| 1 | G | 39.4 | Very low | 43.7 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 100% | 1.289 | 83% | 0.826 | S | S | * | * | | | | 0 | 103.7 | 0 | 0 | 0 | 0 | 0 | 0 | 105.6 | | |
| 2 | H | 42.7 | Very low | 43.3 | Very low | 178 Ų | 178 | 141.4 Ų | 141.4 | 82% | 0.824 | 82% | 0.82 | S | S | * | * | | | | 60.2 | 101.2 | 62.7 | -153.5 | 47.4 | 0 | 0 | 0 | 110.7 | | |
| 3 | L | 45.1 | Very low | 43.4 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | -81.3 | 123.2 | 179.9 | -68.2 | 158.7 | 0 | 0 | 0 | 107.3 | N5 | L3-N5 PolarHBondContact O-N 3.14Š|
| 4 | D | 48.4 | Very low | 43.3 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | | | trans | -75.9 | 109.6 | 172.8 | -64 | -36.3 | 0 | 0 | 0 | 108.4 | | |
| 5 | N | 43.5 | Very low | 43.3 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | | | trans | -94.4 | 103.3 | 165.4 | -79.4 | -46.9 | 0 | 0 | 0 | 107.5 | L3 T7 | L3-N5 PolarHBondContact O-N 3.14Å; N5-T7 PolarHBondContact O-N 3.33Å; N5-T7 PolarHBondContact O-OG1 3.22Å |
| 6 | D | 46.2 | Very low | 43.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | | | trans | -65.4 | 95.7 | 172.3 | -73.9 | -32.7 | 0 | 0 | 0 | 110 | L8 | D6-L8 PolarHBondContact O-N 3.38Š|
| 7 | T | 44.3 | Very low | 43.6 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | trans | -84.8 | 93.5 | 175.2 | -56.6 | 0 | 0 | 0 | 0 | 108.3 | N5 A9 | N5-T7 PolarHBondContact O-N 3.33Å; N5-T7 PolarHBondContact O-OG1 3.22Å; T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 3.19Å |
| 8 | L | 46.3 | Very low | 43.7 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -75.1 | 86.1 | 164.2 | -70.9 | 175.1 | 0 | 0 | 0 | 108.6 | D6 M10 | D6-L8 PolarHBondContact O-N 3.38Å; L8-M10 PolarHBondContact O-N 3.4Å |
| 9 | A | 42.4 | Very low | 43.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | | | trans | -67.1 | 99.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | T7 H11 | T7-A9 VanDerWaalsContact C-N 3.27Å; T7-A9 PolarHBondContact O-N 3.19Å; A9-H11 PolarHBondContact O-N 3.42Å |
| 10 | M | 39.5 | Very low | 43.6 | Very low | 162 Ų | 162 | 138.2 Ų | 138.2 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | -66.2 | 121.6 | 168.7 | -70.5 | -88.7 | 54.6 | 0 | 0 | 108.4 | L8 S12 | L8-M10 PolarHBondContact O-N 3.4Å; M10-S12 PolarHBondContact O-N 3.2Å |
| 11 | H | 42.7 | Very low | 43.8 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | | | trans | -56.7 | 102.9 | 171.7 | -67.5 | -84.1 | 0 | 0 | 0 | 108.8 | A9 L13 | A9-H11 PolarHBondContact O-N 3.42Å; H11-L13 PolarHBondContact O-N 3.25Å |
| 12 | S | 39.7 | Very low | 43.8 | Very low | 108 Ų | 108 | 141.4 Ų | 141.4 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | | | trans | -56.4 | 108.7 | 162 | -71.3 | 0 | 0 | 0 | 0 | 107.4 | M10 D14 | M10-S12 PolarHBondContact O-N 3.2Å; S12-D14 PolarHBondContact O-N 3.28Å; S12-D14 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 44.2 | Very low | 43.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -67.3 | 103.7 | 163.4 | -68.2 | 167 | 0 | 0 | 0 | 106 | H11 L15 | H11-L13 PolarHBondContact O-N 3.25Å; L13-L15 HydrophobicContact CB-CD1 4.42Å; L13-L15 PolarHBondContact O-N 3.19Å |
| 14 | D | 42 | Very low | 43.6 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 75% | 0.752 | S | S | * | * | | | trans | -60.4 | 90.5 | 162.7 | -80.8 | -33.8 | 0 | 0 | 0 | 107.6 | S12 S16 | S12-D14 PolarHBondContact O-N 3.28Å; S12-D14 VanDerWaalsContact O-N 3.1Å; D14-S16 PolarHBondContact O-N 3.25Å |
| 15 | L | 42.7 | Very low | 43.4 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 81% | 0.806 | 75% | 0.753 | S | S | * | * | | | trans | -70.5 | 84.8 | 158.9 | -96.5 | 100.5 | 0 | 0 | 0 | 107 | L13 T17 | L13-L15 HydrophobicContact CB-CD1 4.42Å; L13-L15 PolarHBondContact O-N 3.19Å; L15-T17 PolarHBondContact O-N 3.14Å; L15-T17 VanDerWaalsContact O-N 3.1Å |
| 16 | S | 41.3 | Very low | 43.2 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | trans | -64.2 | 104.5 | 159.6 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | D14 E18 | D14-S16 PolarHBondContact O-N 3.25Å; S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 PolarHBondContact O-N 3.03Å |
| 17 | T | 50.6 | Low | 42.9 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | | | trans | -63 | 88.4 | 167 | 0.5 | 0 | 0 | 0 | 0 | 108.3 | L15 | L15-T17 PolarHBondContact O-N 3.14Å; L15-T17 VanDerWaalsContact O-N 3.1Å |
| 18 | E | 46.5 | Very low | 42.6 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | trans | -101.7 | 121.1 | 168.8 | -131.6 | 179.6 | 142.6 | 0 | 0 | 110.1 | S16 R22 | S16-E18 VanDerWaalsContact C-N 3.27Å; S16-E18 PolarHBondContact O-N 3.03Å; E18-R22 IonicContact OE1-NH1 3.93Å |
| 19 | D | 41.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | | | trans | -51.2 | 136.9 | 179.8 | -171.9 | 19.6 | 0 | 0 | 0 | 112.8 | L21 | D19-L21 PolarHBondContact O-N 3.37Š|
| 20 | P | 42.9 | Very low | 42 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 13.5 | -174.5 | -16 | 29.7 | 0 | 0 | 0 | 116.2 | | |
| 21 | L | 47.4 | Very low | 42.1 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 20 | -170.1 | -63.7 | -177 | 0 | 0 | 0 | 115.7 | D19 | D19-L21 PolarHBondContact O-N 3.37Š|
| 22 | R | 41.1 | Very low | 42 | Very low | 187 Ų | 187 | 137.5 Ų | 137.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -102.5 | 75.4 | 172 | -59.1 | -161.4 | 78.3 | -158.1 | 2.4 | 112.1 | E18 V24 | E18-R22 IonicContact OE1-NH1 3.93Å; R22-V24 PolarHBondContact O-N 2.88Å |
| 23 | L | 44.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 136 Ų | 136 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -68.1 | 104.3 | 159.1 | -174.9 | 71.3 | 0 | 0 | 0 | 108.7 | F25 | L23-F25 HydrophobicContact CD2-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CZ 4.49Å; L23-F25 HydrophobicContact CG-CE2 4.27Å |
| 24 | V | 38.7 | Very low | 41.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 66% | 0.655 | 77% | 0.766 | S | S | * | * | | | trans | -127.6 | 115.5 | 157.2 | 178.2 | 0 | 0 | 0 | 0 | 107.2 | R22 L26 | R22-V24 PolarHBondContact O-N 2.88Å; V24-L26 PolarHBondContact O-N 3.21Å |
| 25 | F | 43 | Very low | 41.4 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -49.5 | 121.5 | 171 | -67.8 | -98.4 | 0 | 0 | 0 | 110.3 | L23 | L23-F25 HydrophobicContact CD2-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CZ 4.49Å; L23-F25 HydrophobicContact CG-CE2 4.27Å |
| 26 | L | 39.8 | Very low | 41.1 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | | | trans | -106.5 | 109.2 | 154.9 | -114.9 | 87.1 | 0 | 0 | 0 | 107.3 | V24 | V24-L26 PolarHBondContact O-N 3.21Š|
| 27 | D | 40.3 | Very low | 40.7 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | | | trans | -67.9 | 125.5 | 164.4 | -166.9 | 25.7 | 0 | 0 | 0 | 107.9 | D29 | D27-D29 PolarHBondContact O-N 3.19Š|
| 28 | E | 37.5 | Very low | 39.7 | Very low | 190 Ų | 190 | 141.7 Ų | 141.7 | 89% | 0.888 | 77% | 0.766 | S | S | * | * | | | trans | -79.9 | 91.7 | 171.8 | -177.9 | 169.3 | 111.8 | 0 | 0 | 107.1 | | |
| 29 | D | 37.3 | Very low | 39 | Very low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | -124.6 | 127.2 | 161.1 | -110.5 | -17.2 | 0 | 0 | 0 | 110 | D27 | D27-D29 PolarHBondContact O-N 3.19Š|
| 30 | A | 39.2 | Very low | 38.5 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -54.2 | 143.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 31 | S | 40.5 | Very low | 38.1 | Very low | 108 Ų | 108 | 143 Ų | 143 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | | 144.1 | 132.4 | 124 | -171.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 32 | S | 42.2 | Very low | 38.8 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 69.8 | 105.7 | 152 | 70.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 33 | G | 37.8 | Very low | 38.1 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -70.1 | 154 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 34 | V | 34.9 | Very low | 37.7 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -160.7 | 136.1 | 145.3 | 144.2 | 0 | 0 | 0 | 0 | 106.4 | | |
| 35 | R | 40.3 | Very low | 37.3 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | | | trans | -69.6 | 147.9 | 178.4 | -57.2 | 166.4 | 84.3 | -125.7 | 8.6 | 110.8 | | |
| 36 | S | 36.3 | Very low | 36.8 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | | 158.1 | 120.3 | 128.5 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 37 | S | 32.3 | Very low | 37 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | | | | 87.2 | 119.8 | 78.6 | -157.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 38 | W | 30.2 | Very low | 36.7 | Very low | 250 Ų | 250 | 136.5 Ų | 136.5 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | | | trans | 56.8 | 118.6 | 154.3 | -64.7 | -43.4 | 0 | 0 | 0 | 121.2 | | |
| 39 | G | 32.3 | Very low | 36.6 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | | | | 86.3 | 134.9 | 108.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 40 | S | 30.5 | Very low | 36.2 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | | | trans | 94.8 | 115.7 | 150.1 | -51.5 | 0 | 0 | 0 | 0 | 119 | | |
