| 1 | M | 45.6 | Very low | 53.4 | Low | 245 Ų | 245 | 158.8 Ų | 158.8 | 100% | 1.207 | 80% | 0.802 | S | S | * | * | | | | 0 | 155.9 | 0 | -73.9 | -56.6 | -120.1 | 0 | 0 | 108.2 | | |
| 2 | A | 48.2 | Very low | 53.4 | Low | 103 Ų | 103 | 156.2 Ų | 156.2 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -62.5 | 148 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 3 | E | 57.7 | Low | 52.8 | Low | 131 Ų | 131 | 156.1 Ų | 156.1 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | | | trans | -79.3 | 177 | 157.2 | -142.4 | -163.8 | -127.5 | 0 | 0 | 108.7 | R5 | E3-R5 VanDerWaalsContact CD-N 3.3Å; E3-R5 HydrophobicContact CG-CG 4.49Å; E3-R5 WeakPolarHBondContact OE1-CD 3.2Å; E3-R5 WeakPolarHBondContact OE1-CG 3.14Å; E3-R5 IonicContact OE1-NE 3.27Å; E3-R5 PolarHBondContact OE1-NE 3.37Å; E3-R5 PolarHBondContact OE2-N 2.74Å |
| 4 | P | 61 | Low | 52.9 | Low | 123 Ų | 123 | 156.4 Ų | 156.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | | -138.5 | 142.1 | 72.5 | 36.6 | -20.3 | 0 | 0 | 0 | 114.7 | | |
| 5 | R | 45.7 | Very low | 52.4 | Low | 168 Ų | 168 | 153.1 Ų | 153.1 | 63% | 0.634 | 79% | 0.791 | S | S | * | * | | | trans | -67.4 | 156.3 | 148.2 | -69 | 162.9 | 175.9 | -146.5 | -2.6 | 108.8 | E3 E7 | E3-R5 VanDerWaalsContact CD-N 3.3Å; E3-R5 HydrophobicContact CG-CG 4.49Å; E3-R5 WeakPolarHBondContact OE1-CD 3.2Å; E3-R5 WeakPolarHBondContact OE1-CG 3.14Å; E3-R5 IonicContact OE1-NE 3.27Å; E3-R5 PolarHBondContact OE1-NE 3.37Å; E3-R5 PolarHBondContact OE2-N 2.74Å; R5-E7 HydrophobicContact CB-CG 4.12Å; R5-E7 WeakPolarHBondContact CD-OE1 3.45Å; R5-E7 IonicContact CZ-OE1 3.81Å; R5-E7 IonicContact NH1-OE1 3.67Å; R5-E7 PolarHBondContact NH1-OE1 3.32Å |
| 6 | Q | 58.6 | Low | 52 | Low | 200 Ų | 200 | 148.2 Ų | 148.2 | 94% | 0.935 | 79% | 0.79 | S | S | * | * | | | trans | -129.5 | 130.1 | 142.7 | -158.9 | 155 | 39.8 | 0 | 0 | 107 | | |
| 7 | E | 58.4 | Low | 51.7 | Low | 133 Ų | 133 | 145.5 Ų | 145.5 | 62% | 0.621 | 78% | 0.78 | S | S | * | * | | | trans | -91.6 | 154.4 | -161.1 | -60.8 | -174.5 | 137 | 0 | 0 | 110.8 | R5 | R5-E7 HydrophobicContact CB-CG 4.12Å; R5-E7 WeakPolarHBondContact CD-OE1 3.45Å; R5-E7 IonicContact CZ-OE1 3.81Å; R5-E7 IonicContact NH1-OE1 3.67Å; R5-E7 PolarHBondContact NH1-OE1 3.32Å |
| 8 | F | 46.9 | Very low | 51.4 | Low | 192 Ų | 192 | 150.1 Ų | 150.1 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -76.4 | 122.5 | 169 | 47.7 | -86.2 | 0 | 0 | 0 | 107.5 | | |
| 9 | E | 52.9 | Low | 51 | Low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | | | trans | -112 | 131.1 | 168 | -165.1 | 160 | -141.9 | 0 | 0 | 108.3 | | |
| 10 | V | 52.8 | Low | 50.8 | Low | 121 Ų | 121 | 147.4 Ų | 147.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -125.2 | 94.9 | -171.7 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 11 | M | 59.8 | Low | 50.5 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -164.7 | 149.1 | 177.8 | -116.3 | 93.4 | -177.3 | 0 | 0 | 106.9 | | |
| 12 | E | 53.5 | Low | 50.5 | Low | 127 Ų | 127 | 137.6 Ų | 137.6 | 59% | 0.593 | 76% | 0.763 | S | S | * | * | | | cis | -151.7 | 154.2 | -16.8 | -160.3 | 74.4 | 129.4 | 0 | 0 | 107.6 | H14 | E12-H14 PolarHBondContact O-N 3.08Š|
| 13 | D | 45.4 | Very low | 50.6 | Low | 155 Ų | 155 | 142.7 Ų | 142.7 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -82 | 108 | -179.7 | -175.2 | 21.1 | 0 | 0 | 0 | 111.6 | | |
| 14 | H | 53.7 | Low | 49.9 | Very low | 160 Ų | 160 | 145.5 Ų | 145.5 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -131.7 | 100.1 | -176.7 | -74.3 | -1.2 | 0 | 0 | 0 | 112.3 | E12 | E12-H14 PolarHBondContact O-N 3.08Š|
| 15 | A | 46.3 | Very low | 49 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | | | trans | -69.2 | 134.3 | 167 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 16 | G | 45.1 | Very low | 48.8 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -149.6 | 117.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 17 | T | 47 | Very low | 47.9 | Very low | 102 Ų | 102 | 140.3 Ų | 140.3 | 63% | 0.626 | 76% | 0.761 | S | S | * | * | | | trans | -91.7 | -171.4 | -174.2 | 40.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 18 | Y | 46.3 | Very low | 47 | Very low | 229 Ų | 229 | 137.4 Ų | 137.4 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | | | trans | 80.3 | 134.2 | 172.1 | -35.8 | -65.9 | 0 | 0 | 0 | 115.3 | | |
| 19 | G | 44.4 | Very low | 46.5 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | | | cis | -157.6 | -178 | 3.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 20 | L | 47.5 | Very low | 46.1 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | -71.1 | 154.2 | -170 | -80.5 | 63.2 | 0 | 0 | 0 | 114 | | |
| 21 | G | 44.6 | Very low | 45.6 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | trans | -153.9 | 87 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 22 | D | 45.8 | Very low | 44.8 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 57% | 0.567 | 75% | 0.747 | S | S | * | * | | | trans | -47.5 | 145.1 | -176 | -92.2 | -115.2 | 0 | 0 | 0 | 119.2 | | |
| 23 | R | 48.4 | Very low | 44.1 | Very low | 210 Ų | 210 | 135 Ų | 135 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | 92.2 | 144 | 134.1 | -78.3 | 164.7 | -146.5 | -179 | 12.9 | 124.1 | | |
| 24 | K | 44.3 | Very low | 43.9 | Very low | 189 Ų | 189 | 132.2 Ų | 132.2 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | | | trans | 73.4 | 98.9 | 153.3 | -75 | 175.8 | 175.9 | -172.4 | 0 | 117.6 | | |
| 25 | D | 41.6 | Very low | 43.4 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | | 70.2 | 142.4 | 54.1 | -154.9 | 4 | 0 | 0 | 0 | 114.5 | | |
| 26 | Q | 42.3 | Very low | 43.1 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 83% | 0.832 | 73% | 0.726 | S | S | * | * | | | trans | 74.9 | 142 | -163 | -53.9 | 167.3 | 105.5 | 0 | 0 | 116 | | |
| 27 | G | 40 | Very low | 43 | Very low | 53 Ų | 53 | 133.5 Ų | 133.5 | 55% | 0.546 | 73% | 0.726 | S | S | . | * | | | cis | 152.7 | 109 | -10.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y29 | G27-Y29 WeakPolarHBondContact O-CE2 3.31Š|
| 28 | G | 39.1 | Very low | 43.1 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 75% | 0.753 | 73% | 0.733 | S | S | * | * | | | trans | 69.4 | -174.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 29 | Y | 34.8 | Very low | 43.2 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 73% | 0.729 | 73% | 0.732 | S | S | * | * | | | cis | -156.8 | 161.2 | -9.2 | -44.6 | -96.4 | 0 | 0 | 0 | 110.4 | G27 | G27-Y29 WeakPolarHBondContact O-CE2 3.31Š|
| 30 | T | 45.1 | Very low | 43.2 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 73% | 0.732 | S | S | * | * | | | trans | 61.6 | 161.4 | 149.8 | 56.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 31 | M | 43.7 | Very low | 43 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 61% | 0.606 | 73% | 0.726 | S | S | * | * | | | cis | -162.8 | 158.3 | -21.6 | -93.1 | -90.3 | -69.8 | 0 | 0 | 110 | Y514 | M31-Y514 PolarHBondContact O-OH 3.27Š|
| 32 | H | 42.1 | Very low | 43.2 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 57% | 0.574 | 72% | 0.723 | S | S | * | * | | | trans | -10 | 151.6 | 155.4 | -55.6 | -133.2 | 0 | 0 | 0 | 121 | | |
| 33 | Q | 39.4 | Very low | 43.1 | Very low | 151 Ų | 151 | 133.3 Ų | 133.3 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | | -174.6 | 127.9 | 106.3 | -107.7 | 174.5 | 102.3 | 0 | 0 | 116.7 | S516 P517 | Q33-S516 CarbonylContact C-O 2.83Å; Q33-S516 VanDerWaalsContact C-O 3.3Å; Q33-S516 PolarHBondContact N-O 3.15Å; Q33-S516 CarbonylContact O-C 3.35Å; Q33-S516 WeakPolarHBondContact O-CA 3.37Å; Q33-P517 VanDerWaalsContact C-N 3.26Å; Q33-P517 VanDerWaalsContact O-N 3.15Å |
| 34 | D | 40.6 | Very low | 42.8 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 52% | 0.519 | 74% | 0.735 | S | S | . | * | | | trans | -135.2 | 119.8 | -156.9 | -92 | -83.3 | 0 | 0 | 0 | 108.2 | P517 G518 | D34-P517 CarbonylContact C-O 3.3Å; D34-P517 WeakPolarHBondContact CA-O 3.28Å; D34-P517 HydrophobicContact CB-CB 2.32Å; D34-P517 HydrophobicContact CB-CG 2.31Å; D34-P517 WeakPolarHBondContact CB-O 3.47Å; D34-P517 VanDerWaalsContact N-N 3.19Å; D34-P517 WeakPolarHBondContact OD1-CA 3.23Å; D34-P517 WeakPolarHBondContact OD1-CB 3.32Å; D34-P517 WeakPolarHBondContact OD1-CG 3.28Å; D34-P517 VanDerWaalsContact OD2-CB 3.29Å; D34-P517 WeakPolarHBondContact OD2-CB 3.48Å; D34-P517 WeakPolarHBondContact OD2-CD 3.46Å; D34-P517 WeakPolarHBondContact OD2-CG 3.39Å; D34-G518 VanDerWaalsContact C-CA 3.48Å; D34-G518 VanDerWaalsContact CB-N 3.3Å |
| 35 | Q | 43.7 | Very low | 42.6 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 71% | 0.706 | 73% | 0.728 | S | S | * | * | | | trans | -144.4 | 123.2 | 178.6 | -82.5 | -163.9 | -38.7 | 0 | 0 | 117.5 | P517 G518 | Q35-P517 VanDerWaalsContact N-C 3.34Å; Q35-P517 PolarHBondContact N-O 3.27Å; Q35-G518 VanDerWaalsContact N-CA 3.31Å |
| 36 | E | 39.7 | Very low | 42.5 | Very low | 143 Ų | 143 | 127.5 Ų | 127.5 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | | | | 56.3 | 146.8 | 127 | -60 | 170.1 | -119.3 | 0 | 0 | 125.1 | | |
| 37 | G | 43.2 | Very low | 42.6 | Very low | 75 Ų | 75 | 124 Ų | 124 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | | | trans | 122.3 | 93.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 38 | D | 48.9 | Very low | 42.3 | Very low | 144 Ų | 144 | 129 Ų | 129 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | | 84.3 | 121 | 60.3 | -174.2 | 39.6 | 0 | 0 | 0 | 115.7 | | |
| 39 | T | 48.1 | Very low | 42.4 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | | | trans | -170.3 | 128.7 | 135.4 | 7.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 40 | D | 43.8 | Very low | 42.5 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | -94.8 | 159.3 | -177.9 | 173 | 47.5 | 0 | 0 | 0 | 114.1 | | |
| 41 | A | 44.9 | Very low | 42.8 | Very low | 95 Ų | 95 | 131 Ų | 131 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | 176.1 | 124 | 139.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 42 | G | 46.9 | Very low | 43.1 | Very low | 75 Ų | 75 | 131 Ų | 131 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 174.9 | 24 | 172 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 43 | L | 43.9 | Very low | 43.3 | Very low | 164 Ų | 164 | 133.3 Ų | 133.3 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | -67.6 | 137.2 | -176.1 | -61.9 | 170.3 | 0 | 0 | 0 | 114.5 | | |
