.4 | 165.5 | -133.4 | 172.7 | -159.2 | 0 | 0 | 111.3 | | |
| 822 | T | 36.6 | Very low | 37.3 | Very low | 127 Ų | 127 | 153.2 Ų | 153.2 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | | | trans | -106.8 | 109.4 | -160.9 | -51.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 823 | L | 38.4 | Very low | 37.1 | Very low | 172 Ų | 172 | 152.3 Ų | 152.3 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -136.5 | 116.1 | 157.2 | -75.2 | 179.2 | 0 | 0 | 0 | 110.4 | | |
| 824 | S | 31.2 | Very low | 36.7 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -91.6 | 107.9 | -169.7 | 35.4 | 0 | 0 | 0 | 0 | 113 | | |
| 825 | W | 38.9 | Very low | 36.6 | Very low | 251 Ų | 251 | 153.5 Ų | 153.5 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | | | trans | -135.8 | 93.1 | 164.5 | -83.6 | 88.5 | 0 | 0 | 0 | 110.4 | | |
| 826 | G | 35.8 | Very low | 36.7 | Very low | 65 Ų | 65 | 152.2 Ų | 152.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | -89.1 | 151.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 827 | P | 38.6 | Very low | 36.7 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -79 | 140.1 | -178.4 | 32 | -34.3 | 0 | 0 | 0 | 112.4 | | |
| 828 | S | 31.6 | Very low | 36.6 | Very low | 112 Ų | 112 | 151.1 Ų | 151.1 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | trans | -143.4 | 117.9 | 169 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 829 | W | 39.1 | Very low | 36.3 | Very low | 226 Ų | 226 | 146.8 Ų | 146.8 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -154 | 4.3 | 166.5 | 59.5 | -88.8 | 0 | 0 | 0 | 114.2 | | |
| 830 | E | 38.6 | Very low | 36.2 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | -101.2 | 157.6 | 166.9 | -64.9 | -179.4 | 122.7 | 0 | 0 | 109.7 | | |
| 831 | Q | 37.9 | Very low | 36 | Very low | 155 Ų | 155 | 148.4 Ų | 148.4 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | 76.6 | 72.7 | -176.7 | -156.5 | 175.7 | 22 | 0 | 0 | 117.4 | Q833 | Q831-Q833 HydrophobicContact CG-CG 4.41Š|
| 832 | Q | 39.4 | Very low | 35.9 | Very low | 194 Ų | 194 | 146.8 Ų | 146.8 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | -124 | 141.2 | 142 | -88.8 | -67.5 | -59.7 | 0 | 0 | 108.2 | | |
| 833 | Q | 35.4 | Very low | 35.8 | Very low | 146 Ų | 146 | 146.9 Ų | 146.9 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -126.6 | 142.7 | -160.3 | -68.2 | 178.6 | -36.1 | 0 | 0 | 114.2 | Q831 | Q831-Q833 HydrophobicContact CG-CG 4.41Š|
| 834 | S | 30.7 | Very low | 35.8 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | 71.8 | 170.5 | 144.4 | 75.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 835 | V | 36.9 | Very low | 36.3 | Very low | 139 Ų | 139 | 149.3 Ų | 149.3 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | 74 | 120.5 | 178.8 | -171.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 836 | S | 32.5 | Very low | 36 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | | | cis | -156.7 | 155.4 | 0.3 | -167.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 837 | P | 37.4 | Very low | 35.9 | Very low | 115 Ų | 115 | 149 Ų | 149 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | | | trans | -114.4 | 155.2 | -176.6 | 40 | -32.1 | 0 | 0 | 0 | 116.9 | | |
| 838 | R | 35.3 | Very low | 35.5 | Very low | 249 Ų | 249 | 152.9 Ų | 152.9 | 94% | 0.94 | 80% | 0.798 | S | S | * | * | | | trans | -169.1 | 122.9 | 154.7 | -105.6 | 167.2 | -162.3 | -152.4 | 2.2 | 109.2 | | |