| 41 | K | 34.7 | Very low | 36.4 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -82.1 | -175.1 | 160.8 | -156.2 | -169.3 | 173.7 | 80.4 | 0 | 108.6 | | |
| 42 | P | 60.5 | Low | 36.3 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | | -105.7 | 167.1 | -85.1 | 35.8 | -21.6 | 0 | 0 | 0 | 112.9 | | |
| 43 | H | 27.9 | Very low | 36.2 | Very low | 164 Ų | 164 | 136.6 Ų | 136.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | -160.1 | 147.2 | 154.7 | -163 | -91.8 | 0 | 0 | 0 | 113.9 | | |
| 44 | L | 35.4 | Very low | 36.3 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | -51.3 | 158.2 | 177.1 | -58.2 | 134.8 | 0 | 0 | 0 | 113.7 | | |
| 45 | D | 29.9 | Very low | 36.2 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | | -170 | 169.7 | 56.5 | -99.2 | -52.4 | 0 | 0 | 0 | 112.9 | | |
| 46 | A | 32.4 | Very low | 36.1 | Very low | 85 Ų | 85 | 134.1 Ų | 134.1 | 70% | 0.702 | 79% | 0.786 | S | S | * | * | | | trans | -60.6 | -174.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 47 | P | 44.4 | Very low | 36.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | cis | -145.4 | 156.5 | 27.4 | 40.2 | -17 | 0 | 0 | 0 | 120.1 | | |
| 48 | F | 34.3 | Very low | 36.8 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 84% | 0.842 | 79% | 0.791 | S | S | * | * | | | trans | 56.3 | 119.2 | 136.9 | -83.1 | -106.9 | 0 | 0 | 0 | 122.3 | | |
| 49 | T | 35 | Very low | 37.2 | Very low | 144 Ų | 144 | 130.4 Ų | 130.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | | -160.1 | 127.5 | 104.8 | 4.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 50 | G | 30.4 | Very low | 37.8 | Very low | 67 Ų | 67 | 133.4 Ų | 133.4 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | -76.9 | -164 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 51 | P | 42.8 | Very low | 38.5 | Very low | 136 Ų | 136 | 133.2 Ų | 133.2 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | cis | -132.2 | -179.8 | 26.6 | 37.3 | -17.2 | 0 | 0 | 0 | 115.9 | | |
| 52 | Q | 38.6 | Very low | 39.1 | Very low | 184 Ų | 184 | 129.6 Ų | 129.6 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -57.1 | 150 | -172.6 | -58.6 | 173 | -4.7 | 0 | 0 | 116.6 | | |
| 53 | S | 40.3 | Very low | 38.5 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -146.9 | 109.3 | 132.7 | 67.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 54 | Q | 39.8 | Very low | 39.6 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -64.6 | 133.1 | 157.9 | -86 | 173.4 | -18 | 0 | 0 | 108.5 | | |
| 55 | G | 32.1 | Very low | 40.4 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | | | trans | -170.9 | 80.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 56 | T | 37.3 | Very low | 41.2 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | 22.9 | 114.8 | 146.7 | 52.9 | 0 | 0 | 0 | 0 | 118.5 | S58 | T56-S58 PolarHBondContact O-N 3.31Š|
| 57 | S | 42.3 | Very low | 42.2 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -31.5 | 122.7 | 152.3 | 165.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 58 | S | 41.5 | Very low | 42.6 | Very low | 100 Ų | 100 | 130.2 Ų | 130.2 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -149.4 | 109.7 | 147.8 | 63.6 | 0 | 0 | 0 | 0 | 108.7 | T56 N60 | T56-S58 PolarHBondContact O-N 3.31Å; S58-N60 PolarHBondContact O-N 3.01Å |
| 59 | N | 39.4 | Very low | 43.5 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | | | trans | -65.5 | 114 | 175.6 | -54.4 | -48.8 | 0 | 0 | 0 | 109.5 | | |
| 60 | N | 44.8 | Very low | 44.2 | Very low | 131 Ų | 131 | 126.2 Ų | 126.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -121.8 | 106.7 | 153.1 | 59.6 | -1.3 | 0 | 0 | 0 | 108.7 | S58 T62 | S58-N60 PolarHBondContact O-N 3.01Å; N60-T62 PolarHBondContact O-N 3.16Å |
| 61 | S | 45.5 | Very low | 45.9 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | | | trans | -56.8 | 96.4 | 172.3 | 175.4 | 0 | 0 | 0 | 0 | 109 | E63 | S61-E63 PolarHBondContact O-N 3.01Š|
| 62 | T | 46.1 | Very low | 46.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | trans | -81.2 | 107 | 168.2 | -59.7 | 0 | 0 | 0 | 0 | 106.6 | N60 S64 | N60-T62 PolarHBondContact O-N 3.16Å; T62-S64 PolarHBondContact O-N 3.36Å |
| 63 | E | 48.2 | Very low | 47.7 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | -46.9 | 107.3 | 170.9 | -176.6 | 179.1 | 160.8 | 0 | 0 | 109.8 | S61 V65 | S61-E63 PolarHBondContact O-N 3.01Å; E63-V65 PolarHBondContact O-N 3.4Å; E63-V65 VanDerWaalsContact O-N 3.14Å |
| 64 | S | 50.3 | Low | 48.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | trans | -75.4 | 103 | 176.6 | 62.4 | 0 | 0 | 0 | 0 | 108.6 | T62 P66 | T62-S64 PolarHBondContact O-N 3.36Å; S64-P66 WeakPolarHBondContact O-CD 3.35Å |
| 65 | V | 52.7 | Low | 49.1 | Very low | 110 Ų | 110 | 130.1 Ų | 130.1 | 67% | 0.667 | 77% | 0.766 | S | S | * | * | | | trans | -62.2 | 117.8 | 168.5 | 178.9 | 0 | 0 | 0 | 0 | 108 | E63 T67 | E63-V65 PolarHBondContact O-N 3.4Å; E63-V65 VanDerWaalsContact O-N 3.14Å; V65-T67 PolarHBondContact O-N 3.37Å |
| 66 | P | 47.6 | Very low | 50.3 | Low | 103 Ų | 103 | 130.2 Ų | 130.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | trans | -67.1 | 110 | 177.9 | 26.1 | -31.5 | 0 | 0 | 0 | 108.8 | S64 L68 | S64-P66 WeakPolarHBondContact O-CD 3.35Å; P66-L68 PolarHBondContact O-N 3.02Å; P66-L68 VanDerWaalsContact O-N 3.16Å |
| 67 | T | 53 | Low | 51.7 | Low | 114 Ų | 114 | 129.3 Ų | 129.3 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | | | trans | -74.1 | 104.2 | 174 | -54.8 | 0 | 0 | 0 | 0 | 107.7 | V65 N69 | V65-T67 PolarHBondContact O-N 3.37Å; T67-N69 PolarHBondContact O-N 3.21Å |
| 68 | L | 51.9 | Low | 52.4 | Low | 150 Ų | 150 | 130 Ų | 130 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -78.5 | 108.6 | 177.1 | -63.4 | 178.4 | 0 | 0 | 0 | 109.3 | P66 S70 | P66-L68 PolarHBondContact O-N 3.02Å; P66-L68 VanDerWaalsContact O-N 3.16Å; L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.11Å |
| 69 | N | 53.5 | Low | 53.2 | Low | 152 Ų | 152 | 130.6 Ų | 130.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -78 | 78.6 | 172.4 | -53.8 | -63.8 | 0 | 0 | 0 | 109.1 | T67 K71 | T67-N69 PolarHBondContact O-N 3.21Å; N69-K71 PolarHBondContact O-N 3.18Å |
| 70 | S | 49.6 | Very low | 54.4 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -76.2 | 104.2 | 175.7 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | L68 L72 | L68-S70 VanDerWaalsContact C-N 3.29Å; L68-S70 PolarHBondContact O-N 3.11Å; S70-L72 PolarHBondContact O-N 3.23Å |
| 71 | K | 66.9 | Low | 54.9 | Low | 198 Ų | 198 | 129.4 Ų | 129.4 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | | | trans | -76.9 | 100.9 | 166.2 | -162.5 | 174.9 | -176.2 | -178.6 | 0 | 107.5 | N69 I73 | N69-K71 PolarHBondContact O-N 3.18Å; K71-I73 PolarHBondContact O-N 3.27Å |
| 72 | L | 56.3 | Low | 55.3 | Low | 156 Ų | 156 | 128.2 Ų | 128.2 | 82% | 0.817 | 77% | 0.765 | S | S | * | * | | | trans | -62.1 | 120.4 | 174.6 | -71.9 | 167.4 | 0 | 0 | 0 | 109.1 | S70 | S70-L72 PolarHBondContact O-N 3.23Š|
| 73 | I | 61.9 | Low | 55.3 | Low | 146 Ų | 146 | 125.8 Ų | 125.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -87.9 | 106.6 | 169.2 | -56.6 | 171.7 | 0 | 0 | 0 | 106 | K71 L75 | K71-I73 PolarHBondContact O-N 3.27Å; I73-L75 HydrophobicContact CG2-CD2 4.36Å; I73-L75 HydrophobicContact CG2-CG 4.41Å; I73-L75 PolarHBondContact O-N 3.1Å |
| 74 | C | 50.8 | Low | 55.3 | Low | 125 Ų | 125 | 122.8 Ų | 122.8 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | -69.8 | 93.9 | 172.9 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | G76 | C74-G76 PolarHBondContact O-N 3.19Š|
| 75 | L | 60 | Low | 55.4 | Low | 160 Ų | 160 | 124 Ų | 124 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -77.9 | 102.8 | 167.8 | -69.9 | 172.8 | 0 | 0 | 0 | 108.7 | I73 | I73-L75 HydrophobicContact CG2-CD2 4.36Å; I73-L75 HydrophobicContact CG2-CG 4.41Å; I73-L75 PolarHBondContact O-N 3.1Å |
| 76 | G | 57.3 | Low | 55 | Low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | 63.8 | 124.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | C74 | C74-G76 PolarHBondContact O-N 3.19Š|
| 77 | S | 66.9 | Low | 55 | Low | 116 Ų | 116 | 125.6 Ų | 125.6 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -54 | 132.7 | 167.2 | -36.4 | 0 | 0 | 0 | 0 | 110.2 | C79 | S77-C79 PolarHBondContact O-N 2.98Å; S77-C79 VanDerWaalsContact O-N 3.1Å |
| 78 | P | 56.6 | Low | 54.7 | Low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -65.8 | 115 | 171.6 | 25.7 | -30.8 | 0 | 0 | 0 | 108.6 | V80 | P78-V80 PolarHBondContact O-N 3.32Š|
| 79 | C | 58.2 | Low | 54.5 | Low | 114 Ų | 114 | 124.3 Ų | 124.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -73.6 | 110 | 171.4 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | S77 V81 | S77-C79 PolarHBondContact O-N 2.98Å; S77-C79 VanDerWaalsContact O-N 3.1Å; C79-V81 PolarHBondContact O-N 3.06Å; C79-V81 VanDerWaalsContact O-N 3.11Å |