| 44 | K | 42.6 | Very low | 43.7 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | | 171.3 | 121.5 | 113.9 | -95.6 | 171.1 | 167.6 | -80.2 | 0 | 117.1 | | |
| 45 | E | 39.8 | Very low | 44 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | | 68.6 | 96.9 | 115 | -153.7 | 166.7 | -176.9 | 0 | 0 | 121.7 | | |
| 46 | S | 39.3 | Very low | 44.3 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | | 50.8 | 162.4 | 113.9 | -60.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 47 | P | 45.5 | Very low | 44.8 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -141.7 | 175.3 | -32.5 | 39 | -21.1 | 0 | 0 | 0 | 115.8 | | |
| 48 | L | 33.9 | Very low | 45.3 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | | | trans | 49.1 | 116.9 | 147.5 | -71.8 | 165.2 | 0 | 0 | 0 | 122 | | |
| 49 | Q | 41.1 | Very low | 45.5 | Very low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -162.4 | 141.7 | 130.4 | -111.8 | 166.1 | 27.6 | 0 | 0 | 113.1 | | |
| 50 | T | 36.5 | Very low | 45.2 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -124.5 | 178.4 | 172.6 | 52.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 51 | P | 50.6 | Low | 45 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | cis | -139.2 | -135.6 | 14.6 | 43.7 | -21.3 | 0 | 0 | 0 | 113.7 | | |
| 52 | T | 50 | Low | 45.1 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | 92.3 | 127.8 | 164.4 | -56.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 53 | E | 47.8 | Very low | 45 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | cis | -166.4 | 162.9 | -23.5 | -103 | -135.8 | 118.5 | 0 | 0 | 111.4 | | |
| 54 | D | 47.2 | Very low | 44.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | 62.8 | 147.6 | 150 | -161 | 22.3 | 0 | 0 | 0 | 121.2 | | |
| 55 | G | 46.8 | Very low | 44.7 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | 167.4 | 15.4 | -178 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 56 | S | 50.7 | Low | 44.7 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | 66.5 | 121.8 | 179.3 | 61.3 | 0 | 0 | 0 | 0 | 117.2 | | |
| 57 | E | 49.8 | Very low | 45 | Very low | 184 Ų | 184 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | | 84.6 | 133.6 | 58.2 | -71.4 | -164.7 | 165.6 | 0 | 0 | 113.7 | | |
| 58 | E | 52.5 | Low | 44.5 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | cis | -154.8 | 164.7 | -5.6 | -112.3 | -96 | 111.6 | 0 | 0 | 109.4 | | |
| 59 | P | 52.8 | Low | 44.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | | | trans | -107.6 | -173.7 | -169.2 | 41.6 | -32.1 | 0 | 0 | 0 | 114.5 | | |
| 60 | G | 41.9 | Very low | 45.4 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 78% | 0.784 | 77% | 0.768 | S | S | * | * | | | trans | -157.2 | 122.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 61 | S | 40.4 | Very low | 45.6 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -104.3 | -162 | -178.7 | -63.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 62 | E | 46.3 | Very low | 45.5 | Very low | 175 Ų | 175 | 126.6 Ų | 126.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | 79.7 | 145.3 | 166.6 | -54.5 | -167.3 | 68.5 | 0 | 0 | 116.8 | | |
| 63 | T | 45.5 | Very low | 45.9 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | | | cis | -149.5 | 154.5 | -15.7 | 9 | 0 | 0 | 0 | 0 | 110 | | |
| 64 | S | 42.1 | Very low | 45.8 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -70.7 | 131.3 | 155.7 | -46.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 65 | D | 38.7 | Very low | 46 | Very low | 157 Ų | 157 | 126.3 Ų | 126.3 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | -166.8 | 156.8 | 134.2 | -125.7 | -35.9 | 0 | 0 | 0 | 114 | | |
| 66 | A | 39 | Very low | 46.3 | Very low | 87 Ų | 87 | 129.5 Ų | 129.5 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | trans | -99.6 | 126.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 67 | K | 45.1 | Very low | 46.1 | Very low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | -134.1 | 124 | 168.7 | -76.3 | -168.5 | 176.7 | 172.3 | 0 | 114.4 | | |
| 68 | S | 35.2 | Very low | 46.2 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -74.2 | 146.7 | 178.5 | -37.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 69 | T | 42 | Very low | 45.8 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | 63 | 170.4 | 141.8 | 50.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 70 | P | 53.4 | Low | 45.4 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | cis | -134.8 | -175.8 | 8.4 | 37.3 | -16.5 | 0 | 0 | 0 | 117.3 | | |
| 71 | T | 39.5 | Very low | 45.4 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | 72.1 | 145.3 | 153.8 | 27.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 72 | A | 49.3 | Very low | 45.3 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 60% | 0.603 | 76% | 0.764 | S | S | * | * | | | cis | -152.9 | -166.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 73 | E | 57.9 | Low | 45 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | 70.2 | 60.6 | 168.7 | -45.4 | -45 | 91.8 | 0 | 0 | 118.6 | | |
| 74 | D | 46.1 | Very low | 44.8 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -19.8 | 179.2 | 144.3 | -169.5 | 29.1 | 0 | 0 | 0 | 121 | | |
| 75 | V | 50.5 | Low | 45 | Very low | 111 Ų | 111 | 126 Ų | 126 | 67% | 0.673 | 77% | 0.766 | S | S | * | * | | | trans | 105.3 | 86.5 | 155.9 | -165.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 76 | T | 53.4 | Low | 45.2 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | | | trans | 87 | 105.5 | 133.9 | -55.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 77 | A | 46.2 | Very low | 45.8 | Very low | 84 Ų | 84 | 126.3 Ų | 126.3 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | | | trans | -84.8 | -166.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 78 | P | 52.8 | Low | 45.6 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | cis | -143.3 | -161.8 | 8 | 34.6 | -8.6 | 0 | 0 | 0 | 115.5 | | |
| 79 | L | 42.9 | Very low | 45.8 | Very low | 149 Ų | 149 | 125.2 Ų | 125.2 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | 99.7 | 93.9 | 135.5 | -138.5 | 69.5 | 0 | 0 | 0 | 120 | | |
| 80 | V | 45.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | | 80.7 | 150.1 | 124.4 | 170.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 81 | D | 42.2 | Very low | 45.4 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | 69.5 | 116 | 163.3 | -79 | 3.2 | 0 | 0 | 0 | 123 | | |
| 82 | E | 36.4 | Very low | 45.6 | Very low | 185 Ų | 185 | 126.2 Ų | 126.2 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | | 35.6 | 110.3 | 112.8 | -72.4 | -74.3 | 92.9 | 0 | 0 | 118 | | |
| 83 | G | 40.5 | Very low | 45.2 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -170.5 | 62.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 84 | A | 41.9 | Very low | 44.3 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | | | trans | -86 | -179.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 85 | P | 46.2 | Very low | 43.8 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | cis | -132.1 | 172.4 | -11.9 | 39.9 | -25 | 0 | 0 | 0 | 114.3 | | |
| 86 | G | 43.4 | Very low | 43.1 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -177.9 | 146.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 87 | K | 50.8 | Low | 42.7 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | cis | 178.5 | 123.6 | -31.2 | -115.6 | -176.4 | -177 | -174.5 | 0 | 105.1 | | |
| 88 | Q | 41.1 | Very low | 42.7 | Very low | 177 Ų | 177 | 128.5 Ų | 128.5 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | 58.1 | 95.3 | 147.7 | -57.5 | 174.5 | -68.7 | 0 | 0 | 121.1 | | |
| 89 | A | 39.8 | Very low | 42 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -169.7 | 116.6 | 130.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 90 | A | 43.1 | Very low | 41.7 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | | | cis | 101.8 | 68 | 48.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 91 | A | 44.3 | Very low | 41.2 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -158.4 | 153.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 92 | Q | 42.3 | Very low | 41.2 | Very low | 187 Ų | 187 | 130.7 Ų | 130.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | -143.5 | 177.1 | -176.6 | -82.8 | -140.4 | -6.5 | 0 | 0 | 109.1 | | |
| 93 | P | 42.2 | Very low | 41.6 | Very low | 84 Ų | 84 | 124.8 Ų | 124.8 | 55% | 0.545 | 78% | 0.781 | S | S | . | * | | | cis | -133.5 | -170 | 1.8 | 16.9 | 11 | 0 | 0 | 0 | 114.5 | | |
| 94 | H | 39.4 | Very low | 41.9 | Very low | 163 Ų | 163 | 124 Ų | 124 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 77.8 | 145.1 | 158.8 | -55.3 | -58.9 | 0 | 0 | 0 | 119.5 | | |
| 95 | T | 35.7 | Very low | 42 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | | | cis | 168 | 110.8 | -45.4 | 36.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 96 | E | 34.3 | Very low | 41.8 | Very low | 169 Ų | 169 | 121 Ų | 121 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | 76.8 | 132 | 131 | -98.8 | -171.9 | 133 | 0 | 0 | 124.7 | | |
| 97 | I | 46.2 | Very low | 41.7 | Very low | 143 Ų | 143 | 121 Ų | 121 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | trans | 67.3 | 168.3 | 151.8 | 10.3 | -178.2 | 0 | 0 | 0 | 119.8 | | |
| 98 | P | 45.2 | Very low | 41.3 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | | | | -132.7 | -152.9 | -110 | 48.5 | -30 | 0 | 0 | 0 | 114.6 | | |
| 99 | E | 38.4 | Very low | 41.6 | Very low | 188 Ų | 188 | 115.6 Ų | 115.6 | 88% | 0.879 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -57.1 | 145.2 | 173.3 | -55.7 | 178.7 | 116.9 | 0 | 0 | 114.7 | | |
| 100 | G | 35.7 | Very low | 42 | Very low | 79 Ų | 79 | 118.5 Ų | 118.5 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | | | trans | 70.6 | 82.9 | 141 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 101 | T | 37 | Very low | 42.1 | Very low | 142 Ų | 142 | 119.7 Ų | 119.7 | 87% | 0.871 | 72% | 0.724 | S | S | * | * | | | trans | -124.4 | 112.2 | 159.6 | 45 | 0 | 0 | 0 | 0 | 111.9 | | |
| 102 | T | 42.4 | Very low | 42.9 | Very low | 151 Ų | 151 | 121.3 Ų | 121.3 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | | | trans | -119.6 | 118.4 | 166.1 | 49.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 103 | A | 44.7 | Very low | 42.8 | Very low | 61 Ų | 61 | 117.6 Ų | 117.6 | 50% | 0.504 | 72% | 0.72 | S | S | . | * | | | trans | -150.9 | 136.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | K687 | A103-K687 PolarHBondContact O-NZ 3Š|