| 839 | A | 34.9 | Very low | 36.3 | Very low | 85 Ų | 85 | 152.5 Ų | 152.5 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | | | | 79.8 | 140.8 | 92.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 840 | H | 37.1 | Very low | 36.3 | Very low | 171 Ų | 171 | 150 Ų | 150 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | cis | -157.5 | 154.6 | 7.2 | -124.1 | -62.3 | 0 | 0 | 0 | 110.9 | | |
| 841 | C | 33.2 | Very low | 36.2 | Very low | 94 Ų | 94 | 151.6 Ų | 151.6 | 64% | 0.635 | 80% | 0.798 | S | S | * | * | | | trans | 49.1 | 157.9 | 150.4 | -68.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 842 | E | 33.5 | Very low | 36.3 | Very low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 80% | 0.804 | S | S | * | * | | | cis | 152.1 | 134.1 | -21.5 | -103.6 | -173.8 | 116.2 | 0 | 0 | 107.6 | | |
| 843 | S | 36.2 | Very low | 36.1 | Very low | 130 Ų | 130 | 146.8 Ų | 146.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | 178.2 | 165.5 | 146.6 | 31.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 844 | K | 36.7 | Very low | 36.3 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -118.9 | 162.1 | -157.1 | -81.1 | 175 | 175.8 | 168.9 | 0 | 115.9 | | |
| 845 | P | 42.5 | Very low | 36.4 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -102.4 | 167.8 | -177 | 39.9 | -37.1 | 0 | 0 | 0 | 116.6 | | |
| 846 | R | 33.1 | Very low | 36.3 | Very low | 252 Ų | 252 | 145.1 Ų | 145.1 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | | | trans | -164.5 | 154.9 | 163.2 | -169.9 | 161.2 | -70.9 | -146 | -2.1 | 108.1 | | |
| 847 | G | 33.5 | Very low | 36.4 | Very low | 59 Ų | 59 | 149 Ų | 149 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | cis | -171.1 | -146.4 | 1.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 848 | F | 30.7 | Very low | 36.4 | Very low | 210 Ų | 210 | 148.5 Ų | 148.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -147.3 | 179.8 | -176.9 | -92.4 | -81.5 | 0 | 0 | 0 | 108.1 | | |
| 849 | P | 48.2 | Very low | 36.6 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | cis | -146.2 | -178.2 | 21.3 | 44.1 | -22.7 | 0 | 0 | 0 | 119.3 | | |
| 850 | E | 37.7 | Very low | 36.5 | Very low | 175 Ų | 175 | 146.9 Ų | 146.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 79.6 | 165 | 134.8 | -101.8 | 169.4 | 133.6 | 0 | 0 | 127.5 | | |
| 851 | E | 38.2 | Very low | 36.4 | Very low | 195 Ų | 195 | 149.3 Ų | 149.3 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | 74.1 | 131.6 | 167.7 | -69.3 | -178.9 | 137.1 | 0 | 0 | 121.7 | | |
| 852 | G | 38.3 | Very low | 36.5 | Very low | 82 Ų | 82 | 152.3 Ų | 152.3 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | 151.2 | 59.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 853 | H | 35.1 | Very low | 36.4 | Very low | 165 Ų | 165 | 152.7 Ų | 152.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | -86.4 | 162.9 | 179.7 | -167.1 | -101.9 | 0 | 0 | 0 | 113.1 | | |
| 854 | V | 40.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 157.9 Ų | 157.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 163.5 | 134.9 | 138.1 | 156.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 855 | D | 33.4 | Very low | 36 | Very low | 120 Ų | 120 | 151.8 Ų | 151.8 | 64% | 0.642 | 78% | 0.784 | S | S | * | * | | | trans | 0.8 | 138 | 165.4 | -61.5 | -56.8 | 0 | 0 | 0 | 122.6 | | |
| 856 | V | 33.9 | Very low | 35.5 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | | | cis | 85.7 | 111.4 | 42.7 | 174 | 0 | 0 | 0 | 0 | 115 | | |