| 80 | V | 64.3 | Low | 53.8 | Low | 133 Ų | 133 | 119.7 Ų | 119.7 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -71 | 103.4 | 168.4 | 177.3 | 0 | 0 | 0 | 0 | 107.1 | P78 S82 | P78-V80 PolarHBondContact O-N 3.32Å; V80-S82 PolarHBondContact O-N 3.27Å |
| 81 | V | 55.3 | Low | 53.6 | Low | 130 Ų | 130 | 122.9 Ų | 122.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -75.9 | 101.7 | 165.7 | 177 | 0 | 0 | 0 | 0 | 107 | C79 G83 | C79-V81 PolarHBondContact O-N 3.06Å; C79-V81 VanDerWaalsContact O-N 3.11Å; V81-G83 PolarHBondContact O-N 3.13Å |
| 82 | S | 54.2 | Low | 52.4 | Low | 102 Ų | 102 | 118.4 Ų | 118.4 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -70.5 | 92.9 | 170 | -169.4 | 0 | 0 | 0 | 0 | 108.7 | V80 S84 | V80-S82 PolarHBondContact O-N 3.27Å; S82-S84 PolarHBondContact O-N 2.93Å |
| 83 | G | 44.8 | Very low | 51.7 | Low | 68 Ų | 68 | 115.2 Ų | 115.2 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | | | trans | -78.4 | 93.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | V81 | V81-G83 PolarHBondContact O-N 3.13Š|
| 84 | S | 50 | Low | 50.4 | Low | 105 Ų | 105 | 114.9 Ų | 114.9 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -85.2 | 124.2 | 165 | 6.1 | 0 | 0 | 0 | 0 | 108.3 | S82 | S82-S84 PolarHBondContact O-N 2.93Š|
| 85 | V | 51.7 | Low | 49.9 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | -100.8 | 105.9 | 171.1 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | T87 | V85-T87 PolarHBondContact O-N 2.78Š|
| 86 | C | 44.5 | Very low | 48.7 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -78.2 | 104.8 | 167.1 | 32.5 | 0 | 0 | 0 | 0 | 108.3 | D88 | C86-D88 VanDerWaalsContact C-N 3.31Å; C86-D88 PolarHBondContact O-N 3.13Å; C86-D88 VanDerWaalsContact O-N 3.13Å |
| 87 | T | 47.3 | Very low | 48.1 | Very low | 127 Ų | 127 | 119.7 Ų | 119.7 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | -77.9 | 89.7 | 161.6 | 53.9 | 0 | 0 | 0 | 0 | 107.5 | V85 A89 | V85-T87 PolarHBondContact O-N 2.78Å; T87-A89 PolarHBondContact O-N 3.41Å |
| 88 | D | 46.1 | Very low | 46.8 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -69.4 | 87.3 | 161.2 | -179.9 | 31.9 | 0 | 0 | 0 | 107.8 | C86 G90 | C86-D88 VanDerWaalsContact C-N 3.31Å; C86-D88 PolarHBondContact O-N 3.13Å; C86-D88 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact O-N 2.99Å; D88-G90 PolarHBondContact OD1-N 2.99Å |
| 89 | A | 48.5 | Very low | 45.8 | Very low | 88 Ų | 88 | 121.1 Ų | 121.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -73.6 | 81.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | T87 L91 | T87-A89 PolarHBondContact O-N 3.41Å; A89-L91 PolarHBondContact O-N 3.48Å |
| 90 | G | 38.7 | Very low | 45 | Very low | 56 Ų | 56 | 125.3 Ų | 125.3 | 58% | 0.577 | 77% | 0.768 | S | S | * | * | | | trans | -63 | 79.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D88 S92 | D88-G90 PolarHBondContact O-N 2.99Å; D88-G90 PolarHBondContact OD1-N 2.99Å; G90-S92 VanDerWaalsContact C-N 3.31Å; G90-S92 PolarHBondContact O-N 3.19Å; G90-S92 VanDerWaalsContact O-N 3.13Å |
| 91 | L | 45.7 | Very low | 43.8 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | | | trans | -82.6 | 85.7 | 169.3 | -142.7 | 151.9 | 0 | 0 | 0 | 106.7 | A89 | A89-L91 PolarHBondContact O-N 3.48Š|
| 92 | S | 42.2 | Very low | 43 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -75.6 | 146.6 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 112 | G90 | G90-S92 VanDerWaalsContact C-N 3.31Å; G90-S92 PolarHBondContact O-N 3.19Å; G90-S92 VanDerWaalsContact O-N 3.13Å |
| 93 | A | 40.1 | Very low | 42.2 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | 83.4 | 85.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 94 | D | 34.8 | Very low | 42.3 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | | 58.3 | 101.4 | 87.7 | -171 | 32.5 | 0 | 0 | 0 | 110.6 | | |
| 95 | R | 41.2 | Very low | 41.9 | Very low | 215 Ų | 215 | 129.5 Ų | 129.5 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | | -170.3 | 142 | 102 | -56.4 | -151.6 | 168 | 129.9 | -0.6 | 112.1 | | |
| 96 | T | 33.8 | Very low | 41.5 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | | | trans | 91.4 | 111.4 | 139.2 | 11.1 | 0 | 0 | 0 | 0 | 122.8 | | |
| 97 | V | 44.3 | Very low | 41.2 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | | | trans | 83.2 | 107.2 | 139.8 | -147.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 98 | E | 41.2 | Very low | 41 | Very low | 192 Ų | 192 | 135.4 Ų | 135.4 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | | | trans | 48.2 | 124.8 | 132 | -150.6 | -174.5 | 172.6 | 0 | 0 | 120.6 | | |
| 99 | G | 35.4 | Very low | 40.3 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | trans | 160.3 | 105.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 100 | K | 40.3 | Very low | 39.5 | Very low | 202 Ų | 202 | 137.5 Ų | 137.5 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -43.7 | 142.2 | 173 | -73.5 | 149.6 | 161.1 | 170.2 | 0 | 117.7 | | |
| 101 | S | 40.4 | Very low | 39.6 | Very low | 122 Ų | 122 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | 51.4 | 133.9 | 136.8 | 69.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 102 | G | 37 | Very low | 39.2 | Very low | 72 Ų | 72 | 138.9 Ų | 138.9 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 128.9 | 111.1 | 134 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 103 | E | 37.3 | Very low | 39 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | 45.4 | 147.5 | 141.3 | -141.7 | 122.4 | 153.7 | 0 | 0 | 121.7 | | |
| 104 | P | 48.8 | Very low | 38.9 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | | | trans | -84.5 | 137.6 | -161.4 | 37.3 | -33.3 | 0 | 0 | 0 | 111.1 | | |
| 105 | L | 40.1 | Very low | 39 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 73% | 0.728 | 79% | 0.79 | S | S | * | * | | | trans | -128.4 | 106.8 | 168.7 | -69.5 | 175.9 | 0 | 0 | 0 | 110 | H107 | L105-H107 PolarHBondContact O-ND1 3.2Š|
| 106 | N | 43.2 | Very low | 39.3 | Very low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | | | trans | -24.3 | 129.5 | 147.1 | 53 | -82.1 | 0 | 0 | 0 | 113.2 | | |
| 107 | H | 38.8 | Very low | 39.6 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | | | trans | -148 | 128.5 | 150.7 | 36.7 | -95.5 | 0 | 0 | 0 | 110.8 | L105 | L105-H107 PolarHBondContact O-ND1 3.2Š|
| 108 | K | 43 | Very low | 39.9 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -55.1 | 167.3 | 175.4 | -85.6 | -174.9 | 148.6 | -174.2 | 0 | 112.8 | | |
| 109 | Q | 30.8 | Very low | 39.9 | Very low | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 82.4 | 139.7 | 143.8 | -118.7 | 178.8 | -44.3 | 0 | 0 | 113 | | |
| 110 | V | 33.5 | Very low | 40.5 | Very low | 110 Ų | 110 | 136 Ų | 136 | 67% | 0.667 | 79% | 0.788 | S | S | * | * | | | cis | -157.4 | 140.2 | 28.7 | -171.5 | 0 | 0 | 0 | 0 | 106.9 | S112 | V110-S112 PolarHBondContact O-N 2.99Š|
| 111 | C | 40.1 | Very low | 40.7 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 91% | 0.905 | 78% | 0.779 | S | S | * | * | | | trans | -63 | 116.9 | 160.2 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 112 | S | 36.2 | Very low | 41.4 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -109.7 | 117.5 | 165.3 | 167.4 | 0 | 0 | 0 | 0 | 107.9 | V110 | V110-S112 PolarHBondContact O-N 2.99Š|
| 113 | A | 38.7 | Very low | 41.6 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | -104 | 150.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 114 | A | 37.5 | Very low | 42.3 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | | | trans | 81.7 | 149.2 | 165 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 115 | P | 38.1 | Very low | 42.1 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | cis | -127.5 | 160.9 | 21.2 | 38.1 | -20.7 | 0 | 0 | 0 | 117 | V117 | P115-V117 PolarHBondContact O-N 3.48Š|
| 116 | V | 47.3 | Very low | 42.9 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | | | trans | -59.5 | 124.1 | 162.9 | 170.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 117 | V | 40 | Very low | 43.3 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | -130.2 | 114.4 | 156.5 | 169.6 | 0 | 0 | 0 | 0 | 105.7 | P115 S119 | P115-V117 PolarHBondContact O-N 3.48Å; V117-S119 PolarHBondContact O-N 3.4Å |
| 118 | E | 49.9 | Very low | 44.3 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -63.9 | 123.3 | 166.7 | -71.3 | -162.7 | 162 | 0 | 0 | 109.2 | | |
| 119 | S | 41.9 | Very low | 44.9 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | | | trans | -159.9 | 100.4 | 157.2 | 54.4 | 0 | 0 | 0 | 0 | 106.2 | V117 P121 | V117-S119 PolarHBondContact O-N 3.4Å; S119-P121 WeakPolarHBondContact O-CD 3.11Å |
| 120 | D | 47.7 | Very low | 46.4 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -57 | 119.5 | 168 | -93.2 | -30.1 | 0 | 0 | 0 | 109.8 | | |
| 121 | P | 44.9 | Very low | 47.6 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | trans | -100.7 | 105 | 152.6 | 17.2 | 5.7 | 0 | 0 | 0 | 106.1 | S119 S123 | S119-P121 WeakPolarHBondContact O-CD 3.11Å; P121-S123 PolarHBondContact O-N 2.86Å |