| 104 | E | 46 | Very low | 43.4 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 30% | 0.304 | 74% | 0.735 | S | S | . | * | | | trans | 53.1 | 155.2 | 141.1 | -49.1 | -49.9 | 81.5 | 0 | 0 | 119.1 | K687 T690 H691 | E104-K687 WeakPolarHBondContact O-CD 3.4Å; E104-K687 PolarHBondContact O-NZ 2.99Å; E104-T690 WeakPolarHBondContact OE1-CA 3.17Å; E104-T690 PolarHBondContact OE1-N 2.89Å; E104-H691 IonicContact OE2-CE1 3.87Å; E104-H691 IonicContact OE2-CG 3.38Å; E104-H691 PolarHBondContact OE2-N 3.37Å; E104-H691 IonicContact OE2-ND1 3.78Å; E104-H691 PolarHBondContact OE2-ND1 2.79Å |
| 105 | E | 43.2 | Very low | 44.4 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 36% | 0.364 | 74% | 0.737 | S | S | . | * | | | | 135.2 | 70.5 | 50.3 | -87.7 | 168.8 | 141.2 | 0 | 0 | 112.7 | E689 T690 H691 | E105-E689 HydrophobicContact CB-CB 3.69Å; E105-E689 HydrophobicContact CB-CG 4.48Å; E105-E689 HydrophobicContact CG-CB 3.43Å; E105-E689 VanDerWaalsContact CG-CB 3.43Å; E105-E689 HydrophobicContact CG-CG 4.29Å; E105-E689 PolarHBondContact N-OE1 3.12Å; E105-E689 WeakPolarHBondContact OE2-CB 3.45Å; E105-T690 PolarHBondContact OE2-N 2.65Å; E105-H691 VanDerWaalsContact CB-CE1 3.44Å; E105-H691 WeakPolarHBondContact CB-CE1 3.12Å; E105-H691 IonicContact OE1-CD2 3.18Å; E105-H691 PolarHBondContact OE1-CD2 3.36Å; E105-H691 IonicContact OE1-CG 2.9Å; E105-H691 IonicContact OE1-NE2 2.78Å; E105-H691 IonicContact OE2-CD2 2.78Å; E105-H691 IonicContact OE2-CE1 2.67Å; E105-H691 IonicContact OE2-CG 2.69Å; E105-H691 VanDerWaalsContact OE2-CG 3.26Å; E105-H691 PolarHBondContact OE2-N 3.21Å; E105-H691 IonicContact OE2-ND1 3.97Å; E105-H691 PolarHBondContact OE2-ND1 2.89Å |
| 106 | A | 42.5 | Very low | 45.3 | Very low | 73 Ų | 73 | 124 Ų | 124 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | | | trans | 82.2 | 157.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | E689 | A106-E689 PolarHBondContact N-OE2 2.93Š|
| 107 | G | 42 | Very low | 46.6 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 176.9 | 57.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 108 | I | 42.6 | Very low | 46.6 | Very low | 178 Ų | 178 | 121.4 Ų | 121.4 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | | | trans | -71.4 | 136 | 177.5 | -39.6 | 173.6 | 0 | 0 | 0 | 109.5 | | |
| 109 | G | 45.9 | Very low | 46.9 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 75% | 0.753 | S | S | * | * | | | trans | -151.4 | 113.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 110 | D | 49.5 | Very low | 47.2 | Very low | 162 Ų | 162 | 115.8 Ų | 115.8 | 87% | 0.866 | 75% | 0.747 | S | S | * | * | | | trans | 55.3 | 98.2 | 145.5 | -53.6 | -21.9 | 0 | 0 | 0 | 121.5 | | |
| 111 | T | 43.7 | Very low | 47.5 | Very low | 132 Ų | 132 | 120.1 Ų | 120.1 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | -89.7 | 129.1 | 149.6 | 51.3 | 0 | 0 | 0 | 0 | 111 | | |
| 112 | P | 61.5 | Low | 48.1 | Very low | 134 Ų | 134 | 119.2 Ų | 119.2 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | | | trans | -85.8 | 123.4 | 162.7 | 31.9 | -29.5 | 0 | 0 | 0 | 110.8 | | |
| 113 | S | 40.2 | Very low | 47.8 | Very low | 109 Ų | 109 | 117.5 Ų | 117.5 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | trans | -108.8 | 129.9 | 179.8 | 59.7 | 0 | 0 | 0 | 0 | 113 | | |
| 114 | L | 55.9 | Low | 47.6 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 85% | 0.848 | 75% | 0.746 | S | S | * | * | | | trans | -157.8 | 144.7 | 171.9 | -85.1 | 176.9 | 0 | 0 | 0 | 104.4 | | |
| 115 | E | 59.7 | Low | 47 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | cis | -146.1 | 121.3 | 11.6 | -51.1 | 169.9 | 145.1 | 0 | 0 | 104.7 | | |
| 116 | D | 55.2 | Low | 47 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | | 73.5 | 153.8 | 76.1 | -147.4 | 5.1 | 0 | 0 | 0 | 116.6 | | |
| 117 | E | 60.8 | Low | 46.7 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | 69.1 | 143.1 | -178.3 | -59 | -86.6 | 144.8 | 0 | 0 | 117.5 | | |
| 118 | A | 47.4 | Very low | 46.7 | Very low | 87 Ų | 87 | 137.2 Ų | 137.2 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | cis | -162.4 | 167.6 | -20.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 119 | A | 50.2 | Low | 46.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -63.2 | 169.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 120 | G | 45.4 | Very low | 46.4 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 130.7 | 93.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 121 | H | 41.4 | Very low | 45.8 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | | | cis | 59.1 | 103.8 | 49.5 | -176.4 | -79.8 | 0 | 0 | 0 | 115.8 | | |
| 122 | V | 50.1 | Low | 45.5 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | | -164.4 | 141.4 | 129.6 | 137.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 123 | T | 36.9 | Very low | 44.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | -113 | 137.8 | 178.4 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 124 | Q | 39.3 | Very low | 43.9 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | trans | -161.7 | 109.6 | 156.8 | -126.5 | 157.1 | 89.1 | 0 | 0 | 115.3 | | |
| 125 | E | 34.4 | Very low | 43 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | | | trans | -89.4 | 157.2 | 143.8 | -81.8 | -73.6 | 155.3 | 0 | 0 | 106.7 | | |
| 126 | P | 42.8 | Very low | 41.9 | Very low | 107 Ų | 107 | 137.2 Ų | 137.2 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | | -160.4 | 176.1 | 63.7 | 44 | -22.1 | 0 | 0 | 0 | 120.2 | | |
| 127 | E | 36.8 | Very low | 41 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | | | trans | 35.7 | 116.3 | 144.3 | -70.8 | -163.9 | 95 | 0 | 0 | 123.1 | | |
| 128 | S | 40.7 | Very low | 39.8 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 92% | 0.923 | 79% | 0.787 | S | S | * | * | | | | -177 | 148.1 | 123 | -81.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 129 | G | 41.3 | Very low | 39.8 | Very low | 65 Ų | 65 | 143.4 Ų | 143.4 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | 154.2 | 143.3 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 130 | K | 42.4 | Very low | 40 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 72.6 | 108.3 | -176.9 | -49.6 | 177.2 | -176 | 179.8 | 0 | 114.4 | | |
| 131 | V | 36.7 | Very low | 40.1 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | cis | 73.2 | 108 | 32.8 | -170.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 132 | V | 36.3 | Very low | 40.6 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | 87.5 | 128.4 | 148 | 160.3 | 0 | 0 | 0 | 0 | 121.8 | | |
| 133 | Q | 35.4 | Very low | 40.3 | Very low | 159 Ų | 159 | 141.7 Ų | 141.7 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | 115.9 | 138.6 | 140.8 | -117.4 | 162.5 | -12.7 | 0 | 0 | 122.7 | | |
| 134 | E | 34.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -45.5 | 153.5 | 179.4 | -56.4 | 154 | 87.4 | 0 | 0 | 116.3 | | |
| 135 | G | 36.6 | Very low | 40.5 | Very low | 66 Ų | 66 | 138.8 Ų | 138.8 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | | | trans | 150.4 | 111.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 136 | F | 36.4 | Very low | 40.9 | Very low | 195 Ų | 195 | 136.8 Ų | 136.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | | | trans | 47.2 | 109.7 | 142.6 | -80.8 | -99.2 | 0 | 0 | 0 | 120.7 | | |
| 137 | L | 36.1 | Very low | 40.7 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | | | | 59.6 | 107.2 | 114.7 | -168.6 | 163.6 | 0 | 0 | 0 | 117.7 | | |
| 138 | R | 35.7 | Very low | 40.8 | Very low | 232 Ų | 232 | 140.2 Ų | 140.2 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | | | | -174.6 | 120.9 | 122.8 | -166.2 | 161.4 | -178.2 | 175.9 | -1.3 | 114.1 | | |
| 139 | E | 46.3 | Very low | 40.3 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -85.6 | 156.1 | 166 | -95.5 | -74.5 | 152.1 | 0 | 0 | 112.2 | G141 | E139-G141 PolarHBondContact OE2-N 3.33Š|
| 140 | P | 55.2 | Low | 40.1 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | | -141.5 | 119.2 | 122.3 | 33.6 | -17.8 | 0 | 0 | 0 | 112.5 | | |
| 141 | G | 46.9 | Very low | 39.9 | Very low | 62 Ų | 62 | 141.2 Ų | 141.2 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | | | | 94.8 | 171.4 | 75.8 | 0 | 0 | 0 | 0 | 0 | 113 | E139 | E139-G141 PolarHBondContact OE2-N 3.33Š|
| 142 | P | 53.2 | Low | 39.9 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | | | cis | -124.2 | 175.5 | -4.2 | 41.9 | -27.5 | 0 | 0 | 0 | 114.8 | | |
| 143 | P | 42.6 | Very low | 40.6 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -115.5 | 170 | -175.8 | 41.6 | -33.2 | 0 | 0 | 0 | 116.4 | | |
| 144 | G | 40 | Very low | 41.3 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | 161.7 | 107 | 163.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 145 | L | 42 | Very low | 41.6 | Very low | 169 Ų | 169 | 135.4 Ų | 135.4 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | | 66.8 | 95.9 | 59.2 | -60.6 | -179.3 | 0 | 0 | 0 | 115.3 | | |
| 146 | S | 40.9 | Very low | 42.2 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | | 178 | 165.6 | 123.8 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 147 | H | 38.6 | Very low | 42.7 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -94.6 | -178.2 | -168.7 | -59.9 | 177.4 | 0 | 0 | 0 | 113.8 | | |
| 148 | Q | 39.2 | Very low | 42.9 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | 83.3 | 133.6 | 177.9 | -48.9 | -156.9 | 103.1 | 0 | 0 | 113.5 | | |
| 149 | L | 31.1 | Very low | 43.3 | Very low | 151 Ų | 151 | 130.2 Ų | 130.2 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | cis | 72.6 | 141.2 | 37.2 | -155.8 | 83.8 | 0 | 0 | 0 | 112.5 | | |
| 150 | M | 37.5 | Very low | 43.5 | Very low | 153 Ų | 153 | 127.4 Ų | 127.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | 71.3 | 99.5 | 177.8 | -62 | 178 | 59.9 | 0 | 0 | 117.2 | | |
| 151 | S | 38.2 | Very low | 42.9 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | | 19.5 | 124.1 | 127.7 | 58.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 152 | G | 36.6 | Very low | 42.6 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 172.1 | 108.8 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 153 | M | 50.4 | Low | 42.5 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 93% | 0.931 | 79% | 0.793 | S | S | * | * | | | trans | -87.7 | 130.4 | 166.2 | -63.1 | -103.6 | 74.7 | 0 | 0 | 109.5 | | |