| 857 | K | 35.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 144.8 Ų | 144.8 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -170.1 | 120.9 | 130.1 | -119.6 | 178.7 | 179.4 | 176.7 | 0 | 115.3 | | |
| 858 | P | 36.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | | | trans | -127.6 | 125.6 | 161.9 | 35.2 | -20.8 | 0 | 0 | 0 | 113.8 | | |
| 859 | D | 38.5 | Very low | 36.5 | Very low | 125 Ų | 125 | 147 Ų | 147 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | | | trans | -121.5 | 133.8 | 165.2 | -88.4 | -62.7 | 0 | 0 | 0 | 108.5 | | |
| 860 | K | 33 | Very low | 35.8 | Very low | 174 Ų | 174 | 150.5 Ų | 150.5 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | | | cis | 78 | 96.8 | 37 | -62.9 | -177.1 | 175.1 | 177.7 | 0 | 115.5 | | |
| 861 | R | 36 | Very low | 35.5 | Very low | 223 Ų | 223 | 146 Ų | 146 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | | | trans | 166.9 | 119.2 | 133.2 | -85.1 | 147.6 | -153.1 | -101.1 | 4.5 | 107.5 | | |
| 862 | L | 34 | Very low | 35.6 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | | | | 62.8 | 107.2 | 65.2 | -64.4 | 172.3 | 0 | 0 | 0 | 113.5 | | |
| 863 | Q | 32.6 | Very low | 35.3 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | | 173.2 | 139.1 | 103.1 | -90.5 | -172.6 | 33.6 | 0 | 0 | 115.1 | | |
| 864 | R | 30.1 | Very low | 35.8 | Very low | 239 Ų | 239 | 142.7 Ų | 142.7 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | | | trans | 52.6 | 123.9 | 134.4 | -172.9 | 179.5 | -82.1 | -142.2 | -3.4 | 121.1 | | |
| 865 | G | 33.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 142.2 Ų | 142.2 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | | | trans | -179.5 | 109.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 866 | V | 32.4 | Very low | 36.1 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | trans | -113.3 | 158.9 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 867 | A | 35 | Very low | 36.5 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -65.3 | -169.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 868 | P | 48.4 | Very low | 36.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | | | cis | -134.4 | -167.3 | -2.3 | 43.8 | -26.7 | 0 | 0 | 0 | 113.6 | | |
| 869 | F | 34.4 | Very low | 36.7 | Very low | 215 Ų | 215 | 135.1 Ų | 135.1 | 94% | 0.943 | 78% | 0.779 | S | S | * | * | | | trans | -151.4 | 156.8 | 145.3 | -99.5 | -66.2 | 0 | 0 | 0 | 111.9 | | |
| 870 | Q | 33.9 | Very low | 37 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 83% | 0.827 | 79% | 0.788 | S | S | * | * | | | trans | -124.6 | 168.7 | -173.2 | -56.2 | -178.3 | 17.4 | 0 | 0 | 112.9 | | |
| 871 | A | 32 | Very low | 37.5 | Very low | 80 Ų | 80 | 136.2 Ų | 136.2 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | 102.8 | 148.4 | 130.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 872 | L | 39.8 | Very low | 38 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | 71.2 | 141.8 | 164.3 | -47.5 | -176.6 | 0 | 0 | 0 | 117.4 | | |
| 873 | S | 32.5 | Very low | 38.3 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | cis | -178.5 | -177.5 | -18 | -102.2 | 0 | 0 | 0 | 0 | 108 | | |
| 874 | P | 46.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | | -134.2 | -163.5 | -56.4 | 38.8 | -19.9 | 0 | 0 | 0 | 113 | | |