| 122 | L | 54.6 | Low | 48.4 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | | | trans | -54.6 | 89 | 156.1 | -65.8 | 170.4 | 0 | 0 | 0 | 107.5 | | |
| 123 | S | 41.3 | Very low | 49.4 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | -115.7 | 111.6 | 174.9 | -143.6 | 0 | 0 | 0 | 0 | 107.7 | P121 S125 | P121-S123 PolarHBondContact O-N 2.86Å; S123-S125 PolarHBondContact O-N 2.95Å |
| 124 | S | 52.9 | Low | 50.5 | Low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -24.6 | 110.6 | 170.4 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | T126 | S124-T126 PolarHBondContact O-N 3.45Š|
| 125 | S | 44 | Very low | 51.8 | Low | 117 Ų | 117 | 134.4 Ų | 134.4 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -46.9 | 118 | 165.4 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | S123 | S123-S125 PolarHBondContact O-N 2.95Š|
| 126 | T | 56.5 | Low | 52.7 | Low | 126 Ų | 126 | 136.2 Ų | 136.2 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -84.8 | 120.7 | 162.1 | -43.1 | 0 | 0 | 0 | 0 | 106.8 | S124 V128 | S124-T126 PolarHBondContact O-N 3.45Å; T126-V128 PolarHBondContact O-N 2.86Å |
| 127 | D | 51.9 | Low | 53.5 | Low | 127 Ų | 127 | 140.2 Ų | 140.2 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | | | trans | -50.5 | 110.8 | 175.7 | 178.7 | 19.9 | 0 | 0 | 0 | 112.1 | V129 | D127-V129 PolarHBondContact OD1-N 3.43Š|
| 128 | V | 59.1 | Low | 54.5 | Low | 131 Ų | 131 | 144.8 Ų | 144.8 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -130.4 | 98.6 | 154.5 | -82.8 | 0 | 0 | 0 | 0 | 107.5 | T126 K130 | T126-V128 PolarHBondContact O-N 2.86Å; V128-K130 PolarHBondContact O-N 3.18Å |
| 129 | V | 55.7 | Low | 54.9 | Low | 132 Ų | 132 | 138.6 Ų | 138.6 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -50.3 | 97 | 176.6 | -142.5 | 0 | 0 | 0 | 0 | 110.9 | D127 | D127-V129 PolarHBondContact OD1-N 3.43Š|
| 130 | K | 61.7 | Low | 55.1 | Low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | -97.1 | 105.4 | 164.2 | -108.2 | -176.8 | 178.3 | -179.2 | 0 | 107.6 | V128 G132 | V128-K130 PolarHBondContact O-N 3.18Å; K130-G132 PolarHBondContact O-N 2.92Å |
| 131 | Q | 59.7 | Low | 55.3 | Low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 30.4 | 85.6 | 159.7 | -58.4 | -163.4 | 32.5 | 0 | 0 | 116.3 | L133 | Q131-L133 PolarHBondContact O-N 3.47Š|
| 132 | G | 56.7 | Low | 55.5 | Low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | 63.6 | 52.6 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | K130 | K130-G132 PolarHBondContact O-N 2.92Š|
| 133 | L | 57.6 | Low | 55.6 | Low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | | | trans | -129.4 | 111.1 | 151.7 | -66.9 | 173.4 | 0 | 0 | 0 | 108.3 | Q131 | Q131-L133 PolarHBondContact O-N 3.47Š|
| 134 | V | 60.9 | Low | 55.9 | Low | 132 Ų | 132 | 139.9 Ų | 139.9 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | -86.5 | 103 | 170.4 | 171.8 | 0 | 0 | 0 | 0 | 106.4 | N136 | V134-N136 PolarHBondContact O-N 3.01Š|
| 135 | E | 65.6 | Low | 55.9 | Low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -80.6 | 113.7 | 166.3 | -73.9 | 118.7 | -169.1 | 0 | 0 | 109.2 | Y137 | E135-Y137 PolarHBondContact O-N 3.02Å; E135-Y137 VanDerWaalsContact O-N 3.15Å |
| 136 | N | 57.6 | Low | 56.1 | Low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -68.3 | 108.6 | 174.7 | -73.9 | -31.3 | 0 | 0 | 0 | 109.9 | V134 | V134-N136 PolarHBondContact O-N 3.01Š|
| 137 | Y | 62.4 | Low | 55.9 | Low | 216 Ų | 216 | 140.7 Ų | 140.7 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | | | trans | -95.5 | 102.5 | 168.6 | -128.2 | -95.3 | 0 | 0 | 0 | 109 | E135 | E135-Y137 PolarHBondContact O-N 3.02Å; E135-Y137 VanDerWaalsContact O-N 3.15Å |
| 138 | F | 62.1 | Low | 55.8 | Low | 214 Ų | 214 | 142.8 Ų | 142.8 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | | | trans | -124.4 | 107.4 | 156.6 | -110.7 | -93.5 | 0 | 0 | 0 | 107.7 | | |
| 139 | G | 57.4 | Low | 55.4 | Low | 54 Ų | 54 | 141.4 Ų | 141.4 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | | | trans | -82.5 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 140 | S | 47.4 | Very low | 54.8 | Low | 125 Ų | 125 | 140.8 Ų | 140.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -169 | 106.1 | 134.2 | -77.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 141 | Q | 52 | Low | 54 | Low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -82.4 | 110.6 | 169 | -61 | -160.2 | 16.6 | 0 | 0 | 108.2 | T143 | Q141-T143 PolarHBondContact O-N 3.09Š|
| 142 | S | 47.6 | Very low | 53.3 | Low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | -88.1 | 95.7 | 163.8 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | T144 | S142-T144 PolarHBondContact O-N 3.17Š|
| 143 | T | 57.1 | Low | 52.6 | Low | 120 Ų | 120 | 137 Ų | 137 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -79.4 | 99.1 | 171.9 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | Q141 | Q141-T143 PolarHBondContact O-N 3.09Š|
| 144 | T | 47.1 | Very low | 51.6 | Low | 125 Ų | 125 | 134.5 Ų | 134.5 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | | | trans | -99.4 | 102.7 | 151 | 39.5 | 0 | 0 | 0 | 0 | 107.6 | S142 V146 | S142-T144 PolarHBondContact O-N 3.17Å; T144-V146 PolarHBondContact O-N 2.74Å |
| 145 | D | 52.7 | Low | 50.6 | Low | 136 Ų | 136 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -55 | 112.1 | 164.3 | 178.3 | 16.8 | 0 | 0 | 0 | 109 | S147 | D145-S147 PolarHBondContact OD1-N 3.21Å; D145-S147 PolarHBondContact OD1-OG 3.22Å; D145-S147 VanDerWaalsContact OD1-OG 3.04Å |
| 146 | V | 49.8 | Very low | 49.4 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | -121.2 | 96 | 161.4 | -128.3 | 0 | 0 | 0 | 0 | 105.5 | T144 | T144-V146 PolarHBondContact O-N 2.74Š|
| 147 | S | 51 | Low | 48.9 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | | | trans | -61.8 | 146.3 | -174.1 | -41.8 | 0 | 0 | 0 | 0 | 112.3 | D145 A149 | D145-S147 PolarHBondContact OD1-N 3.21Å; D145-S147 PolarHBondContact OD1-OG 3.22Å; D145-S147 VanDerWaalsContact OD1-OG 3.04Å; S147-A149 PolarHBondContact O-N 2.85Å |
| 148 | D | 50.8 | Low | 47.6 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 92% | 0.92 | 78% | 0.78 | S | S | * | * | | | trans | -50.1 | 122.3 | 170.8 | -69.9 | -50.9 | 0 | 0 | 0 | 112.4 | | |
| 149 | A | 49.9 | Very low | 46.4 | Very low | 102 Ų | 102 | 122.9 Ų | 122.9 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | | | trans | -117.4 | 105.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | S147 | S147-A149 PolarHBondContact O-N 2.85Š|
| 150 | C | 43.6 | Very low | 45.3 | Very low | 118 Ų | 118 | 124.9 Ų | 124.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -51.8 | 141.8 | 177.1 | -167.5 | 0 | 0 | 0 | 0 | 113 | I152 | C150-I152 PolarHBondContact O-N 2.94Š|
| 151 | A | 44.9 | Very low | 44.5 | Very low | 99 Ų | 99 | 127.3 Ų | 127.3 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -67 | 119.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 152 | I | 43.9 | Very low | 43.9 | Very low | 158 Ų | 158 | 126.8 Ų | 126.8 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -133.9 | 120.8 | 162.6 | -58 | 178.3 | 0 | 0 | 0 | 108.9 | C150 | C150-I152 PolarHBondContact O-N 2.94Š|
| 153 | T | 43.7 | Very low | 43.2 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | -62.6 | 147.1 | 175 | -46.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 154 | C | 36.7 | Very low | 42 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 64% | 0.635 | 77% | 0.768 | S | S | * | * | | | trans | 116.7 | 131.1 | 146.5 | -59.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 155 | H | 39.9 | Very low | 41.7 | Very low | 175 Ų | 175 | 127.8 Ų | 127.8 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 94.3 | 104.6 | 157.2 | -54.3 | -67.8 | 0 | 0 | 0 | 118.9 | | |
| 156 | S | 39.9 | Very low | 41.2 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -76.9 | 138.3 | 142.9 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 157 | P | 46.3 | Very low | 40.4 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | | | | -145.1 | 141.6 | 105.7 | 33.6 | -16.1 | 0 | 0 | 0 | 115.4 | | |
| 158 | V | 35.4 | Very low | 39.8 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | trans | 36.1 | 117.3 | 136.2 | -167.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 159 | S | 37.3 | Very low | 39.1 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | 154.7 | 100.2 | 122.3 | -175.5 | 0 | 0 | 0 | 0 | 110 | | |
| 160 | S | 33.5 | Very low | 38.8 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | | 99.1 | 136.4 | 85.5 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 161 | Q | 32.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | trans | 82.6 | 124.3 | 163.7 | -126.2 | 141.2 | -23.3 | 0 | 0 | 115.3 | | |
| 162 | E | 38.2 | Very low | 38.2 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | cis | -156.7 | 150.5 | 28.7 | -154.8 | 163.1 | -172.1 | 0 | 0 | 111.1 | | |