| 154 | P | 49.3 | Very low | 42.7 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -102.1 | 159.4 | 163 | 36.9 | -30.4 | 0 | 0 | 0 | 111.6 | | |
| 155 | G | 41.4 | Very low | 42.7 | Very low | 82 Ų | 82 | 138.6 Ų | 138.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | 117.7 | 62.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 156 | A | 49.4 | Very low | 42.7 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -82.7 | -174.2 | 157.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 157 | P | 47.1 | Very low | 42.6 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | cis | -136.2 | 178.3 | -2.3 | 38 | -18.4 | 0 | 0 | 0 | 115.1 | | |
| 158 | L | 39.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | | | | 177.4 | 154.7 | 114.5 | -89.3 | 169.4 | 0 | 0 | 0 | 111.4 | | |
| 159 | L | 43.7 | Very low | 42.4 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -117.8 | 172.3 | -175.2 | -71.1 | 176.7 | 0 | 0 | 0 | 109.7 | | |
| 160 | P | 51.3 | Low | 43.4 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | | | cis | -123.6 | -149.7 | 15.4 | 33.2 | -8.4 | 0 | 0 | 0 | 112.1 | | |
| 161 | E | 41.5 | Very low | 43.8 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 87% | 0.869 | 79% | 0.788 | S | S | * | * | | | cis | -159.5 | -153.2 | 10.3 | -153.5 | 139.7 | -122.1 | 0 | 0 | 113 | | |
| 162 | G | 39.9 | Very low | 43.9 | Very low | 58 Ų | 58 | 131 Ų | 131 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | | | trans | -162.8 | -147.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 163 | P | 52.3 | Low | 44.4 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | | | cis | -141.6 | 170.9 | -18.4 | 42.8 | -26.7 | 0 | 0 | 0 | 115.4 | | |
| 164 | R | 45.6 | Very low | 44.3 | Very low | 222 Ų | 222 | 129.5 Ų | 129.5 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | 67.1 | 171.5 | 158.6 | -62.1 | 156.4 | -165 | -171.4 | 3.8 | 115.8 | | |
| 165 | E | 40.7 | Very low | 44.7 | Very low | 171 Ų | 171 | 129.5 Ų | 129.5 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | | | cis | -156.3 | 169.5 | 7.4 | -146.1 | 166.7 | 110.1 | 0 | 0 | 114.4 | | |
| 166 | A | 41.6 | Very low | 44.9 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | 76.6 | 134.6 | 142.4 | 0 | 0 | 0 | 0 | 0 | 126.3 | | |
| 167 | T | 39.7 | Very low | 44.8 | Very low | 139 Ų | 139 | 136.9 Ų | 136.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | 88.8 | 146.9 | 142.6 | -54.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 168 | R | 38.6 | Very low | 44.9 | Very low | 221 Ų | 221 | 137.2 Ų | 137.2 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | -151.8 | -179 | -174.4 | -102.1 | -175 | 172.5 | -113.3 | 2.7 | 110.7 | | |
| 169 | Q | 34.1 | Very low | 45.1 | Very low | 163 Ų | 163 | 138 Ų | 138 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 81.3 | 158.5 | 178.5 | -49.3 | -62.3 | 4.5 | 0 | 0 | 113.7 | | |
| 170 | P | 51.9 | Low | 45 | Very low | 125 Ų | 125 | 134 Ų | 134 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | cis | -97.1 | -179.5 | 25.3 | 41 | -36.9 | 0 | 0 | 0 | 114.7 | | |
| 171 | S | 46.8 | Very low | 44.4 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | cis | -146.9 | 180 | 29.6 | 57.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 172 | G | 40.4 | Very low | 44.4 | Very low | 60 Ų | 60 | 134.7 Ų | 134.7 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | | | trans | -158 | -167.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 173 | T | 47.3 | Very low | 44.3 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | trans | 70.5 | 141.5 | -161.9 | 73.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 174 | G | 46.9 | Very low | 43.6 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | cis | -157.1 | 172.2 | -7 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 175 | P | 58.7 | Low | 43.9 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | -111.3 | -164.9 | -158.8 | 41.9 | -34.4 | 0 | 0 | 0 | 116.7 | | |
| 176 | E | 45.4 | Very low | 43.7 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | 81.5 | 130.3 | 175.6 | -59.9 | -179.3 | 147.9 | 0 | 0 | 115.9 | | |
| 177 | D | 48.3 | Very low | 43.6 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | | | cis | -153.7 | -152 | -11.8 | -163.3 | 34.1 | 0 | 0 | 0 | 108.7 | | |
| 178 | T | 48.6 | Very low | 43.7 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 69% | 0.693 | 77% | 0.774 | S | S | * | * | | | cis | -163.5 | -169.7 | 8 | -158.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 179 | E | 43 | Very low | 43.8 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | | | trans | -56.6 | 153.7 | 174.6 | -89.9 | 178.3 | 85.6 | 0 | 0 | 114.5 | | |
| 180 | G | 41.7 | Very low | 44.3 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | cis | 135.3 | 165.5 | 40.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 181 | G | 38.7 | Very low | 43.9 | Very low | 69 Ų | 69 | 134.3 Ų | 134.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | cis | 179.6 | 120.5 | -13 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 182 | R | 42.2 | Very low | 43.6 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | | | trans | 63.5 | 155.2 | 150.5 | -54.2 | 178 | -170.8 | -95.1 | -1 | 123.1 | | |
| 183 | H | 37.2 | Very low | 43.4 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | 111.5 | 95.4 | 148.7 | -61.3 | -74.9 | 0 | 0 | 0 | 121 | | |
| 184 | A | 38.4 | Very low | 43.1 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | | 41.4 | 160.2 | 112.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 185 | P | 50.7 | Low | 42.7 | Very low | 111 Ų | 111 | 141 Ų | 141 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -146 | -176.4 | -33 | 39.8 | -20.6 | 0 | 0 | 0 | 116.4 | | |
| 186 | E | 37.2 | Very low | 41.7 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | 73.4 | 158.3 | 140.7 | -84.5 | -92.8 | 94.8 | 0 | 0 | 123.8 | | |
| 187 | L | 39.8 | Very low | 41.6 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | trans | 73 | 154.6 | 166 | -50.1 | -171.5 | 0 | 0 | 0 | 120.5 | | |
| 188 | L | 41.9 | Very low | 41.2 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 61% | 0.607 | 77% | 0.768 | S | S | * | * | | | cis | -169.7 | 160.7 | -45.9 | -143.8 | 144.8 | 0 | 0 | 0 | 108.6 | | |
| 189 | K | 40.2 | Very low | 40.8 | Very low | 175 Ų | 175 | 146.1 Ų | 146.1 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | | | trans | 79.6 | 157 | 164.9 | -46.9 | -178.8 | -175.2 | 175.2 | 0 | 117.4 | | |
| 190 | H | 44.4 | Very low | 40.5 | Very low | 143 Ų | 143 | 140 Ų | 140 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | cis | -171.6 | 160.1 | -35.7 | -91.6 | -37.1 | 0 | 0 | 0 | 109.6 | | |
| 191 | Q | 44 | Very low | 40.6 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | 72.6 | 134.9 | 169.1 | -61.7 | 150.7 | 128.2 | 0 | 0 | 115.8 | | |
| 192 | L | 39.8 | Very low | 41.2 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 76% | 0.764 | S | S | * | * | | | cis | 79.9 | 97.7 | 21.1 | -161.5 | 159.3 | 0 | 0 | 0 | 115 | | |
| 193 | L | 37.9 | Very low | 41.3 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | | -163.5 | 160.2 | 116.9 | -167 | 52.7 | 0 | 0 | 0 | 109.3 | | |
| 194 | G | 40.2 | Very low | 41.6 | Very low | 57 Ų | 57 | 143.9 Ų | 143.9 | 59% | 0.588 | 77% | 0.771 | S | S | * | * | | | trans | -100 | 169.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 195 | D | 38 | Very low | 41.8 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | 75.6 | 148.1 | 143.1 | -63.1 | -46.4 | 0 | 0 | 0 | 123.7 | | |
| 196 | L | 39 | Very low | 41.2 | Very low | 146 Ų | 146 | 143.4 Ų | 143.4 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | 87.9 | 146.5 | 159.5 | -143.9 | 62.6 | 0 | 0 | 0 | 118.7 | | |
| 197 | H | 42 | Very low | 41.2 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | trans | 66.7 | 99.6 | 177.7 | -52.2 | -80.6 | 0 | 0 | 0 | 117.8 | | |
| 198 | Q | 39.9 | Very low | 41.2 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | | | trans | -129 | 102.9 | 145.5 | -86.2 | -74.1 | 85.5 | 0 | 0 | 107.6 | | |
| 199 | E | 40.2 | Very low | 41.5 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -142 | 145.7 | -173.2 | -147 | -61.3 | 97.2 | 0 | 0 | 107.2 | | |
| 200 | G | 36.2 | Very low | 41.5 | Very low | 56 Ų | 56 | 138.1 Ų | 138.1 | 58% | 0.577 | 80% | 0.796 | S | S | * | * | | | trans | 78.8 | 122.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 201 | P | 43.7 | Very low | 41.3 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 164 | 169.2 | 37.5 | -34 | 0 | 0 | 0 | 113.3 | | |
| 202 | P | 52.1 | Low | 41.2 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 125.5 | 178.9 | 30.4 | -34.3 | 0 | 0 | 0 | 113.5 | | |
| 203 | L | 43.7 | Very low | 41.1 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 131.8 | 178.8 | -71.9 | 168 | 0 | 0 | 0 | 113.8 | | |
| 204 | K | 45.4 | Very low | 41 | Very low | 214 Ų | 214 | 132.1 Ų | 132.1 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | -152.7 | 132.8 | 153.4 | -71.9 | -171.2 | 179.3 | 177.3 | 0 | 108.7 | | |
| 205 | G | 40.8 | Very low | 41.4 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | cis | -178.8 | 151.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 206 | A | 39.9 | Very low | 41.6 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | | | trans | 17.2 | 133.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 207 | G | 36.6 | Very low | 41.8 | Very low | 82 Ų | 82 | 138.3 Ų | 138.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -161.3 | -19.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 208 | G | 39.1 | Very low | 42.5 | Very low | 78 Ų | 78 | 136.3 Ų | 136.3 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | 72.4 | -175.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 209 | K | 47.6 | Very low | 43.2 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 74% | 0.735 | 78% | 0.783 | S | S | * | * | | | cis | -165.2 | 152.6 | -8.3 | -147.7 | 168.8 | 170.3 | -90.6 | 0 | 108.8 | | |
| 210 | E | 41.1 | Very low | 44.2 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | trans | 59.2 | 125.7 | 173.7 | -72.7 | 121.3 | -135.1 | 0 | 0 | 117.1 | | |
| 211 | R | 40.2 | Very low | 45.2 | Very low | 230 Ų | 230 | 135.9 Ų | 135.9 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | | | cis | 69.8 | 135.5 | 44.2 | -157.4 | -151.6 | 169.7 | 96.3 | 1.6 | 113.7 | | |
| 212 | P | 42.5 | Very low | 46.1 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | cis | -127.4 | -167.5 | -45.7 | 40.9 | -25.5 | 0 | 0 | 0 | 111.7 | | |