| 875 | S | 36.5 | Very low | 39.1 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 96.3 | 112.2 | 146.3 | -67.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 876 | A | 42.8 | Very low | 39.5 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 88% | 0.884 | 79% | 0.794 | S | S | * | * | | | | 100.2 | 134.9 | 119.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 877 | G | 42.8 | Very low | 39.7 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | 103.5 | 98 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 878 | S | 38.8 | Very low | 39.8 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | cis | 79.3 | 128 | 48.7 | -164.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 879 | S | 38.5 | Very low | 39.6 | Very low | 85 Ų | 85 | 127.9 Ų | 127.9 | 59% | 0.594 | 79% | 0.793 | S | S | * | * | | | cis | -172.5 | -177.3 | -9 | 41.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 880 | Y | 43.6 | Very low | 39.6 | Very low | 218 Ų | 218 | 129.5 Ų | 129.5 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | 92.3 | 101.2 | 161.1 | -68.6 | -74.6 | 0 | 0 | 0 | 123.4 | | |
| 881 | A | 43 | Very low | 39.6 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | | 86.3 | 132 | 117.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | | |
| 882 | G | 46.3 | Very low | 39.7 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 130.2 | 92.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 883 | P | 41.7 | Very low | 39.7 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | | | trans | -103.9 | 156.2 | -178.5 | 38.2 | -32.8 | 0 | 0 | 0 | 115 | | |
| 884 | A | 40.5 | Very low | 40.1 | Very low | 104 Ų | 104 | 125 Ų | 125 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -151.2 | 150.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 885 | T | 38.5 | Very low | 40 | Very low | 129 Ų | 129 | 127 Ų | 127 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | trans | -112.7 | 151.6 | -158.7 | -34.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 886 | L | 41.9 | Very low | 40.2 | Very low | 163 Ų | 163 | 130 Ų | 130 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | | -179.4 | 138.3 | 123.2 | -95.1 | 167.6 | 0 | 0 | 0 | 114.2 | | |
| 887 | H | 35.7 | Very low | 40 | Very low | 143 Ų | 143 | 133.4 Ų | 133.4 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | | | trans | -22.1 | 153.3 | 176.5 | -94.6 | -76.9 | 0 | 0 | 0 | 122.5 | I889 | H887-I889 HydrophobicContact CB-CG1 4.3Š|
| 888 | P | 37.5 | Very low | 40.1 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | | -108.2 | 156.2 | 111.8 | 34.7 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 889 | I | 45.4 | Very low | 40.5 | Very low | 154 Ų | 154 | 136 Ų | 136 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -105 | 151.8 | -178 | -67.9 | 174.6 | 0 | 0 | 0 | 110.9 | H887 | H887-I889 HydrophobicContact CB-CG1 4.3Š|
| 890 | W | 32.9 | Very low | 40.6 | Very low | 249 Ų | 249 | 137.8 Ų | 137.8 | 94% | 0.943 | 81% | 0.806 | S | S | * | * | | | trans | -140.2 | 133 | -172 | -170.9 | -54.7 | 0 | 0 | 0 | 110.6 | | |
| 891 | G | 34 | Very low | 40.2 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 81% | 0.807 | S | S | * | * | | | trans | 104.2 | 140.3 | 144.5 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 892 | S | 33.9 | Very low | 40.2 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | | 96.7 | 112.2 | 124.5 | -54.8 | 0 | 0 | 0 | 0 | 121 | | |
| 893 | L | 40.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 98% | 0.979 | 80% | 0.8 | S | S | * | * | | | trans | 173.6 | 134.5 | 147.1 | -96 | 158.3 | 0 | 0 | 0 | 106.9 | | |