| 163 | T | 33.8 | Very low | 37.9 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -85.7 | 163.3 | -170.9 | 45.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 164 | C | 32 | Very low | 37.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | | | trans | 76.4 | 130 | 160.7 | -103.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 165 | D | 39.2 | Very low | 37.6 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | | | cis | -152.6 | 167.2 | 47.6 | -101.2 | -44.7 | 0 | 0 | 0 | 116 | | |
| 166 | K | 43.5 | Very low | 37.3 | Very low | 189 Ų | 189 | 135.7 Ų | 135.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | -50.7 | 143.1 | -167.5 | -144.1 | 86.1 | 84.1 | -164.1 | 0 | 115.4 | | |
| 167 | G | 33.6 | Very low | 37.3 | Very low | 58 Ų | 58 | 140 Ų | 140 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | trans | -76.1 | -178.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 168 | I | 37.3 | Very low | 37.1 | Very low | 165 Ų | 165 | 143.6 Ų | 143.6 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | | | trans | 101.3 | 131.7 | 167.9 | 84.6 | 167.2 | 0 | 0 | 0 | 118.7 | | |
| 169 | S | 36.3 | Very low | 37.7 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | | | trans | 79.1 | 109.4 | 150.1 | 59.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 170 | D | 43.1 | Very low | 38.4 | Very low | 153 Ų | 153 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | | 25.7 | 122.9 | 123.8 | -62.2 | -27.1 | 0 | 0 | 0 | 118.2 | | |
| 171 | L | 35.3 | Very low | 39.4 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | | -172.6 | 145.3 | 117.1 | -104.4 | 154.4 | 0 | 0 | 0 | 112.2 | | |
| 172 | Q | 41.9 | Very low | 40.5 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -43.6 | 138.8 | 169.8 | -61.6 | 164.6 | -91.3 | 0 | 0 | 113.8 | | |
| 173 | Q | 37.4 | Very low | 41.7 | Very low | 177 Ų | 177 | 153.4 Ų | 153.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | -156.4 | 96 | 145.7 | -154.7 | 168.9 | 23.1 | 0 | 0 | 106.2 | | |
| 174 | E | 38.1 | Very low | 43.1 | Very low | 150 Ų | 150 | 155.3 Ų | 155.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | | 72.4 | 128.2 | 88.3 | -162.4 | -174.9 | 179.4 | 0 | 0 | 112.7 | | |
| 175 | Q | 36.3 | Very low | 44.9 | Very low | 175 Ų | 175 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 97.8 | 113.5 | 154.7 | -97.5 | 168.6 | 15.6 | 0 | 0 | 120.9 | | |
| 176 | G | 32.1 | Very low | 46.6 | Very low | 70 Ų | 70 | 159.4 Ų | 159.4 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | 100.7 | 115.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 177 | K | 41.7 | Very low | 48.2 | Very low | 201 Ų | 201 | 156.3 Ų | 156.3 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | cis | -150.1 | 147.2 | 20.2 | -73.9 | 175.9 | 175.2 | 178.6 | 0 | 109.3 | E179 | K177-E179 PolarHBondContact O-N 3.1Š|
| 178 | E | 40.2 | Very low | 50.2 | Low | 184 Ų | 184 | 162.3 Ų | 162.3 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -40.7 | 119.5 | 159.5 | -65.5 | 152.7 | 156.2 | 0 | 0 | 110 | | |
| 179 | E | 48.8 | Very low | 51.7 | Low | 191 Ų | 191 | 161 Ų | 161 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -89.7 | 105 | 144.8 | -75.4 | -166.8 | 166.5 | 0 | 0 | 104.6 | K177 E181 | K177-E179 PolarHBondContact O-N 3.1Å; E179-E181 PolarHBondContact O-N 3.1Å; E179-E181 VanDerWaalsContact O-N 3.16Å |
| 180 | E | 52.3 | Low | 53.7 | Low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -46.4 | 118 | 166.6 | -79.7 | 172.1 | 133.2 | 0 | 0 | 108.1 | E182 | E180-E182 PolarHBondContact O-N 2.88Š|
| 181 | E | 53.8 | Low | 54.8 | Low | 184 Ų | 184 | 163.1 Ų | 163.1 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -62.2 | 97.1 | 149.7 | -66.4 | -158.7 | 169.7 | 0 | 0 | 105 | E179 D183 | E179-E181 PolarHBondContact O-N 3.1Å; E179-E181 VanDerWaalsContact O-N 3.16Å; E181-D183 PolarHBondContact O-N 2.78Å |
| 182 | E | 56.2 | Low | 56.6 | Low | 181 Ų | 181 | 163.1 Ų | 163.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | | | trans | -61.8 | 92.9 | 166.9 | -165.9 | 178.1 | -166.3 | 0 | 0 | 105.6 | E180 Q184 | E180-E182 PolarHBondContact O-N 2.88Å; E182-Q184 PolarHBondContact O-N 2.87Å |
| 183 | D | 63 | Low | 58.1 | Low | 151 Ų | 151 | 162.5 Ų | 162.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -52.1 | 105 | 175.7 | -139.8 | 4.2 | 0 | 0 | 0 | 105.8 | E181 E185 | E181-D183 PolarHBondContact O-N 2.78Å; D183-E185 PolarHBondContact O-N 3.01Å |
| 184 | Q | 63.6 | Low | 59.5 | Low | 167 Ų | 167 | 162.1 Ų | 162.1 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -61.3 | 106.5 | 179.6 | -71.7 | -178.9 | 38.5 | 0 | 0 | 107 | E182 M186 | E182-Q184 PolarHBondContact O-N 2.87Å; Q184-M186 VanDerWaalsContact C-N 3.33Å; Q184-M186 PolarHBondContact O-N 2.74Å |
| 185 | E | 70.3 | Confident | 60.7 | Low | 183 Ų | 183 | 160.1 Ų | 160.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -61.5 | 98.4 | 174.3 | -172.6 | 179.4 | -171.1 | 0 | 0 | 108 | D183 V187 | D183-E185 PolarHBondContact O-N 3.01Å; E185-V187 PolarHBondContact O-N 3.15Å |
| 186 | M | 74.3 | Confident | 61.8 | Low | 157 Ų | 157 | 159.1 Ų | 159.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -66.9 | 107.8 | 176.4 | -64.6 | -65.2 | -74.6 | 0 | 0 | 107.7 | Q184 Q188 | Q184-M186 VanDerWaalsContact C-N 3.33Å; Q184-M186 PolarHBondContact O-N 2.74Å; M186-Q188 PolarHBondContact O-N 2.94Å |
| 187 | V | 75.9 | Confident | 62.8 | Low | 123 Ų | 123 | 165.3 Ų | 165.3 | 75% | 0.745 | 81% | 0.809 | S | S | * | * | | | trans | -60 | 108.2 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | E185 N189 | E185-V187 PolarHBondContact O-N 3.15Å; V187-N189 PolarHBondContact O-N 3.1Å; V187-N189 VanDerWaalsContact O-N 3.13Å |
| 188 | Q | 75.6 | Confident | 63.5 | Low | 185 Ų | 185 | 160.3 Ų | 160.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -77.4 | 101.5 | -179.8 | -156.3 | 168 | 14.7 | 0 | 0 | 108.5 | M186 G190 | M186-Q188 PolarHBondContact O-N 2.94Å; Q188-G190 VanDerWaalsContact C-N 3.35Å; Q188-G190 PolarHBondContact O-N 3.15Å |
| 189 | N | 70.4 | Confident | 64.5 | Low | 138 Ų | 138 | 156.2 Ų | 156.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -67.5 | 96.2 | 170.6 | -67.4 | -35.1 | 0 | 0 | 0 | 108.4 | V187 Y191 | V187-N189 PolarHBondContact O-N 3.1Å; V187-N189 VanDerWaalsContact O-N 3.13Å; N189-Y191 PolarHBondContact O-N 3.03Å |
| 190 | G | 78 | Confident | 64.5 | Low | 71 Ų | 71 | 152.7 Ų | 152.7 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | | | trans | -64.6 | 112.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q188 H192 | Q188-G190 VanDerWaalsContact C-N 3.35Å; Q188-G190 PolarHBondContact O-N 3.15Å; G190-H192 PolarHBondContact O-N 3.49Å |
| 191 | Y | 65.6 | Low | 64.6 | Low | 225 Ų | 225 | 152.3 Ų | 152.3 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | trans | -64.8 | 112.3 | 158.5 | -89.9 | -94.8 | 0 | 0 | 0 | 107 | N189 E193 | N189-Y191 PolarHBondContact O-N 3.03Å; Y191-E193 PolarHBondContact O-N 3.38Å; Y191-E193 VanDerWaalsContact O-N 3.17Å |
| 192 | H | 73.3 | Confident | 64.2 | Low | 157 Ų | 157 | 145.5 Ų | 145.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -72.8 | 102.7 | 164.3 | -176.6 | 14.2 | 0 | 0 | 0 | 106.7 | G190 E194 | G190-H192 PolarHBondContact O-N 3.49Å; H192-E194 PolarHBondContact O-N 3.07Å; H192-E194 VanDerWaalsContact O-N 3.16Å |
| 193 | E | 73.4 | Confident | 63.9 | Low | 165 Ų | 165 | 143.6 Ų | 143.6 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | -65.7 | 111.3 | 160.6 | -74.2 | -176.1 | 172 | 0 | 0 | 106.4 | Y191 T195 | Y191-E193 PolarHBondContact O-N 3.38Å; Y191-E193 VanDerWaalsContact O-N 3.17Å; E193-T195 VanDerWaalsContact C-N 3.29Å; E193-T195 PolarHBondContact O-N 2.72Å |
| 194 | E | 66.3 | Low | 63.1 | Low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -62.5 | 101.3 | 161.8 | -67.8 | -174 | 151.1 | 0 | 0 | 105.5 | H192 D196 | H192-E194 PolarHBondContact O-N 3.07Å; H192-E194 VanDerWaalsContact O-N 3.16Å; E194-D196 PolarHBondContact O-N 3.1Å |
| 195 | T | 62.8 | Low | 62.6 | Low | 109 Ų | 109 | 139 Ų | 139 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | | | trans | -56.3 | 109.3 | 172.1 | -42.6 | 0 | 0 | 0 | 0 | 106.7 | E193 F197 | E193-T195 VanDerWaalsContact C-N 3.29Å; E193-T195 PolarHBondContact O-N 2.72Å; T195-F197 VanDerWaalsContact C-N 3.34Å; T195-F197 PolarHBondContact O-N 3.05Å |
| 196 | D | 59.5 | Low | 61.4 | Low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -51.4 | 108.6 | 159.3 | -82.4 | -33.5 | 0 | 0 | 0 | 105.5 | E194 S198 | E194-D196 PolarHBondContact O-N 3.1Å; D196-S198 PolarHBondContact O-N 3.15Å |
| 197 | F | 55 | Low | 60.3 | Low | 200 Ų | 200 | 135.8 Ų | 135.8 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | trans | -59.2 | 92.3 | 172.3 | -71.7 | -88.7 | 0 | 0 | 0 | 106.4 | T195 A199 | T195-F197 VanDerWaalsContact C-N 3.34Å; T195-F197 PolarHBondContact O-N 3.05Å; F197-A199 PolarHBondContact O-N 3.06Å |
| 198 | S | 56 | Low | 58.7 | Low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | -56.9 | 110.5 | 163.8 | 62.1 | 0 | 0 | 0 | 0 | 104.4 | D196 T200 | D196-S198 PolarHBondContact O-N 3.15Å; S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 3.01Å |