| 213 | G | 36.5 | Very low | 46.4 | Very low | 63 Ų | 63 | 140.1 Ų | 140.1 | 65% | 0.649 | 78% | 0.779 | S | S | * | * | | | trans | 159.5 | 108.7 | 148 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 214 | S | 37.1 | Very low | 47.2 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | 73.6 | 154.2 | 139.3 | 74.4 | 0 | 0 | 0 | 0 | 122.5 | | |
| 215 | K | 48.4 | Very low | 47 | Very low | 159 Ų | 159 | 135.3 Ų | 135.3 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | | | trans | 74.4 | 120 | 169.3 | -56.5 | -172 | 175.5 | -159.9 | 0 | 115.9 | E217 | K215-E217 IonicContact NZ-OE1 2.82Š|
| 216 | E | 41.4 | Very low | 48.1 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | cis | 59.4 | 88.5 | 8.5 | -166.7 | -176.7 | -168.6 | 0 | 0 | 114.6 | | |
| 217 | E | 43.8 | Very low | 48.4 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | -127.8 | 124.2 | 147.1 | -76.8 | 178.6 | 158.5 | 0 | 0 | 106 | K215 | K215-E217 IonicContact NZ-OE1 2.82Š|
| 218 | V | 57.1 | Low | 48.6 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | trans | -104 | 129.1 | 177.7 | 168 | 0 | 0 | 0 | 0 | 107.5 | E220 | V218-E220 HydrophobicContact CG1-CG 4.02Å; V218-E220 PolarHBondContact O-N 3.19Å |
| 219 | D | 54.2 | Low | 49 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 75% | 0.751 | S | S | * | * | | | trans | -91.3 | 94.4 | -175.4 | -153.7 | 32.4 | 0 | 0 | 0 | 109.1 | | |
| 220 | E | 60.8 | Low | 48.6 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 54% | 0.542 | 76% | 0.755 | S | S | . | * | | | trans | -123.9 | 76.4 | 175.9 | -79 | -160.4 | 138.5 | 0 | 0 | 111.3 | V218 R222 | V218-E220 HydrophobicContact CG1-CG 4.02Å; V218-E220 PolarHBondContact O-N 3.19Å; E220-R222 PolarHBondContact O-N 3.48Å; E220-R222 IonicContact OE1-CZ 3.26Å; E220-R222 IonicContact OE1-NH1 3.88Å; E220-R222 PolarHBondContact OE1-NH1 3.34Å; E220-R222 IonicContact OE1-NH2 3.67Å; E220-R222 PolarHBondContact OE1-NH2 3.27Å; E220-R222 IonicContact OE2-CZ 3.74Å; E220-R222 IonicContact OE2-NH1 3.32Å; E220-R222 PolarHBondContact OE2-NH1 3.26Å |
| 221 | D | 58.4 | Low | 48.6 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -61.6 | 98.4 | 159.9 | -82.3 | -26.6 | 0 | 0 | 0 | 109.3 | | |
| 222 | R | 62.5 | Low | 48.6 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | | | trans | -117.4 | 86.4 | 166.1 | -71.8 | -156 | -178.2 | 86.1 | 13.6 | 110.6 | E220 V224 | E220-R222 PolarHBondContact O-N 3.48Å; E220-R222 IonicContact OE1-CZ 3.26Å; E220-R222 IonicContact OE1-NH1 3.88Å; E220-R222 PolarHBondContact OE1-NH1 3.34Å; E220-R222 IonicContact OE1-NH2 3.67Å; E220-R222 PolarHBondContact OE1-NH2 3.27Å; E220-R222 IonicContact OE2-CZ 3.74Å; E220-R222 IonicContact OE2-NH1 3.32Å; E220-R222 PolarHBondContact OE2-NH1 3.26Å; R222-V224 HydrophobicContact CB-CG2 4.26Å; R222-V224 PolarHBondContact O-N 3.48Å |
| 223 | D | 58 | Low | 48.7 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | | | trans | -62.3 | 120.6 | 158.3 | -74.6 | -48.2 | 0 | 0 | 0 | 109.2 | | |
| 224 | V | 59.5 | Low | 49.3 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 76% | 0.758 | 75% | 0.752 | S | S | * | * | | | trans | -133 | 83.8 | 175.8 | -168.6 | 0 | 0 | 0 | 0 | 108.8 | R222 | R222-V224 HydrophobicContact CB-CG2 4.26Å; R222-V224 PolarHBondContact O-N 3.48Å |
| 225 | D | 42.4 | Very low | 49.5 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -108.7 | 103.2 | 169.1 | -164.6 | 107.3 | 0 | 0 | 0 | 108.6 | | |
| 226 | E | 62.8 | Low | 49.2 | Very low | 186 Ų | 186 | 140 Ų | 140 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -140 | 132.9 | 171.9 | -163.7 | -176.2 | 125.7 | 0 | 0 | 109 | | |
| 227 | S | 45.7 | Very low | 49.2 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -136.5 | 108.7 | -168.8 | -80.8 | 0 | 0 | 0 | 0 | 114 | | |
| 228 | S | 41.5 | Very low | 48.9 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 67.7 | 177.3 | 155.3 | -46.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 229 | P | 47.8 | Very low | 48.6 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | | | cis | -131.7 | -171.1 | -10.7 | 25.4 | -0.7 | 0 | 0 | 0 | 114.9 | | |
| 230 | Q | 39.3 | Very low | 48.1 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | 78.5 | 158 | 162.1 | -38.6 | -166.7 | -18.3 | 0 | 0 | 116.7 | | |
| 231 | D | 41.3 | Very low | 47.4 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | -146.7 | 157.5 | -0.2 | -164.1 | 27.6 | 0 | 0 | 0 | 114.8 | | |
| 232 | S | 40.3 | Very low | 46.7 | Very low | 95 Ų | 95 | 133.8 Ų | 133.8 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | | | trans | 53.3 | 154.5 | 152.4 | -73.3 | 0 | 0 | 0 | 0 | 125.5 | | |
| 233 | P | 45.1 | Very low | 45.6 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -130 | -149.2 | -173.6 | 35.1 | -10 | 0 | 0 | 0 | 113.2 | | |
| 234 | P | 49 | Very low | 44.9 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | | -120.5 | 177.1 | -70.9 | 36.6 | -22.1 | 0 | 0 | 0 | 113.5 | | |
| 235 | S | 39.7 | Very low | 44.1 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | -162.6 | 145.1 | 165.2 | -102.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 236 | K | 42.5 | Very low | 44.1 | Very low | 199 Ų | 199 | 130.2 Ų | 130.2 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | 64.3 | 105.9 | 152.1 | -63.9 | 173.8 | -176.4 | 175.6 | 0 | 121.1 | | |
| 237 | A | 41.4 | Very low | 43.2 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | -165.1 | 147.4 | 109.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 238 | S | 38.4 | Very low | 42.7 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -139.4 | -169.4 | -177.8 | -43.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 239 | P | 51.1 | Low | 42.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | cis | -134.8 | 177.9 | -12 | 41.8 | -25.7 | 0 | 0 | 0 | 114.7 | | |
| 240 | A | 42.4 | Very low | 42.2 | Very low | 90 Ų | 90 | 130.2 Ų | 130.2 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | | | trans | 177.1 | 121.6 | 131.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 241 | Q | 46.6 | Very low | 42.2 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | 31.4 | 141.9 | 137 | -65.8 | -171.7 | -106.6 | 0 | 0 | 122.1 | | |
| 242 | D | 43.9 | Very low | 41.9 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | cis | -144.6 | 166.9 | 14.7 | -97.9 | -35 | 0 | 0 | 0 | 114.3 | | |
| 243 | G | 38.7 | Very low | 41.8 | Very low | 72 Ų | 72 | 132.4 Ų | 132.4 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | | | trans | -92.6 | -178.4 | 172 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 244 | R | 43.7 | Very low | 41.5 | Very low | 250 Ų | 250 | 132.7 Ų | 132.7 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | | | cis | -156.4 | 179 | 39.3 | -117 | -156.8 | 161.2 | -160.3 | -2.8 | 112.2 | | |
| 245 | P | 42.8 | Very low | 40.9 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 63% | 0.63 | 78% | 0.777 | S | S | * | * | | | trans | -105.5 | 171 | -156.4 | 41.7 | -39.9 | 0 | 0 | 0 | 116.9 | | |
| 246 | P | 42.4 | Very low | 41.3 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | trans | -82.2 | 158.9 | 166.5 | 35.2 | -35.5 | 0 | 0 | 0 | 113.1 | | |
| 247 | Q | 43.8 | Very low | 41.4 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | | | trans | -120 | 157.7 | 166.3 | -75.4 | -168.2 | 7.3 | 0 | 0 | 112.4 | | |
| 248 | T | 36 | Very low | 41.3 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -53.3 | 136.8 | -172.7 | 43.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 249 | A | 38.9 | Very low | 41.3 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | | 84.7 | 120.6 | 124.1 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 250 | A | 39.7 | Very low | 41.3 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 77% | 0.773 | S | S | * | * | | | | 85.2 | 138.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 251 | R | 39 | Very low | 41.3 | Very low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | 69.7 | 147.7 | 156.2 | -79 | -174.5 | 153.8 | 144.9 | -0.3 | 118.2 | | |
| 252 | E | 34.1 | Very low | 41.1 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | cis | -159.1 | 160.7 | -20.7 | -145.7 | 172.9 | 89 | 0 | 0 | 109.7 | | |
| 253 | A | 38.8 | Very low | 41.1 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | 54.4 | 137.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 254 | T | 38.8 | Very low | 41.2 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | | 127 | 120.9 | 127.7 | -45.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 255 | S | 36.1 | Very low | 41.2 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | trans | 53.2 | 132.8 | 156.2 | 69.3 | 0 | 0 | 0 | 0 | 121.2 | | |
| 256 | I | 48 | Very low | 41.7 | Very low | 158 Ų | 158 | 128.9 Ų | 128.9 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | cis | 68.6 | 141 | 39.1 | -54.3 | 171.4 | 0 | 0 | 0 | 112 | | |
| 257 | P | 44.7 | Very low | 41.8 | Very low | 126 Ų | 126 | 130.2 Ų | 130.2 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | cis | -126.4 | -171.4 | -4.1 | 34.5 | -14.5 | 0 | 0 | 0 | 115 | | |
| 258 | G | 38.3 | Very low | 42.5 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | trans | 167.4 | 100.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 259 | F | 39.1 | Very low | 42.9 | Very low | 210 Ų | 210 | 126.3 Ų | 126.3 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | trans | -107.9 | -176.4 | 167.4 | -82 | -76.4 | 0 | 0 | 0 | 109.3 | | |
| 260 | P | 50.8 | Low | 43.3 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | | | cis | -148 | -162.2 | 17.3 | 45.7 | -24.1 | 0 | 0 | 0 | 117.7 | | |
| 261 | A | 43.3 | Very low | 43.5 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 74.7 | 153.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 262 | E | 41.4 | Very low | 43.7 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | cis | -172.1 | 149.2 | -24.2 | 175.5 | 170.9 | -171.3 | 0 | 0 | 108.2 | | |
| 263 | G | 44.3 | Very low | 44.1 | Very low | 70 Ų | 70 | 128.3 Ų | 128.3 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 156.5 | 93.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 264 | A | 41.2 | Very low | 44.3 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | 55.7 | 155.5 | 142.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 265 | I | 44.2 | Very low | 44.3 | Very low | 148 Ų | 148 | 133.7 Ų | 133.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | trans | -111.6 | 164.2 | -176.8 | -25.7 | 176.5 | 0 | 0 | 0 | 110.3 | | |