| 894 | G | 41.8 | Very low | 39.9 | Very low | 58 Ų | 58 | 130.7 Ų | 130.7 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | | | cis | -180 | 170.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 895 | L | 43.3 | Very low | 39.7 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | 70.6 | 123.1 | 178.2 | -75.3 | 81.9 | 0 | 0 | 0 | 115.7 | | |
| 896 | E | 40.4 | Very low | 39.5 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | | 79.3 | 139.5 | 82.4 | -97.5 | 178.8 | 148 | 0 | 0 | 113.2 | | |
| 897 | E | 40.4 | Very low | 39.4 | Very low | 179 Ų | 179 | 130 Ų | 130 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | cis | -136.6 | -169.2 | 29 | -146.6 | -176.8 | 147.3 | 0 | 0 | 114.1 | | |
| 898 | T | 43.6 | Very low | 39.4 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -99.6 | 166.6 | -157.8 | 30.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 899 | P | 47.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -104.7 | -173.8 | -168.9 | 42.5 | -37.9 | 0 | 0 | 0 | 115.7 | | |
| 900 | S | 39.7 | Very low | 39.3 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -135.6 | 165.4 | 168.6 | -167.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 901 | V | 36.4 | Very low | 39.4 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -142.1 | 149 | -155.6 | 170.1 | 0 | 0 | 0 | 0 | 113 | | |
| 902 | G | 42.4 | Very low | 40 | Very low | 72 Ų | 72 | 124.2 Ų | 124.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | trans | 171.8 | 126.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 903 | G | 43.2 | Very low | 40.1 | Very low | 75 Ų | 75 | 129.8 Ų | 129.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 78 | 131 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 904 | A | 37.5 | Very low | 39.7 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | | | cis | 61.2 | 134.4 | 16.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 905 | D | 37.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | cis | -165.2 | 176 | 2.3 | -132.7 | -28.1 | 0 | 0 | 0 | 108.5 | | |
| 906 | S | 34.9 | Very low | 38.9 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | | | cis | -163.5 | -161.3 | -1.5 | -151.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 907 | V | 38.7 | Very low | 38.5 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | | | trans | 81.6 | 136 | 161.1 | -169.3 | 0 | 0 | 0 | 0 | 118.4 | | |
| 908 | A | 35.7 | Very low | 38.3 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -135.7 | -135.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 909 | P | 45.6 | Very low | 38.2 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | | -122.1 | 169.3 | -119.9 | 39.5 | -23.5 | 0 | 0 | 0 | 116.1 | | |
| 910 | C | 35.4 | Very low | 37.9 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | -161.2 | 150.9 | 152.5 | -105.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 911 | T | 36 | Very low | 37.7 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -127.7 | 129.8 | 171.1 | 53.1 | 0 | 0 | 0 | 0 | 111 | | |
| 912 | P | 45 | Very low | 37.8 | Very low | 133 Ų | 133 | 121.8 Ų | 121.8 | 86% | 0.864 | 79% | 0.792 | S | S | * | * | | | trans | -82.6 | 175.6 | 161.7 | 33.7 | -31.6 | 0 | 0 | 0 | 111.6 | | |
| 913 | R | 35.8 | Very low | 37.9 | Very low | 235 Ų | 235 | 129 Ų | 129 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | trans | -139.1 | 152.9 | -154.4 | -169.6 | -163.8 | 178.8 | -168.4 | 2.1 | 113 | | |