| 199 | A | 60.6 | Low | 57.2 | Low | 99 Ų | 99 | 138.4 Ų | 138.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -48.9 | 99 | 173.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | F197 D201 | F197-A199 PolarHBondContact O-N 3.06Å; A199-D201 PolarHBondContact O-N 3.27Å |
| 200 | T | 48.8 | Very low | 55.9 | Low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | -71.6 | 92.7 | 170.3 | 48.7 | 0 | 0 | 0 | 0 | 105.4 | S198 G202 | S198-T200 VanDerWaalsContact C-N 3.28Å; S198-T200 PolarHBondContact O-N 3.01Å; T200-G202 PolarHBondContact O-N 2.93Å |
| 201 | D | 55 | Low | 54.1 | Low | 170 Ų | 170 | 137.1 Ų | 137.1 | 91% | 0.909 | 76% | 0.756 | S | S | * | * | | | trans | -60.2 | 89.6 | 140.5 | -173.8 | 25.3 | 0 | 0 | 0 | 106.1 | A199 | A199-D201 PolarHBondContact O-N 3.27Š|
| 202 | G | 44.5 | Very low | 52.5 | Low | 40 Ų | 40 | 133.3 Ų | 133.3 | 41% | 0.412 | 75% | 0.751 | S | S | . | * | | | trans | -160.3 | 81.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | T200 V204 | T200-G202 PolarHBondContact O-N 2.93Å; G202-V204 PolarHBondContact O-N 3.35Å |
| 203 | T | 50.8 | Low | 50.8 | Low | 141 Ų | 141 | 134.8 Ų | 134.8 | 87% | 0.865 | 76% | 0.758 | S | S | * | * | | | trans | -44.8 | 102.2 | 167.7 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 204 | V | 45.2 | Very low | 49.1 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -132.7 | 94.4 | 163.9 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | G202 V206 | G202-V204 PolarHBondContact O-N 3.35Å; V204-V206 HydrophobicContact CG1-CG2 3.7Å; V204-V206 PolarHBondContact O-N 3.09Å; V204-V206 VanDerWaalsContact O-N 3.17Å |
| 205 | S | 54.1 | Low | 47.7 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -52.2 | 113.4 | 159.3 | 144.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 206 | V | 43.9 | Very low | 46.4 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 58% | 0.576 | 77% | 0.768 | S | S | * | * | | | trans | -127.5 | 96.2 | 159.3 | -164.6 | 0 | 0 | 0 | 0 | 108 | V204 Y208 | V204-V206 HydrophobicContact CG1-CG2 3.7Å; V204-V206 PolarHBondContact O-N 3.09Å; V204-V206 VanDerWaalsContact O-N 3.17Å; V206-Y208 HydrophobicContact CG1-CD2 3.21Å; V206-Y208 HydrophobicContact CG1-CE2 3.3Å; V206-Y208 HydrophobicContact CG1-CG 4.41Å; V206-Y208 PolarHBondContact O-N 2.99Å |
| 207 | H | 51.2 | Low | 45.6 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 82% | 0.824 | 76% | 0.762 | S | S | * | * | | | trans | -73.8 | 97.3 | 170.7 | -148.7 | -78.3 | 0 | 0 | 0 | 107.9 | | |
| 208 | Y | 42.6 | Very low | 44.9 | Very low | 208 Ų | 208 | 130.6 Ų | 130.6 | 82% | 0.816 | 76% | 0.76 | S | S | * | * | | | trans | -126.2 | 92.3 | 161.5 | -79.5 | -72.1 | 0 | 0 | 0 | 109.1 | V206 | V206-Y208 HydrophobicContact CG1-CD2 3.21Å; V206-Y208 HydrophobicContact CG1-CE2 3.3Å; V206-Y208 HydrophobicContact CG1-CG 4.41Å; V206-Y208 PolarHBondContact O-N 2.99Å |
| 209 | I | 44.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | | | trans | -122.5 | 109.1 | 146.4 | -65.4 | -170.6 | 0 | 0 | 0 | 106.5 | | |
| 210 | S | 42.2 | Very low | 43.6 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -52.7 | 133.3 | 166.8 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 211 | G | 39.8 | Very low | 43.4 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -69.7 | 135.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 212 | N | 33.6 | Very low | 43.1 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | | -164.2 | 117.7 | 129 | 52 | 6.9 | 0 | 0 | 0 | 111.2 | | |
| 213 | E | 36.8 | Very low | 43.2 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | trans | 46.9 | 116.5 | 141.2 | -71.5 | 176.1 | 153.9 | 0 | 0 | 121.8 | | |
| 214 | L | 37.8 | Very low | 43.3 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 93% | 0.927 | 80% | 0.796 | S | S | * | * | | | | 98.3 | 102.9 | 124 | -160.5 | 70.9 | 0 | 0 | 0 | 118.7 | | |
| 215 | G | 35.9 | Very low | 43.7 | Very low | 65 Ų | 65 | 151 Ų | 151 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | | | trans | 101.5 | 126.5 | 132.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 216 | E | 36.1 | Very low | 43.6 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | | | trans | 54.1 | 110.3 | 157.9 | -79.6 | 175.7 | 102.5 | 0 | 0 | 117.4 | | |
| 217 | G | 43 | Very low | 44.2 | Very low | 67 Ų | 67 | 150.9 Ų | 150.9 | 69% | 0.691 | 80% | 0.803 | S | S | * | * | | | | 71.3 | 76.8 | 63.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 218 | R | 41.2 | Very low | 44.4 | Very low | 217 Ų | 217 | 148.7 Ų | 148.7 | 82% | 0.819 | 80% | 0.797 | S | S | * | * | | | trans | -161.7 | 120.1 | 153.7 | -98.6 | 136.2 | -161 | -96.4 | 3.5 | 110.3 | E220 | R218-E220 PolarHBondContact O-N 3.26Š|
| 219 | H | 41.9 | Very low | 45 | Very low | 195 Ų | 195 | 149.1 Ų | 149.1 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | | | trans | -60.2 | 113.8 | 167.9 | -83.2 | -126.5 | 0 | 0 | 0 | 109.2 | Q221 | H219-Q221 PolarHBondContact O-N 3.3Š|
| 220 | E | 47 | Very low | 45.6 | Very low | 190 Ų | 190 | 150 Ų | 150 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | | | trans | -79.6 | 112.6 | 170.7 | -67.8 | 175.8 | 168.3 | 0 | 0 | 108.6 | R218 S222 | R218-E220 PolarHBondContact O-N 3.26Å; E220-S222 PolarHBondContact O-N 3.38Å; E220-S222 VanDerWaalsContact O-N 3.13Å |
| 221 | Q | 44.3 | Very low | 46.2 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | trans | -65.4 | 106.4 | 174.1 | -68.3 | 174.7 | 5.5 | 0 | 0 | 108.6 | H219 E223 | H219-Q221 PolarHBondContact O-N 3.3Å; Q221-E223 PolarHBondContact O-N 2.92Å |
| 222 | S | 48 | Very low | 47 | Very low | 119 Ų | 119 | 151.2 Ų | 151.2 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -75.8 | 103 | 168.6 | -173 | 0 | 0 | 0 | 0 | 108.7 | E220 K224 | E220-S222 PolarHBondContact O-N 3.38Å; E220-S222 VanDerWaalsContact O-N 3.13Å; S222-K224 PolarHBondContact O-N 3.32Å |
| 223 | E | 47.6 | Very low | 48 | Very low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -66.3 | 113.1 | 171 | -171.9 | 177.5 | 164.5 | 0 | 0 | 109.1 | Q221 L225 | Q221-E223 PolarHBondContact O-N 2.92Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 WeakPolarHBondContact O-CD2 3.41Å; E223-L225 PolarHBondContact O-N 3.47Å |
| 224 | K | 51.8 | Low | 48.8 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -74.8 | 79.3 | 178 | -178.5 | 167.2 | 159.8 | -178.2 | 0 | 109.5 | S222 S226 | S222-K224 PolarHBondContact O-N 3.32Å; K224-S226 PolarHBondContact O-N 3.49Å |
| 225 | L | 53.6 | Low | 49.8 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -61.7 | 119.9 | 167.3 | 30.7 | 132.7 | 0 | 0 | 0 | 109.7 | E223 S227 | E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 WeakPolarHBondContact O-CD2 3.41Å; E223-L225 PolarHBondContact O-N 3.47Å; L225-S227 PolarHBondContact O-N 3.04Å |
| 226 | S | 52.6 | Low | 51.2 | Low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | | | trans | -63.5 | 113.6 | -178.6 | 56.5 | 0 | 0 | 0 | 0 | 111.2 | K224 N228 | K224-S226 PolarHBondContact O-N 3.49Å; S226-N228 PolarHBondContact O-N 3.3Å |
| 227 | S | 56.2 | Low | 52.3 | Low | 109 Ų | 109 | 141.6 Ų | 141.6 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -72.2 | 51.7 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 112.7 | L225 | L225-S227 PolarHBondContact O-N 3.04Š|
| 228 | N | 55.5 | Low | 53.3 | Low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -117.2 | 14.4 | -178.9 | -67.2 | -25.2 | 0 | 0 | 0 | 113.7 | S226 | S226-N228 PolarHBondContact O-N 3.3Š|
| 229 | Y | 54.2 | Low | 54.1 | Low | 216 Ų | 216 | 138.9 Ų | 138.9 | 85% | 0.847 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -124.3 | 17.3 | -175.6 | -109.8 | -89 | 0 | 0 | 0 | 115.6 | | |
| 230 | L | 58.5 | Low | 54.8 | Low | 173 Ų | 173 | 134.5 Ų | 134.5 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -115.9 | 27.2 | 174.5 | -68.7 | 179.2 | 0 | 0 | 0 | 113.9 | | |
| 231 | S | 55.4 | Low | 55.6 | Low | 114 Ų | 114 | 131 Ų | 131 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -102.2 | 39.5 | 166.5 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | G233 | S231-G233 PolarHBondContact O-N 3.27Š|
| 232 | A | 54.8 | Low | 56.1 | Low | 93 Ų | 93 | 128.8 Ų | 128.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -87.1 | 95 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 233 | G | 56.2 | Low | 56.7 | Low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | 41.3 | 87.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | S231 | S231-G233 PolarHBondContact O-N 3.27Š|
| 234 | V | 53.9 | Low | 57.2 | Low | 122 Ų | 122 | 122.2 Ų | 122.2 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -135.4 | 95.6 | 141 | -172.6 | 0 | 0 | 0 | 0 | 107.3 | V236 | V234-V236 HydrophobicContact CG1-CG1 3.68Å; V234-V236 PolarHBondContact O-N 3.3Å |
| 235 | T | 58.8 | Low | 57.4 | Low | 141 Ų | 141 | 119.9 Ų | 119.9 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | | | trans | -70 | 86.2 | 164.4 | -50 | 0 | 0 | 0 | 0 | 106.9 | | |
| 236 | V | 64.3 | Low | 57.5 | Low | 105 Ų | 105 | 117.9 Ų | 117.9 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 133.8 | 168.5 | -66.3 | 0 | 0 | 0 | 0 | 108 | V234 A238 | V234-V236 HydrophobicContact CG1-CG1 3.68Å; V234-V236 PolarHBondContact O-N 3.3Å; V236-A238 PolarHBondContact O-N 2.83Å |