| 266 | P | 51.8 | Low | 44.4 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | | -147.2 | 165.4 | 106.1 | 38.2 | -23.1 | 0 | 0 | 0 | 116.4 | | |
| 267 | L | 46 | Very low | 43.9 | Very low | 151 Ų | 151 | 131.7 Ų | 131.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -135.2 | 146.1 | 170.4 | -69 | 176.7 | 0 | 0 | 0 | 111.3 | | |
| 268 | P | 58.7 | Low | 43.7 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | trans | -126.4 | 137.9 | 142.6 | 35.2 | -24.6 | 0 | 0 | 0 | 110.6 | | |
| 269 | V | 43.8 | Very low | 43.8 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | | | cis | 85.5 | 109.9 | 28.5 | -173.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 270 | D | 46.3 | Very low | 44.2 | Very low | 133 Ų | 133 | 133.2 Ų | 133.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 57.5 | 132.9 | 158.4 | -58.5 | -13.7 | 0 | 0 | 0 | 122.2 | | |
| 271 | F | 44.1 | Very low | 43.6 | Very low | 215 Ų | 215 | 132 Ų | 132 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | | | | -161.5 | 148.2 | 99.4 | -108.6 | -78.3 | 0 | 0 | 0 | 112 | | |
| 272 | L | 44.3 | Very low | 43.6 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -101.4 | 168 | -172.5 | -70.1 | 165.9 | 0 | 0 | 0 | 113.5 | | |
| 273 | S | 41.6 | Very low | 43.6 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | 93.1 | 154.1 | 159.9 | -53.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 274 | K | 43 | Very low | 43.9 | Very low | 184 Ų | 184 | 133.3 Ų | 133.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | cis | -173.3 | -179.5 | -16.4 | -99.2 | 167.3 | -166.5 | 173.5 | 0 | 107.9 | | |
| 275 | V | 38.7 | Very low | 43.9 | Very low | 130 Ų | 130 | 136 Ų | 136 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | | | trans | 95.4 | 131.1 | 149.6 | -167.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 276 | S | 39.3 | Very low | 43.8 | Very low | 77 Ų | 77 | 132.1 Ų | 132.1 | 54% | 0.538 | 76% | 0.762 | S | S | . | * | | | trans | 49.1 | 144.9 | 160.1 | -70.4 | 0 | 0 | 0 | 0 | 122.3 | E278 | S276-E278 WeakPolarHBondContact CB-OE2 3.42Å; S276-E278 PolarHBondContact OG-OE2 2.93Å |
| 277 | T | 37.6 | Very low | 43.3 | Very low | 136 Ų | 136 | 132.8 Ų | 132.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | cis | 77.6 | 91 | 0.4 | -43.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 278 | E | 39.2 | Very low | 42.8 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -173.4 | 143.1 | 173.2 | -97.9 | 136.5 | 72.6 | 0 | 0 | 108.7 | S276 | S276-E278 WeakPolarHBondContact CB-OE2 3.42Å; S276-E278 PolarHBondContact OG-OE2 2.93Å |
| 279 | I | 41.6 | Very low | 42 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | cis | -150.3 | 145.8 | -14.5 | -53.7 | -178.1 | 0 | 0 | 0 | 108.4 | | |
| 280 | P | 47.2 | Very low | 41.6 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | | | trans | -109.8 | 171.4 | 177.4 | 40.9 | -34.4 | 0 | 0 | 0 | 116.5 | | |
| 281 | A | 39 | Very low | 41.1 | Very low | 89 Ų | 89 | 136.2 Ų | 136.2 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -160 | 110.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 282 | S | 43.1 | Very low | 40.8 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | | 74 | 107.7 | 81.6 | 70.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 283 | E | 41.1 | Very low | 40.4 | Very low | 185 Ų | 185 | 133.4 Ų | 133.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | | | | 80.8 | 158.3 | 69.5 | -92 | -151 | 123.3 | 0 | 0 | 115.3 | | |
| 284 | P | 51.2 | Low | 40.2 | Very low | 94 Ų | 94 | 132.1 Ų | 132.1 | 61% | 0.61 | 79% | 0.787 | S | S | * | * | | | cis | -136.7 | -152.6 | -13.5 | 37.7 | -16.2 | 0 | 0 | 0 | 113.9 | | |
| 285 | D | 39.4 | Very low | 39.7 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | | | trans | 68.2 | 140.8 | 168.6 | -70 | -29.8 | 0 | 0 | 0 | 119.4 | | |
| 286 | G | 43.4 | Very low | 39.9 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | | | cis | -175 | 146.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 287 | P | 39.7 | Very low | 40.2 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -101.6 | 147.3 | -162.1 | 37 | -35.1 | 0 | 0 | 0 | 116.3 | | |
| 288 | S | 36 | Very low | 40.7 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -153.6 | 141.5 | 161.6 | -168.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 289 | V | 41.8 | Very low | 41.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | -62.9 | 145 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 113 | | |
| 290 | G | 36.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | -173.4 | 48.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | A292 | G290-A292 PolarHBondContact O-N 2.77Š|
| 291 | R | 34.6 | Very low | 41 | Very low | 251 Ų | 251 | 138 Ų | 138 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | | | trans | -47.5 | 118 | 175.5 | 172 | -156.6 | -174.2 | -171 | 4.9 | 116 | | |
| 292 | A | 38.5 | Very low | 41.5 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | | | trans | -171.9 | 131.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | G290 | G290-A292 PolarHBondContact O-N 2.77Š|
| 293 | K | 36.4 | Very low | 41.9 | Very low | 220 Ų | 220 | 141.2 Ų | 141.2 | 96% | 0.957 | 80% | 0.8 | S | S | * | * | | | trans | 35.9 | 131.4 | 150.8 | -71.1 | -173.5 | 172.7 | -175.4 | 0 | 123.1 | | |
| 294 | G | 36.8 | Very low | 42.3 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | 130.7 | 92.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 295 | Q | 32.8 | Very low | 42.6 | Very low | 206 Ų | 206 | 140.4 Ų | 140.4 | 96% | 0.963 | 79% | 0.793 | S | S | * | * | | | | 55.6 | 75 | 73.8 | -69.8 | -162.9 | -89.5 | 0 | 0 | 114.2 | | |
| 296 | D | 42.2 | Very low | 43 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -150.3 | 87.4 | 164.2 | -161.6 | 30.2 | 0 | 0 | 0 | 105.2 | | |
| 297 | A | 45.1 | Very low | 43.7 | Very low | 78 Ų | 78 | 143.7 Ų | 143.7 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | | 76.7 | 137.1 | 68.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 298 | P | 48.4 | Very low | 44.7 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -69.2 | 155.6 | 178.4 | 30.7 | -35.1 | 0 | 0 | 0 | 110.8 | E300 | P298-E300 VanDerWaalsContact C-N 3.26Å; P298-E300 PolarHBondContact O-N 2.8Å |
| 299 | L | 49.5 | Very low | 46 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | | | trans | -67.8 | 75.2 | -179.3 | -74 | 163.7 | 0 | 0 | 0 | 112.5 | F301 | L299-F301 PolarHBondContact O-N 3.24Š|
| 300 | E | 40.9 | Very low | 46.3 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | -71.5 | 115.3 | 167.8 | -70 | -159.5 | 139 | 0 | 0 | 110.3 | P298 T302 | P298-E300 VanDerWaalsContact C-N 3.26Å; P298-E300 PolarHBondContact O-N 2.8Å; E300-T302 PolarHBondContact O-N 3.26Å |
| 301 | F | 45.3 | Very low | 46.9 | Very low | 201 Ų | 201 | 143.8 Ų | 143.8 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 72.9 | 174.3 | -122.3 | -91.7 | 0 | 0 | 0 | 110.1 | L299 F303 | L299-F301 PolarHBondContact O-N 3.24Å; F301-F303 PolarHBondContact O-N 2.97Å |
| 302 | T | 49.6 | Very low | 47.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 58% | 0.583 | 76% | 0.755 | S | S | * | * | | | trans | -67.6 | 98.3 | -178.6 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | E300 H304 | E300-T302 PolarHBondContact O-N 3.26Å; T302-H304 PolarHBondContact O-N 3.01Å |
| 303 | F | 50.5 | Low | 47.6 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 73% | 0.732 | 75% | 0.754 | S | S | * | * | | | trans | -74.8 | 108 | 170.3 | 53.1 | -89 | 0 | 0 | 0 | 110.1 | F301 V305 | F301-F303 PolarHBondContact O-N 2.97Å; F303-V305 HydrophobicContact CD2-CG2 3.97Å; F303-V305 PolarHBondContact O-N 3.36Å |
| 304 | H | 50.6 | Low | 47.5 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | | | trans | -77.5 | 102.9 | 167.5 | -71.5 | -12.1 | 0 | 0 | 0 | 109.8 | T302 | T302-H304 PolarHBondContact O-N 3.01Š|
| 305 | V | 57.4 | Low | 47.5 | Very low | 88 Ų | 88 | 145.9 Ų | 145.9 | 53% | 0.533 | 75% | 0.752 | S | S | . | * | | | trans | -99.8 | 94.6 | 169.3 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | F303 I307 | F303-V305 HydrophobicContact CD2-CG2 3.97Å; F303-V305 PolarHBondContact O-N 3.36Å; V305-I307 HydrophobicContact CG1-CD1 4.4Å; V305-I307 HydrophobicContact CG1-CG1 3.93Å; V305-I307 PolarHBondContact O-N 3.06Å |
| 306 | E | 46.4 | Very low | 47.6 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | | | trans | -84.8 | 101.3 | 179 | -171.8 | 174.3 | -135.5 | 0 | 0 | 110.3 | T308 | E306-T308 HydrophobicContact CG-CG2 4.49Å; E306-T308 PolarHBondContact O-N 3.23Å |
| 307 | I | 58.9 | Low | 47.3 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | | | trans | -87.4 | 89.2 | -178.8 | -52.8 | -178.2 | 0 | 0 | 0 | 109.7 | V305 | V305-I307 HydrophobicContact CG1-CD1 4.4Å; V305-I307 HydrophobicContact CG1-CG1 3.93Å; V305-I307 PolarHBondContact O-N 3.06Å |
| 308 | T | 60.1 | Low | 46.9 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | | | trans | -83.8 | 127.5 | 170.5 | 38.5 | 0 | 0 | 0 | 0 | 111.2 | E306 N310 | E306-T308 HydrophobicContact CG-CG2 4.49Å; E306-T308 PolarHBondContact O-N 3.23Å; T308-N310 PolarHBondContact O-N 3.4Å |
| 309 | P | 64.4 | Low | 46.3 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -76.2 | 96.6 | 179.5 | 29.7 | -33.9 | 0 | 0 | 0 | 111.3 | V311 | P309-V311 PolarHBondContact O-N 3.08Š|
| 310 | N | 48.1 | Very low | 45.5 | Very low | 123 Ų | 123 | 146 Ų | 146 | 66% | 0.658 | 74% | 0.742 | S | S | * | * | | | trans | -73.8 | 88.5 | 176.4 | -179.7 | 34.2 | 0 | 0 | 0 | 111.8 | T308 Q312 | T308-N310 PolarHBondContact O-N 3.4Å; N310-Q312 PolarHBondContact ND2-NE2 2.89Å; N310-Q312 PolarHBondContact O-N 3.25Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.45Å |
| 311 | V | 48.9 | Very low | 45.3 | Very low | 130 Ų | 130 | 146.2 Ų | 146.2 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | | | trans | -77.9 | 95.2 | 171.6 | -178.6 | 0 | 0 | 0 | 0 | 109.6 | P309 | P309-V311 PolarHBondContact O-N 3.08Š|
| 312 | Q | 44.9 | Very low | 45.1 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | -88.1 | 112.3 | 168.2 | -70.1 | -167.3 | -2.5 | 0 | 0 | 110.7 | N310 | N310-Q312 PolarHBondContact ND2-NE2 2.89Å; N310-Q312 PolarHBondContact O-N 3.25Å; N310-Q312 WeakPolarHBondContact OD1-CG 3.45Å |
| 313 | K | 41.8 | Very low | 44.1 | Very low | 169 Ų | 169 | 142.6 Ų | 142.6 | 74% | 0.735 | 75% | 0.746 | S | S | * | * | | | trans | -81.2 | 116.5 | -179.3 | -179.1 | 172.2 | 179.7 | 177.2 | 0 | 110.5 | | |