| 914 | S | 32.2 | Very low | 37.9 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | | | trans | 86.2 | 147.7 | 150.9 | 82.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 915 | C | 35.3 | Very low | 38 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | | | trans | 57.3 | 136.8 | 150.8 | -62 | 0 | 0 | 0 | 0 | 120.8 | | |
| 916 | G | 33.6 | Very low | 38.1 | Very low | 68 Ų | 68 | 135.9 Ų | 135.9 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | | | cis | 148 | 145.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 917 | K | 32.5 | Very low | 38.4 | Very low | 226 Ų | 226 | 134.9 Ų | 134.9 | 98% | 0.983 | 81% | 0.807 | S | S | * | * | | | trans | 65.1 | 137.2 | -179.8 | -66.5 | 174.5 | 173.1 | 175 | 0 | 115.9 | | |
| 918 | G | 36 | Very low | 38.5 | Very low | 84 Ų | 84 | 140.1 Ų | 140.1 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | 157.7 | 52.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 919 | D | 40.1 | Very low | 38.8 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | trans | -90.3 | 157 | 155.7 | -150.1 | 37.5 | 0 | 0 | 0 | 106.3 | | |
| 920 | P | 43.3 | Very low | 38.6 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | | | cis | -143.5 | -174.3 | 22.9 | 44.9 | -26.3 | 0 | 0 | 0 | 117.1 | | |
| 921 | A | 35.3 | Very low | 38.9 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 81% | 0.813 | S | S | * | * | | | trans | 70.1 | 149.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 922 | D | 36.9 | Very low | 39.2 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 82% | 0.821 | S | S | * | * | | | cis | -151.8 | 170 | 44.6 | -133.8 | -27.4 | 0 | 0 | 0 | 117.6 | | |
| 923 | R | 44.6 | Very low | 39 | Very low | 224 Ų | 224 | 140 Ų | 140 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | -42.2 | 174.2 | -171.4 | -85 | 172.9 | 170.2 | -103.9 | -2.6 | 122.9 | | |
| 924 | P | 44.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | -103.3 | 172.3 | -165.7 | 41.4 | -36.6 | 0 | 0 | 0 | 115.1 | | |
| 925 | W | 39.4 | Very low | 39.6 | Very low | 257 Ų | 257 | 139.2 Ų | 139.2 | 97% | 0.973 | 82% | 0.815 | S | S | * | * | | | trans | -93.6 | 156.8 | 167.1 | -87 | 83.2 | 0 | 0 | 0 | 113.3 | | |
| 926 | A | 39.8 | Very low | 39.9 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | | | trans | -149.1 | 158.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 927 | G | 41.8 | Very low | 40.3 | Very low | 71 Ų | 71 | 144.7 Ų | 144.7 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | 171.5 | 153.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 928 | W | 40.3 | Very low | 40.6 | Very low | 248 Ų | 248 | 141.7 Ų | 141.7 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | | | cis | -146.6 | 164.6 | -4.7 | -95.8 | 0.4 | 0 | 0 | 0 | 110.1 | | |
| 929 | S | 42.3 | Very low | 41 | Very low | 119 Ų | 119 | 145 Ų | 145 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 18.9 | 144.7 | 151.2 | -51.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 930 | G | 41.8 | Very low | 40.9 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | cis | 161.3 | 168.6 | 3.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 931 | G | 40.4 | Very low | 40.8 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | cis | 176 | -174.6 | -5.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 932 | R | 41.9 | Very low | 41.1 | Very low | 255 Ų | 255 | 147.1 Ų | 147.1 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | | | trans | 69.5 | 102.4 | 166.2 | -63.4 | -172.3 | 175.8 | -83.7 | -2.5 | 121.5 | | |