| 237 | P | 59.6 | Low | 57.7 | Low | 117 Ų | 117 | 121.9 Ų | 121.9 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 136 | 172.7 | -20 | 30.9 | 0 | 0 | 0 | 109.1 | V239 | P237-V239 PolarHBondContact O-N 3.49Å; P237-V239 VanDerWaalsContact O-N 3.09Å |
| 238 | A | 64.1 | Low | 57.4 | Low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 120.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | V236 C240 | V236-A238 PolarHBondContact O-N 2.83Å; A238-C240 PolarHBondContact O-N 2.67Å |
| 239 | V | 58.2 | Low | 57.3 | Low | 131 Ų | 131 | 121.7 Ų | 121.7 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 125.2 | 173.7 | 176.4 | 0 | 0 | 0 | 0 | 107.9 | P237 T241 | P237-V239 PolarHBondContact O-N 3.49Å; P237-V239 VanDerWaalsContact O-N 3.09Å; V239-T241 PolarHBondContact O-N 3.09Å |
| 240 | C | 55.9 | Low | 57.2 | Low | 102 Ų | 102 | 114.6 Ų | 114.6 | 69% | 0.689 | 75% | 0.754 | S | S | * | * | | | trans | -55.4 | 108.2 | 178.2 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | A238 | A238-C240 PolarHBondContact O-N 2.67Š|
| 241 | T | 64 | Low | 56.9 | Low | 118 Ų | 118 | 113.7 Ų | 113.7 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | | | trans | -62 | 144.9 | 166.9 | 52.5 | 0 | 0 | 0 | 0 | 108.9 | V239 G243 C244 | V239-T241 PolarHBondContact O-N 3.09Å; T241-G243 PolarHBondContact O-N 3.09Å; T241-C244 PolarHBondContact O-SG 3.38Å |
| 242 | S | 55.6 | Low | 56.8 | Low | 144 Ų | 144 | 118.7 Ų | 118.7 | 100% | 1.007 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 71.2 | -175 | -167.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 243 | G | 59.5 | Low | 56.5 | Low | 58 Ų | 58 | 122.9 Ų | 122.9 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.2 | -0.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T241 | T241-G243 PolarHBondContact O-N 3.09Š|
| 244 | C | 59.3 | Low | 56.1 | Low | 87 Ų | 87 | 123.3 Ų | 123.3 | 59% | 0.588 | 75% | 0.746 | S | S | * | * | | | trans | -90.3 | 2.9 | -174.3 | -48.6 | 0 | 0 | 0 | 0 | 114.7 | T241 S246 | T241-C244 PolarHBondContact O-SG 3.38Å; C244-S246 VanDerWaalsContact C-N 3.32Å; C244-S246 PolarHBondContact O-N 3.26Å |
| 245 | L | 56.1 | Low | 55.7 | Low | 151 Ų | 151 | 123.6 Ų | 123.6 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -94.8 | 53.6 | 177.9 | -61 | -177.4 | 0 | 0 | 0 | 111.9 | | |
| 246 | S | 55.3 | Low | 55.1 | Low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | | | trans | -96 | 92.6 | 164.9 | -62.7 | 0 | 0 | 0 | 0 | 108.1 | C244 | C244-S246 VanDerWaalsContact C-N 3.32Å; C244-S246 PolarHBondContact O-N 3.26Å |
| 247 | F | 56.1 | Low | 54.4 | Low | 174 Ų | 174 | 121.5 Ų | 121.5 | 76% | 0.763 | 74% | 0.741 | S | S | * | * | | | trans | -69.7 | 130.8 | 166.1 | -66.6 | -80.1 | 0 | 0 | 0 | 108.2 | S249 | F247-S249 PolarHBondContact O-N 2.96Å; F247-S249 VanDerWaalsContact O-N 3.09Å |
| 248 | P | 50.9 | Low | 54.1 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | trans | -59.3 | 122.1 | 165.8 | 24.1 | -29.2 | 0 | 0 | 0 | 106.7 | A250 | P248-A250 PolarHBondContact O-N 3.38Š|
| 249 | S | 53.3 | Low | 53.2 | Low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | | | trans | -65.9 | 80.3 | 170.8 | 57.9 | 0 | 0 | 0 | 0 | 107.5 | F247 L251 | F247-S249 PolarHBondContact O-N 2.96Å; F247-S249 VanDerWaalsContact O-N 3.09Å; S249-L251 PolarHBondContact O-N 2.92Å |
| 250 | A | 50.6 | Low | 52.6 | Low | 68 Ų | 68 | 129.5 Ų | 129.5 | 56% | 0.562 | 75% | 0.747 | S | S | * | * | | | trans | -57.8 | 118.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | P248 R252 | P248-A250 PolarHBondContact O-N 3.38Å; A250-R252 VanDerWaalsContact C-N 3.26Å; A250-R252 PolarHBondContact O-N 3.13Å |
| 251 | L | 52.1 | Low | 52.3 | Low | 153 Ų | 153 | 130 Ų | 130 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | trans | -55.3 | 95.2 | 171.1 | -172.8 | 75 | 0 | 0 | 0 | 106.7 | S249 E253 | S249-L251 PolarHBondContact O-N 2.92Å; L251-E253 HydrophobicContact CD2-CG 4.49Å; L251-E253 PolarHBondContact O-N 3.05Å |
| 252 | R | 53.5 | Low | 51.8 | Low | 220 Ų | 220 | 135 Ų | 135 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | trans | -71.4 | 85.8 | 171.8 | -69.7 | -73.1 | -179.7 | 180 | -2.4 | 105.8 | A250 S254 | A250-R252 VanDerWaalsContact C-N 3.26Å; A250-R252 PolarHBondContact O-N 3.13Å; R252-S254 PolarHBondContact O-N 3.19Å |
| 253 | E | 48.5 | Very low | 51.8 | Low | 180 Ų | 180 | 132.5 Ų | 132.5 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | | | trans | -64.7 | 81.9 | 153 | -84.3 | -176.7 | 150.8 | 0 | 0 | 107.1 | L251 | L251-E253 HydrophobicContact CD2-CG 4.49Å; L251-E253 PolarHBondContact O-N 3.05Å |
| 254 | S | 49.3 | Very low | 51.9 | Low | 79 Ų | 79 | 138.9 Ų | 138.9 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | | | trans | -90.4 | 142.1 | 155.9 | 61.9 | 0 | 0 | 0 | 0 | 107.2 | R252 C256 | R252-S254 PolarHBondContact O-N 3.19Å; S254-C256 PolarHBondContact O-N 2.93Å |
| 255 | P | 45.5 | Very low | 51.9 | Low | 128 Ų | 128 | 140.1 Ų | 140.1 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | -70.9 | 84 | 172.6 | 29.5 | -30.2 | 0 | 0 | 0 | 107.8 | V257 | P255-V257 VanDerWaalsContact C-N 3.33Å; P255-V257 PolarHBondContact O-N 2.82Å |
| 256 | C | 46.4 | Very low | 51.5 | Low | 93 Ų | 93 | 139.2 Ų | 139.2 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | | | trans | -69.9 | 90.7 | 170.9 | 164.3 | 0 | 0 | 0 | 0 | 107.7 | S254 K258 | S254-C256 PolarHBondContact O-N 2.93Å; C256-K258 PolarHBondContact O-N 2.87Å |
| 257 | V | 48.8 | Very low | 51.7 | Low | 109 Ų | 109 | 138.8 Ų | 138.8 | 66% | 0.661 | 75% | 0.754 | S | S | * | * | | | trans | -70.4 | 107.4 | 161.5 | -173.2 | 0 | 0 | 0 | 0 | 106.4 | P255 Y259 | P255-V257 VanDerWaalsContact C-N 3.33Å; P255-V257 PolarHBondContact O-N 2.82Å; V257-Y259 HydrophobicContact CG1-CD2 3.72Å; V257-Y259 HydrophobicContact CG1-CE2 3.45Å; V257-Y259 VanDerWaalsContact CG1-CE2 3.45Å; V257-Y259 PolarHBondContact O-N 3.16Å |
| 258 | K | 52.1 | Low | 51.9 | Low | 184 Ų | 184 | 137.4 Ų | 137.4 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | | | trans | -62.4 | 97.9 | 178.4 | -69.1 | 179.4 | -179.2 | 173.2 | 0 | 110.5 | C256 | C256-K258 PolarHBondContact O-N 2.87Š|
| 259 | Y | 47 | Very low | 52 | Low | 204 Ų | 204 | 137.2 Ų | 137.2 | 80% | 0.8 | 75% | 0.75 | S | S | * | * | | | trans | -126.1 | 93.4 | 153.6 | -69.1 | -75.7 | 0 | 0 | 0 | 108.6 | V257 S261 | V257-Y259 HydrophobicContact CG1-CD2 3.72Å; V257-Y259 HydrophobicContact CG1-CE2 3.45Å; V257-Y259 VanDerWaalsContact CG1-CE2 3.45Å; V257-Y259 PolarHBondContact O-N 3.16Å; Y259-S261 PolarHBondContact O-N 3.19Å; Y259-S261 VanDerWaalsContact O-N 3.1Å |
| 260 | S | 44.9 | Very low | 52.2 | Low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | | | trans | -73.7 | 94 | 170.7 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 261 | S | 48.8 | Very low | 52.6 | Low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -104.8 | 103.1 | 165.8 | -155.7 | 0 | 0 | 0 | 0 | 109.2 | Y259 S263 | Y259-S261 PolarHBondContact O-N 3.19Å; Y259-S261 VanDerWaalsContact O-N 3.1Å; S261-S263 PolarHBondContact O-N 2.92Å; S261-S263 VanDerWaalsContact O-N 3.15Å |
| 262 | R | 54.1 | Low | 52.5 | Low | 223 Ų | 223 | 144.1 Ų | 144.1 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | | | trans | -79 | 91.8 | -178.2 | -175.7 | 176 | 161.5 | -171.3 | -5.2 | 108.7 | | |
| 263 | S | 55.9 | Low | 52.2 | Low | 90 Ų | 90 | 138.8 Ų | 138.8 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | trans | -111 | 112.1 | 167.8 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | S261 V265 | S261-S263 PolarHBondContact O-N 2.92Å; S261-S263 VanDerWaalsContact O-N 3.15Å; S263-V265 PolarHBondContact O-N 2.95Å |
| 264 | K | 61.4 | Low | 52.2 | Low | 193 Ų | 193 | 135.9 Ų | 135.9 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | -73.1 | 106.5 | 169.5 | -75.1 | -167.9 | 174.3 | -174.2 | 0 | 107.2 | | |
| 265 | V | 59.2 | Low | 52.2 | Low | 112 Ų | 112 | 137.7 Ų | 137.7 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | trans | -114.9 | 130 | 170.2 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | S263 | S263-V265 PolarHBondContact O-N 2.95Š|
| 266 | D | 48.2 | Very low | 52.3 | Low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -62.5 | 141.3 | -174.8 | -150.1 | -11.9 | 0 | 0 | 0 | 111.9 | I268 | D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.87Å; D266-I268 VanDerWaalsContact O-N 3.09Å |
| 267 | A | 59.7 | Low | 52.4 | Low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 18.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 268 | I | 59.9 | Low | 52.5 | Low | 146 Ų | 146 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -14.6 | -165 | -59.1 | 178.5 | 0 | 0 | 0 | 114.1 | D266 | D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.87Å; D266-I268 VanDerWaalsContact O-N 3.09Å |
| 269 | T | 53.7 | Low | 52.2 | Low | 112 Ų | 112 | 142.6 Ų | 142.6 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | trans | -123.6 | 99.2 | 173.2 | 51.9 | 0 | 0 | 0 | 0 | 110.7 | Q271 | T269-Q271 PolarHBondContact O-N 2.92Š|