| 314 | E | 34.3 | Very low | 43.2 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 27 | 119.4 | 131.5 | -179.5 | -154.5 | 179.3 | 0 | 0 | 117.3 | | |
| 315 | Q | 37 | Very low | 42.7 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -145 | 125.5 | 146.1 | -162.7 | 170 | 12.8 | 0 | 0 | 112.7 | | |
| 316 | A | 34.6 | Very low | 41.7 | Very low | 70 Ų | 70 | 142.6 Ų | 142.6 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | | | trans | 49.1 | 112.8 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 317 | H | 37.3 | Very low | 41.4 | Very low | 186 Ų | 186 | 144 Ų | 144 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | | | | -172.9 | 126.3 | 115.2 | -88.8 | -60.9 | 0 | 0 | 0 | 108.3 | | |
| 318 | S | 35.2 | Very low | 41.1 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | cis | 159.5 | 87.4 | -21.4 | 45.6 | 0 | 0 | 0 | 0 | 105.6 | | |
| 319 | E | 35.9 | Very low | 39.7 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | | | trans | 177.9 | 99.7 | 172 | -103.4 | 170 | 161.8 | 0 | 0 | 104 | | |
| 320 | E | 34 | Very low | 38.6 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | cis | 72.5 | 152.1 | 49.9 | -134.9 | -156.5 | 141.4 | 0 | 0 | 114.5 | | |
| 321 | H | 35 | Very low | 38.6 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | 69.2 | 118 | -171.4 | -136.8 | -137.4 | 0 | 0 | 0 | 113 | | |
| 322 | L | 41.1 | Very low | 38.1 | Very low | 142 Ų | 142 | 138.4 Ų | 138.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | cis | -137.5 | 138.9 | 19.3 | -82.4 | 157.9 | 0 | 0 | 0 | 112.1 | | |
| 323 | G | 30.1 | Very low | 37.9 | Very low | 77 Ų | 77 | 140.7 Ų | 140.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -125.1 | 129.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 324 | R | 32 | Very low | 37.5 | Very low | 243 Ų | 243 | 136.1 Ų | 136.1 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | | | trans | -178.6 | 94.3 | 164.1 | -170.9 | 176.4 | -172.5 | -145.8 | 2.5 | 113.6 | | |
| 325 | A | 39.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | | | trans | -174.4 | 104.5 | 152.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 326 | A | 36.7 | Very low | 37.8 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | cis | 80.3 | 107.6 | 39.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 327 | F | 39.4 | Very low | 37.8 | Very low | 201 Ų | 201 | 136.1 Ų | 136.1 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -21.2 | 153.1 | 170.5 | -50.3 | -85.1 | 0 | 0 | 0 | 119.1 | | |
| 328 | P | 52.7 | Low | 37.6 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 86% | 0.857 | 81% | 0.814 | S | S | * | * | | | | -138.6 | 167.2 | 85.5 | 39.4 | -27.6 | 0 | 0 | 0 | 115.2 | | |
| 329 | G | 30.2 | Very low | 37.5 | Very low | 66 Ų | 66 | 138.7 Ų | 138.7 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | | | cis | 141.1 | 72.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 330 | A | 41.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | 64.5 | 177.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 331 | P | 49 | Very low | 38.7 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | cis | -92.5 | 179.4 | 8.2 | 39.6 | -36.7 | 0 | 0 | 0 | 114 | | |
| 332 | G | 37.3 | Very low | 38.9 | Very low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 81% | 0.809 | S | S | * | * | | | cis | 132 | 140.5 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 333 | E | 40.8 | Very low | 38.9 | Very low | 212 Ų | 212 | 127.6 Ų | 127.6 | 99% | 0.991 | 81% | 0.812 | S | S | * | * | | | trans | 68.6 | 144.6 | 178.8 | -48.8 | 176.3 | 161 | 0 | 0 | 114.2 | | |
| 334 | G | 34.5 | Very low | 39.5 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | | | cis | 150.9 | 165 | 0.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 335 | P | 41.2 | Very low | 40.2 | Very low | 134 Ų | 134 | 125 Ų | 125 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | cis | -128.5 | -137.6 | -9.5 | 43.7 | -24.1 | 0 | 0 | 0 | 112.3 | | |
| 336 | E | 35.5 | Very low | 40.4 | Very low | 184 Ų | 184 | 125.8 Ų | 125.8 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -77.6 | 154.6 | -172.9 | -64.5 | -178.5 | 88.8 | 0 | 0 | 117.8 | | |
| 337 | A | 35.2 | Very low | 40.8 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 52.5 | 64.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 338 | R | 32.7 | Very low | 41 | Very low | 257 Ų | 257 | 126.1 Ų | 126.1 | 97% | 0.97 | 78% | 0.776 | S | S | * | * | | | trans | -175.8 | 144.9 | 138.9 | -110.2 | 172.8 | 176.6 | -153.9 | -0.8 | 113.2 | | |
| 339 | G | 33.1 | Very low | 40.2 | Very low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | 102.5 | 153.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 340 | P | 53.2 | Low | 40.8 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -119.8 | 155.9 | -169.1 | 41 | -29.4 | 0 | 0 | 0 | 115.2 | | |
| 341 | S | 41.5 | Very low | 40.7 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | | 167.3 | 136.5 | 110.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 342 | L | 40.9 | Very low | 40.6 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | | | trans | 33.9 | 118.2 | 143.6 | -72.2 | 157.3 | 0 | 0 | 0 | 119.8 | E344 | L342-E344 HydrophobicContact CD2-CG 4.41Š|
| 343 | G | 40.8 | Very low | 40.5 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -167.2 | 50.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D345 | G343-D345 PolarHBondContact O-N 3.24Š|
| 344 | E | 42.2 | Very low | 40.7 | Very low | 152 Ų | 152 | 129.4 Ų | 129.4 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | | | trans | -46.5 | 122.7 | -178.5 | -71.8 | 171.2 | 120.7 | 0 | 0 | 111 | L342 | L342-E344 HydrophobicContact CD2-CG 4.41Š|
| 345 | D | 45.9 | Very low | 40.8 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | | | | 65.4 | 154.1 | 100 | -81.4 | -75.9 | 0 | 0 | 0 | 113.2 | G343 K347 | G343-D345 PolarHBondContact O-N 3.24Å; D345-K347 IonicContact OD1-NZ 2.65Å; D345-K347 PolarHBondContact OD1-NZ 2.78Å |
| 346 | T | 45.1 | Very low | 40.5 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | | | cis | -167 | 168.9 | 18.9 | 12.7 | 0 | 0 | 0 | 0 | 105.8 | | |
| 347 | K | 44.8 | Very low | 40.5 | Very low | 135 Ų | 135 | 129.8 Ų | 129.8 | 59% | 0.587 | 74% | 0.74 | S | S | * | * | | | cis | -159.3 | 147.2 | -31.3 | -110.9 | -173 | -176.8 | 78.7 | 0 | 104.7 | D345 | D345-K347 IonicContact OD1-NZ 2.65Å; D345-K347 PolarHBondContact OD1-NZ 2.78Å |
| 348 | E | 41.9 | Very low | 40.6 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | | 47.5 | 126.3 | 91.8 | -53.8 | -171 | 133.5 | 0 | 0 | 113.9 | | |
| 349 | A | 37.8 | Very low | 41.1 | Very low | 92 Ų | 92 | 127.4 Ų | 127.4 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | | | cis | 83.3 | 126.3 | 40.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 350 | D | 41.5 | Very low | 41 | Very low | 148 Ų | 148 | 128.7 Ų | 128.7 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | | | trans | -154.9 | 130.4 | 154.2 | -120.3 | -17.4 | 0 | 0 | 0 | 102.6 | | |
| 351 | L | 40.7 | Very low | 40.3 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | cis | 60.1 | 148.3 | 42.1 | -63 | 176.1 | 0 | 0 | 0 | 112.9 | | |
| 352 | P | 46 | Very low | 39.9 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | cis | -125.9 | 174.4 | 9.6 | 43.2 | -29.6 | 0 | 0 | 0 | 115.9 | | |
| 353 | E | 35.3 | Very low | 40.1 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | | | trans | -71.7 | -173.2 | 152.4 | -119.2 | -154.2 | 125.8 | 0 | 0 | 110.4 | | |
| 354 | P | 45.5 | Very low | 40.2 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | | | cis | -134.7 | -170.7 | -6.7 | 30.2 | -7.2 | 0 | 0 | 0 | 114.8 | | |
| 355 | S | 35.6 | Very low | 39.9 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | | | trans | 110 | 153.1 | 132.4 | 80.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 356 | E | 36.2 | Very low | 40.2 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | | | trans | 79.8 | 97.4 | 161.5 | -59.1 | -82 | 88.5 | 0 | 0 | 120.9 | | |
| 357 | K | 34.7 | Very low | 40.2 | Very low | 161 Ų | 161 | 134 Ų | 134 | 70% | 0.7 | 76% | 0.761 | S | S | * | * | | | | 48.1 | 115.2 | 125.7 | -57.3 | 164.9 | -176.9 | 146.8 | 0 | 120.8 | | |
| 358 | Q | 37.4 | Very low | 40.1 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | | 175.8 | 154.8 | 99.9 | -102.4 | -177.4 | -136.8 | 0 | 0 | 113.3 | | |
| 359 | P | 42.1 | Very low | 40 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -99 | 171.3 | 172.7 | 39 | -34 | 0 | 0 | 0 | 114 | | |
| 360 | A | 31.2 | Very low | 40.4 | Very low | 102 Ų | 102 | 136 Ų | 136 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | | | trans | 70.6 | 114.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 361 | A | 38.3 | Very low | 40.3 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 88% | 0.876 | 76% | 0.758 | S | S | * | * | | | | -161.7 | 151 | 124.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 362 | A | 33.6 | Very low | 40.7 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | | | trans | -109.6 | -167.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 363 | P | 45.1 | Very low | 40.3 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | | | cis | -132.6 | 161 | -13.2 | 39.4 | -24.2 | 0 | 0 | 0 | 114.5 | | |
| 364 | R | 43.6 | Very low | 40.6 | Very low | 254 Ų | 254 | 134.7 Ų | 134.7 | 96% | 0.958 | 76% | 0.762 | S | S | * | * | | | trans | -177.2 | 142.2 | 145.3 | -94.7 | 139.2 | -160.4 | -104.5 | 4.7 | 108.9 | | |
| 365 | G | 36.4 | Very low | 40.1 | Very low | 68 Ų | 68 | 138.4 Ų | 138.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | cis | 129 | 56.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 366 | K | 51.7 | Low | 40.4 | Very low | 204 Ų | 204 | 138 Ų | 138 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -165.3 | 133 | 148 | -106.7 | 158 | -171.7 | -175.8 | 0 | 111.6 | | |
| 367 | P | 44.8 | Very low | 40.5 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | | | trans | -132.3 | -158.8 | -174.1 | 30.5 | -5.3 | 0 | 0 | 0 | 112.7 | | |
| 368 | V | 42.5 | Very low | 40.8 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | 72 | 121.2 | 160.9 | -178.2 | 0 | 0 | 0 | 0 | 115 | | |
| 369 | S | 40.7 | Very low | 40.9 | Very low | 81 Ų | 81 | 140.4 Ų | 140.4 | 57% | 0.566 | 79% | 0.786 | S | S | * | * | | | cis | 94.1 | 150.2 | 23.1 | 91 | 0 | 0 | 0 | 0 | 116.7 | | |