| 933 | G | 41.5 | Very low | 41.1 | Very low | 74 Ų | 74 | 144.8 Ų | 144.8 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | | | | 120.5 | 152.6 | 113.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 934 | I | 41.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 80% | 0.795 | 78% | 0.779 | S | S | * | * | | | cis | -155.2 | 129.7 | -7.5 | -94.2 | 155.4 | 0 | 0 | 0 | 108.2 | | |
| 935 | H | 39.3 | Very low | 40.3 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | 51.9 | 165.8 | 159.2 | -79.3 | -110.2 | 0 | 0 | 0 | 119.4 | | |
| 936 | R | 40.9 | Very low | 40.2 | Very low | 186 Ų | 186 | 137.2 Ų | 137.2 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | cis | -152.5 | 142.1 | 10.9 | -150.3 | 150.1 | 179.4 | -146.2 | -25 | 112.8 | | |
| 937 | E | 43 | Very low | 39.9 | Very low | 126 Ų | 126 | 144 Ų | 144 | 59% | 0.589 | 78% | 0.784 | S | S | * | * | | | trans | 42.9 | 148.2 | 143 | -75.5 | 151 | -135.1 | 0 | 0 | 123 | | |
| 938 | H | 38 | Very low | 40 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | cis | -170.2 | 177.6 | -17.4 | -148.6 | -117.4 | 0 | 0 | 0 | 111.6 | | |
| 939 | L | 44.6 | Very low | 39.9 | Very low | 152 Ų | 152 | 146 Ų | 146 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | 78.3 | 153.2 | 163.9 | -61.4 | 176.2 | 0 | 0 | 0 | 119.8 | | |
| 940 | P | 39.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | -135.5 | 178.1 | -140.8 | 42.3 | -23.8 | 0 | 0 | 0 | 119.5 | | |
| 941 | L | 39.2 | Very low | 39.4 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 79% | 0.785 | S | S | * | * | | | trans | -33 | 160 | 160.9 | -87.2 | 161.5 | 0 | 0 | 0 | 117.3 | | |
| 942 | P | 43.6 | Very low | 39.4 | Very low | 119 Ų | 119 | 152.2 Ų | 152.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | | -148.6 | 159.8 | 51.4 | 41.1 | -20.9 | 0 | 0 | 0 | 121.3 | | |
| 943 | S | 35.6 | Very low | 39.4 | Very low | 96 Ų | 96 | 149 Ų | 149 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | 52.9 | 131.2 | 145.4 | -158.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 944 | T | 36.3 | Very low | 39 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 66% | 0.656 | 79% | 0.787 | S | S | * | * | | | | -176.8 | 144.4 | 69 | -62.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 945 | R | 36.3 | Very low | 38.8 | Very low | 229 Ų | 229 | 153 Ų | 153 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | | | trans | 54.6 | 111.3 | 164.7 | -72.7 | 168.2 | -164 | -126.5 | 2.6 | 118.8 | | |
| 946 | A | 35.8 | Very low | 38.8 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -109.1 | 145.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 947 | W | 34.8 | Very low | 38.7 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 89% | 0.886 | 80% | 0.795 | S | S | * | * | | | trans | -105.6 | 131 | 169.7 | -75.7 | 68.2 | 0 | 0 | 0 | 109.7 | | |
| 948 | P | 43 | Very low | 38.5 | Very low | 123 Ų | 123 | 153.2 Ų | 153.2 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -84.5 | 131.8 | 171.7 | 32.1 | -31.5 | 0 | 0 | 0 | 112.1 | | |
| 949 | Y | 38.7 | Very low | 38.3 | Very low | 238 Ų | 238 | 156.2 Ų | 156.2 | 93% | 0.933 | 82% | 0.815 | S | S | * | * | | | trans | -76.4 | 164 | 160.5 | -91.9 | -108.4 | 0 | 0 | 0 | 110.7 | | |
| 950 | G | 39.4 | Very low | 38.1 | Very low | 78 Ų | 78 | 153.1 Ų | 153.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 119.3 | 103.6 | 148.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 951 | V | 35.2 | Very low | 38 | Very low | 134 Ų | 134 | 153 Ų | 153 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -90.5 | 119.8 | 165.4 | 174.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 952 | E | 39.2 | Very low | 38.1 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | -129.1 | 144.7 | 153.5 | -85.2 | -162.7 | 148.8 | 0 | 0 | 110.4 | | |