| 270 | K | 56.9 | Low | 52.6 | Low | 206 Ų | 206 | 138.8 Ų | 138.8 | 90% | 0.896 | 77% | 0.768 | S | S | * | * | | | trans | -70.1 | 71.6 | 164.1 | -72.7 | -78.6 | -176.5 | 178.8 | 0 | 108.9 | | |
| 271 | Q | 57.7 | Low | 53 | Low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -104 | 125.2 | 158 | -72.4 | -96.7 | -70.2 | 0 | 0 | 106.2 | T269 S273 | T269-Q271 PolarHBondContact O-N 2.92Å; Q271-S273 PolarHBondContact O-N 2.97Å |
| 272 | P | 50.8 | Low | 53.3 | Low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -62.2 | 111.3 | 172.4 | 25.4 | -30.3 | 0 | 0 | 0 | 107.7 | S274 | P272-S274 PolarHBondContact O-N 2.78Å; P272-S274 VanDerWaalsContact O-N 3.1Å |
| 273 | S | 47.6 | Very low | 53.6 | Low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | | | trans | -62.1 | 115.2 | 172.2 | -52.2 | 0 | 0 | 0 | 0 | 108 | Q271 I275 | Q271-S273 PolarHBondContact O-N 2.97Å; S273-I275 PolarHBondContact O-N 3.17Å |
| 274 | S | 48 | Very low | 53.5 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | | | trans | -51.5 | 113.6 | 168.7 | -79.6 | 0 | 0 | 0 | 0 | 109.1 | P272 S276 | P272-S274 PolarHBondContact O-N 2.78Å; P272-S274 VanDerWaalsContact O-N 3.1Å; S274-S276 PolarHBondContact O-N 2.91Å; S274-S276 VanDerWaalsContact O-N 3.15Å |
| 275 | I | 49.6 | Very low | 53.3 | Low | 118 Ų | 118 | 132.9 Ų | 132.9 | 61% | 0.605 | 74% | 0.742 | S | S | * | * | | | trans | -72.4 | 108 | 166 | -61 | 173.6 | 0 | 0 | 0 | 106.5 | S273 Y277 | S273-I275 PolarHBondContact O-N 3.17Å; I275-Y277 VanDerWaalsContact C-N 3.29Å; I275-Y277 HydrophobicContact CB-CD2 3.93Å; I275-Y277 HydrophobicContact CB-CE2 3.69Å; I275-Y277 HydrophobicContact CD1-CE2 4.05Å; I275-Y277 HydrophobicContact CG1-CE2 4.48Å; I275-Y277 HydrophobicContact CG2-CD1 4.22Å; I275-Y277 HydrophobicContact CG2-CD2 3.33Å; I275-Y277 HydrophobicContact CG2-CE1 4.08Å; I275-Y277 HydrophobicContact CG2-CE2 3.16Å; I275-Y277 HydrophobicContact CG2-CG 3.87Å; I275-Y277 PolarHBondContact O-N 3.16Å |
| 276 | S | 46.5 | Very low | 53.2 | Low | 102 Ų | 102 | 137.5 Ų | 137.5 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | -73.1 | 85.8 | 166.1 | 47.3 | 0 | 0 | 0 | 0 | 109.1 | S274 N278 | S274-S276 PolarHBondContact O-N 2.91Å; S274-S276 VanDerWaalsContact O-N 3.15Å; S276-N278 PolarHBondContact O-N 3.32Å; S276-N278 VanDerWaalsContact O-N 3.09Å |
| 277 | Y | 48.6 | Very low | 53.9 | Low | 184 Ų | 184 | 138.8 Ų | 138.8 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | | | trans | -72.7 | 96.3 | 166.2 | -76.7 | -77 | 0 | 0 | 0 | 108.9 | I275 F279 | I275-Y277 VanDerWaalsContact C-N 3.29Å; I275-Y277 HydrophobicContact CB-CD2 3.93Å; I275-Y277 HydrophobicContact CB-CE2 3.69Å; I275-Y277 HydrophobicContact CD1-CE2 4.05Å; I275-Y277 HydrophobicContact CG1-CE2 4.48Å; I275-Y277 HydrophobicContact CG2-CD1 4.22Å; I275-Y277 HydrophobicContact CG2-CD2 3.33Å; I275-Y277 HydrophobicContact CG2-CE1 4.08Å; I275-Y277 HydrophobicContact CG2-CE2 3.16Å; I275-Y277 HydrophobicContact CG2-CG 3.87Å; I275-Y277 PolarHBondContact O-N 3.16Å; Y277-F279 PolarHBondContact O-N 3.22Å |
| 278 | N | 52.3 | Low | 53.8 | Low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | | | trans | -74.9 | 78.3 | 159.5 | -77.2 | -59.2 | 0 | 0 | 0 | 108.6 | S276 | S276-N278 PolarHBondContact O-N 3.32Å; S276-N278 VanDerWaalsContact O-N 3.09Å |
| 279 | F | 46 | Very low | 54.3 | Low | 174 Ų | 174 | 137.8 Ų | 137.8 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | | | trans | -95.2 | 94.3 | 161.3 | -131.7 | -89.7 | 0 | 0 | 0 | 107.6 | Y277 S281 | Y277-F279 PolarHBondContact O-N 3.22Å; F279-S281 PolarHBondContact O-N 3.27Å |
| 280 | S | 54.4 | Low | 55.2 | Low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | | | trans | -73.9 | 83.1 | 170.9 | -163.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 281 | S | 54.2 | Low | 56.2 | Low | 76 Ų | 76 | 137.5 Ų | 137.5 | 53% | 0.531 | 74% | 0.74 | S | S | . | * | | | trans | -133.1 | 81.6 | 160.3 | 58.9 | 0 | 0 | 0 | 0 | 107.4 | F279 T283 | F279-S281 PolarHBondContact O-N 3.27Å; S281-T283 VanDerWaalsContact C-N 3.26Å; S281-T283 PolarHBondContact O-N 2.91Å |
| 282 | S | 53.7 | Low | 56.6 | Low | 118 Ų | 118 | 135.5 Ų | 135.5 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -73.1 | 83.8 | 170.7 | -171 | 0 | 0 | 0 | 0 | 108.5 | S284 | S282-S284 PolarHBondContact O-N 2.74Š|
| 283 | T | 60.4 | Low | 57.4 | Low | 117 Ų | 117 | 137.6 Ų | 137.6 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | -81.3 | 105.9 | 157.9 | 39.9 | 0 | 0 | 0 | 0 | 107 | S281 W285 | S281-T283 VanDerWaalsContact C-N 3.26Å; S281-T283 PolarHBondContact O-N 2.91Å; T283-W285 PolarHBondContact O-N 2.69Å |
| 284 | S | 55.3 | Low | 58.3 | Low | 59 Ų | 59 | 140 Ų | 140 | 41% | 0.413 | 74% | 0.743 | S | S | . | * | | | trans | -60.1 | 117.1 | 172.3 | 43.4 | 0 | 0 | 0 | 0 | 108.7 | S282 Y286 E287 | S282-S284 PolarHBondContact O-N 2.74Å; S284-Y286 PolarHBondContact O-N 2.88Å; S284-E287 PolarHBondContact O-N 2.93Å; S284-E287 PolarHBondContact OG-OE2 2.93Å |
| 285 | W | 55.7 | Low | 59.1 | Low | 250 Ų | 250 | 141.9 Ų | 141.9 | 95% | 0.947 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -16.3 | 175.5 | -75 | 76.3 | 0 | 0 | 0 | 113.2 | T283 | T283-W285 PolarHBondContact O-N 2.69Š|
| 286 | Y | 57.9 | Low | 59.7 | Low | 208 Ų | 208 | 141 Ų | 141 | 82% | 0.816 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -23.2 | -179.2 | -155.2 | -102.2 | 0 | 0 | 0 | 114 | S284 N288 | S284-Y286 PolarHBondContact O-N 2.88Å; Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.27Å |
| 287 | E | 62.9 | Low | 60.5 | Low | 160 Ų | 160 | 142.7 Ų | 142.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -28.1 | -172.6 | -153 | 76.5 | -157.9 | 0 | 0 | 112.7 | S284 | S284-E287 PolarHBondContact O-N 2.93Å; S284-E287 PolarHBondContact OG-OE2 2.93Å |
| 288 | N | 57.7 | Low | 60.8 | Low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 14.1 | -171.7 | -137.8 | 1 | 0 | 0 | 0 | 113.7 | Y286 | Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.27Å |
| 289 | S | 70.7 | Confident | 61 | Low | 67 Ų | 67 | 139.1 Ų | 139.1 | 47% | 0.469 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -74.9 | 133 | 177.8 | -69 | 0 | 0 | 0 | 0 | 110.9 | K291 | S289-K291 PolarHBondContact O-N 2.93Š|
| 290 | P | 71.4 | Confident | 61.2 | Low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121.1 | 175.6 | -20.5 | 30.5 | 0 | 0 | 0 | 110.5 | | |
| 291 | K | 77.8 | Confident | 61.5 | Low | 188 Ų | 188 | 142.8 Ų | 142.8 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 128.4 | 177.9 | -67.1 | 174.9 | -177.1 | 171 | 0 | 109.4 | S289 Q293 | S289-K291 PolarHBondContact O-N 2.93Å; K291-Q293 PolarHBondContact O-N 3.21Å |
| 292 | P | 66.7 | Low | 61.9 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.2 | 173 | 24.8 | -30.6 | 0 | 0 | 0 | 109.4 | I294 | P292-I294 PolarHBondContact O-N 3.13Š|
| 293 | Q | 67.3 | Low | 62.4 | Low | 167 Ų | 167 | 147.9 Ų | 147.9 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | | | trans | -77 | 104.1 | 171.8 | -70.2 | -170.7 | -14.1 | 0 | 0 | 108.6 | K291 H295 | K291-Q293 PolarHBondContact O-N 3.21Å; Q293-H295 PolarHBondContact O-N 2.88Å |
| 294 | I | 66.6 | Low | 62.5 | Low | 159 Ų | 159 | 149.7 Ų | 149.7 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | -84.6 | 106.8 | 174.2 | -36.6 | 173 | 0 | 0 | 0 | 107 | P292 A296 | P292-I294 PolarHBondContact O-N 3.13Å; I294-A296 PolarHBondContact O-N 3.17Å |
| 295 | H | 64.8 | Low | 63 | Low | 157 Ų | 157 | 155.4 Ų | 155.4 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -76.3 | 114.1 | 168.3 | -73.4 | -80.4 | 0 | 0 | 0 | 108.7 | Q293 T297 | Q293-H295 PolarHBondContact O-N 2.88Å; H295-T297 PolarHBondContact O-N 3.39Å |
| 296 | A | 63.5 | Low | 63.4 | Low | 99 Ų | 99 | 149.1 Ų | 149.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -70.3 | 108.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I294 K298 | I294-A296 PolarHBondContact O-N 3.17Å; A296-K298 PolarHBondContact O-N 3.27Å; A296-K298 VanDerWaalsContact O-N 3.14Å |
| 297 | T | 62.5 | Low | 63.8 | Low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -69.6 | 105.1 | 164.3 | 45 | 0 | 0 | 0 | 0 | 108 | H295 G299 | H295-T297 PolarHBondContact O-N 3.39Å; T297-G299 PolarHBondContact O-N 3.18Å |
| 298 | K | 55.1 | Low | 63.9 | Low | 194 Ų | 194 | 143.7 Ų | 143.7 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | trans | -66.8 | 117.1 | 167.3 | -166.9 | 176.4 | -177.8 | -176.6 | 0 | 106.9 | A296 | A296-K298 PolarHBondContact O-N 3.27Å; A296-K298 VanDerWaalsContact O-N 3.14Å |
| 299 | G | 55.8 | Low | 64.4 | Low | 70 Ų | 70 | 142.8 Ų | 142.8 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -67.4 | 134.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | T297 | T297-G299 PolarHBondContact O-N 3.18Š|
| 300 | D | 50.9 | Low | 63.8 | Low | 234 Ų | 234 | 149.6 Ų | 149.6 | 100% | 1.251 | 83% | 0.834 | S | S | * | * | | | trans | -113 | 0 | 159.2 | -76.1 | -31.8 | 0 | 0 | 0 | 108.2 | | |