| 953 | K | 42.7 | Very low | 38.1 | Very low | 188 Ų | 188 | 151.1 Ų | 151.1 | 82% | 0.817 | 81% | 0.808 | S | S | * | * | | | trans | -100.9 | 128 | -174.2 | -77.7 | -175.5 | 173.9 | -178.8 | 0 | 111.4 | F955 | K953-F955 PolarHBondContact O-N 3.09Š|
| 954 | S | 33.4 | Very low | 38.2 | Very low | 118 Ų | 118 | 158.4 Ų | 158.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -57.3 | 129.4 | 172.3 | -44.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 955 | F | 37.1 | Very low | 38.4 | Very low | 194 Ų | 194 | 167.8 Ų | 167.8 | 85% | 0.851 | 85% | 0.846 | S | S | * | * | | | trans | -133.6 | 139.4 | 152.1 | -95.3 | -78.9 | 0 | 0 | 0 | 109.1 | K953 | K953-F955 PolarHBondContact O-N 3.09Š|
| 956 | S | 39.7 | Very low | 38.5 | Very low | 104 Ų | 104 | 164.8 Ų | 164.8 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | | | trans | -82.9 | 131.9 | -157.6 | 38.7 | 0 | 0 | 0 | 0 | 114.6 | W958 | S956-W958 PolarHBondContact O-N 3.49Š|
| 957 | T | 38.3 | Very low | 38.6 | Very low | 133 Ų | 133 | 168.2 Ų | 168.2 | 82% | 0.816 | 85% | 0.846 | S | S | * | * | | | trans | -81 | 99.5 | -177.9 | -44.1 | 0 | 0 | 0 | 0 | 111.7 | R959 | T957-R959 PolarHBondContact O-N 3.02Š|
| 958 | W | 38.9 | Very low | 38.8 | Very low | 240 Ų | 240 | 164.5 Ų | 164.5 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | | | trans | -69.7 | 91.7 | 168.7 | -83.1 | 90.2 | 0 | 0 | 0 | 111.1 | S956 A960 | S956-W958 PolarHBondContact O-N 3.49Å; W958-A960 PolarHBondContact O-N 3.07Å; W958-A960 VanDerWaalsContact O-N 3.09Å |
| 959 | R | 33.3 | Very low | 38.6 | Very low | 228 Ų | 228 | 166.9 Ų | 166.9 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | | | trans | -79.4 | 80.3 | 176 | -173.2 | -170.5 | -66.8 | -123.4 | 2.6 | 110.5 | T957 | T957-R959 PolarHBondContact O-N 3.02Š|
| 960 | A | 41.2 | Very low | 38.6 | Very low | 87 Ų | 87 | 162.5 Ų | 162.5 | 72% | 0.719 | 84% | 0.841 | S | S | * | * | | | trans | -78.7 | 118.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | W958 | W958-A960 PolarHBondContact O-N 3.07Å; W958-A960 VanDerWaalsContact O-N 3.09Å |
| 961 | S | 35.9 | Very low | 38.5 | Very low | 113 Ų | 113 | 168.1 Ų | 168.1 | 79% | 0.79 | 84% | 0.844 | S | S | * | * | | | trans | -61.6 | 135.1 | -177.7 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 962 | T | 42 | Very low | 38.7 | Very low | 129 Ų | 129 | 170.6 Ų | 170.6 | 79% | 0.791 | 85% | 0.846 | S | S | * | * | | | trans | -102.3 | 113.3 | 167.8 | -46.5 | 0 | 0 | 0 | 0 | 108.4 | R964 | T962-R964 PolarHBondContact O-N 3.43Š|
| 963 | P | 44.4 | Very low | 38.7 | Very low | 108 Ų | 108 | 168.8 Ų | 168.8 | 70% | 0.701 | 84% | 0.842 | S | S | * | * | | | trans | -66 | 134.2 | 169.4 | 28.3 | -32.5 | 0 | 0 | 0 | 108.9 | | |
| 964 | R | 37.4 | Very low | 38.4 | Very low | 248 Ų | 248 | 167.3 Ų | 167.3 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | | | trans | -89.1 | 119.9 | 165.5 | -80.7 | -174.9 | 172.7 | -177.9 | -1.6 | 108.7 | T962 | T962-R964 PolarHBondContact O-N 3.43Š|
| 965 | Y | 39 | Very low | 38.8 | Very low | 305 Ų | 305 | 171.7 Ų | 171.7 | 100% | 1.196 | 85% | 0.845 | S | S | * | * | | | trans | -127.2 | 0 | 152.1 | -91.9 | -79.6 | 0 | 0 | 0 | 106 | | |