| 370 | R | 44.6 | Very low | 41.5 | Very low | 225 Ų | 225 | 140.1 Ų | 140.1 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | | | trans | 77 | 113.3 | 165.5 | -59.1 | 163.9 | -172.9 | -165.8 | -0.7 | 116.1 | | |
| 371 | V | 40.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 145.3 Ų | 145.3 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | | | | 59.5 | 119 | 76.9 | 176.1 | 0 | 0 | 0 | 0 | 114.2 | Q373 | V371-Q373 HydrophobicContact CG1-CG 3.85Š|
| 372 | P | 48.2 | Very low | 42.8 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -103.5 | 129.1 | 139.7 | -7.9 | 27.1 | 0 | 0 | 0 | 111.6 | | |
| 373 | Q | 38.1 | Very low | 43.9 | Very low | 135 Ų | 135 | 149.1 Ų | 149.1 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | | | trans | -104.2 | 120.6 | 166.4 | -75.1 | -172.8 | 10.7 | 0 | 0 | 110.6 | V371 | V371-Q373 HydrophobicContact CG1-CG 3.85Š|
| 374 | L | 42 | Very low | 43.8 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 93% | 0.932 | 79% | 0.785 | S | S | * | * | | | trans | -151.7 | 112.9 | 159.1 | -69.9 | -179.6 | 0 | 0 | 0 | 106.8 | | |
| 375 | K | 34.2 | Very low | 43.8 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | cis | 92.9 | 54.5 | 9.3 | -145 | 175.2 | -170.5 | 171.6 | 0 | 118 | | |
| 376 | A | 41.9 | Very low | 44.1 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -138.7 | 135.8 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 377 | R | 40 | Very low | 43.7 | Very low | 232 Ų | 232 | 140.6 Ų | 140.6 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | cis | 64.9 | 83.1 | 18.4 | -90.1 | -165.3 | 75.9 | 162.1 | 3 | 116 | | |
| 378 | M | 39.7 | Very low | 43.7 | Very low | 171 Ų | 171 | 140.3 Ų | 140.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | | 174.1 | 131 | 129.8 | -94.4 | 159.6 | 66.3 | 0 | 0 | 107.5 | | |
| 379 | V | 39.4 | Very low | 43.8 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | | | cis | 63.4 | 107.3 | 46.6 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 380 | S | 55.9 | Low | 44.3 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | | -158 | 177.9 | 59.2 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 381 | K | 45.4 | Very low | 44.9 | Very low | 211 Ų | 211 | 140.3 Ų | 140.3 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -100.9 | 133.9 | 165.1 | -84.3 | -173.3 | 175.6 | -178.3 | 0 | 111.2 | | |
| 382 | S | 49.9 | Very low | 45.3 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | | | trans | -173.9 | 117.6 | 156.5 | 45.8 | 0 | 0 | 0 | 0 | 106.1 | | |
| 383 | K | 57.3 | Low | 45.2 | Very low | 177 Ų | 177 | 143.6 Ų | 143.6 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | cis | 75.9 | 124 | 34.9 | -172.2 | 163.2 | 176.3 | 167.8 | 0 | 114.4 | | |
| 384 | D | 43.4 | Very low | 45.7 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | | | trans | 67.1 | 138.4 | 173.9 | -56 | -25.1 | 0 | 0 | 0 | 117.8 | | |
| 385 | G | 43.9 | Very low | 45.7 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | 150.9 | 71.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 386 | T | 41.7 | Very low | 46.4 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | | | trans | -73.7 | 139.6 | 174.2 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 387 | G | 44 | Very low | 46.6 | Very low | 76 Ų | 76 | 143.5 Ų | 143.5 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -175.1 | 144.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 388 | S | 43.8 | Very low | 46.7 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -117.2 | -179.2 | -175.9 | 60 | 0 | 0 | 0 | 0 | 112.8 | | |
| 389 | D | 46.3 | Very low | 46.5 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | | | trans | 77.9 | 96 | 159.5 | -66.8 | -73.7 | 0 | 0 | 0 | 120.8 | | |
| 390 | D | 50.5 | Low | 46.4 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 65% | 0.647 | 80% | 0.799 | S | S | * | * | | | | 94.2 | 149.6 | 108.7 | -154.3 | 11.8 | 0 | 0 | 0 | 120.3 | | |
| 391 | K | 57.1 | Low | 45.5 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | 69.9 | 104.9 | 165.9 | -51.6 | -169 | 176.8 | 66.9 | 0 | 120.5 | | |
| 392 | K | 49.3 | Very low | 45.6 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | | | | 82 | 90.8 | 120.8 | -170.5 | -161.4 | 176.4 | -172.7 | 0 | 119.6 | | |
| 393 | A | 44.5 | Very low | 45.2 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -146.9 | 139 | 139.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 394 | K | 49.2 | Very low | 44.7 | Very low | 203 Ų | 203 | 135.8 Ų | 135.8 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -87.4 | 151.4 | -177.3 | -61.9 | 173.9 | 175.6 | 179.6 | 0 | 111.7 | | |
| 395 | T | 41.2 | Very low | 44.8 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 78% | 0.784 | S | S | * | * | | | | -163.5 | 154.3 | 119.1 | -77.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 396 | S | 49 | Very low | 44.7 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -67.9 | 160.4 | -175.8 | -154.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 397 | T | 47.2 | Very low | 44.6 | Very low | 134 Ų | 134 | 143 Ų | 143 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | cis | -146.3 | 144.1 | 23 | -58.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 398 | R | 41.3 | Very low | 44.5 | Very low | 239 Ų | 239 | 145.1 Ų | 145.1 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -150.1 | 133.2 | 173.4 | -148.5 | -165.8 | -170.6 | -162.2 | 4.2 | 113.2 | | |
| 399 | S | 35.4 | Very low | 44 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | 74.1 | 153.3 | 147.4 | -157.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 400 | S | 38.6 | Very low | 44 | Very low | 111 Ų | 111 | 146.2 Ų | 146.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | 86.5 | 142 | 147.3 | -57.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 401 | A | 36.4 | Very low | 43.5 | Very low | 82 Ų | 82 | 145.8 Ų | 145.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | cis | -172.2 | -174.7 | -18.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 402 | K | 46.6 | Very low | 42.9 | Very low | 191 Ų | 191 | 143.4 Ų | 143.4 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | 84.7 | 110.4 | 146.1 | -74.3 | 172.2 | -177.6 | -179.8 | 0 | 120.2 | | |
| 403 | T | 41.4 | Very low | 42.4 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 68% | 0.681 | 79% | 0.788 | S | S | * | * | | | | 89.3 | 91.5 | 110.1 | -57.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 404 | L | 47.2 | Very low | 41.9 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | | 89.6 | 130.8 | 124.8 | -65.8 | -179.5 | 0 | 0 | 0 | 123.3 | | |
| 405 | K | 46.4 | Very low | 41.8 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 86.8 | 117.9 | 132.3 | -77.2 | 168.4 | -176.7 | 179.3 | 0 | 121.3 | | |
| 406 | N | 41.2 | Very low | 41.5 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | 88.1 | 88.7 | 136.7 | -58.8 | 3.1 | 0 | 0 | 0 | 120.3 | | |
| 407 | R | 39.9 | Very low | 41.3 | Very low | 221 Ų | 221 | 141.4 Ų | 141.4 | 83% | 0.834 | 77% | 0.77 | S | S | * | * | | | | -17.7 | 139.1 | 127.6 | -165.8 | 163.8 | -169.3 | -151.9 | 2.7 | 112.7 | | |
| 408 | P | 41.8 | Very low | 40.8 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | -139.1 | 163 | 64.1 | 39.1 | -21.4 | 0 | 0 | 0 | 119.2 | | |
| 409 | C | 33 | Very low | 40.9 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | | | trans | -86 | 136.2 | 177.2 | -35.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 410 | L | 46.1 | Very low | 41.5 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | | | trans | -140.3 | 122.7 | 161.4 | -74.8 | 178.3 | 0 | 0 | 0 | 110.5 | | |
| 411 | S | 41 | Very low | 41.9 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -95.9 | -173.9 | 161.5 | -51.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 412 | P | 43.5 | Very low | 42.8 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | cis | -126.8 | 153.4 | -49.4 | 31.7 | -17.7 | 0 | 0 | 0 | 111.9 | | |
| 413 | K | 40 | Very low | 42.8 | Very low | 211 Ų | 211 | 133.3 Ų | 133.3 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -146.5 | 135.7 | 155.6 | -74.2 | -158.4 | 175.9 | -173.6 | 0 | 113.2 | | |
| 414 | H | 32.8 | Very low | 43.3 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | | | trans | -88 | 143.8 | 167.3 | 176.5 | -115.9 | 0 | 0 | 0 | 109.5 | T416 | H414-T416 PolarHBondContact CE1-OG1 3.22Å; H414-T416 PolarHBondContact NE2-OG1 3.18Å |
| 415 | P | 47.5 | Very low | 43.3 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | | -149.1 | 141.4 | 122.5 | 35.9 | -19.4 | 0 | 0 | 0 | 116.2 | | |
| 416 | T | 35.6 | Very low | 43.6 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -94.1 | 171.4 | 142.9 | 17 | 0 | 0 | 0 | 0 | 108.8 | H414 | H414-T416 PolarHBondContact CE1-OG1 3.22Å; H414-T416 PolarHBondContact NE2-OG1 3.18Å |
| 417 | P | 44 | Very low | 43.8 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | cis | -125.3 | -169.6 | -9.8 | 40.6 | -24.8 | 0 | 0 | 0 | 112.5 | | |
| 418 | G | 37.2 | Very low | 44 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | 175.1 | 100.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 419 | S | 43.8 | Very low | 44.6 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | trans | -33.5 | 142 | 166.3 | 167.5 | 0 | 0 | 0 | 0 | 119 | | |
| 420 | S | 48.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | | -166.5 | 137.4 | 118.8 | -76.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 421 | D | 46.7 | Very low | 44.7 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | -97.6 | 168.7 | 179 | -175.4 | 46.2 | 0 | 0 | 0 | 111.1 | L423 | D421-L423 PolarHBondContact OD2-N 3.38Š|
| 422 | P | 54.7 | Low | 44.6 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | | -148.9 | 125 | 106.9 | 35.3 | -17.2 | 0 | 0 | 0 | 117.2 | | |
| 423 | L | 47.1 | Very low | 44.7 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | | | | 45.8 | 114.5 | 125.5 | -83.5 | 160.8 | 0 | 0 | 0 | 119.7 | D421 | D421-L423 PolarHBondContact OD2-N 3.38Š|
| 424 | I | 51.5 | Low | 44.6 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 90% | 0.903 | 78% | 0.777 | S | S | * | * | | | | -157.7 | 152 | 123.4 | -99.5 | 149.2 | 0 | 0 | 0 | 109.4 | | |
| 425 | Q | 48 | Very low | 45.3 | Very low | 167 Ų | 167 | 123.4 Ų | 123.4 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | trans | -133.9 | -176.6 | -166.3 | -121.9 | -169.8 | 8 | 0 | 0 | 109.3 | | |
| 426 | P | 51.8 | Low | 45.4 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | cis | -139.7 | -173.2 | -10 | 36.7 | -16 | 0 | 0 | 0 | 116 | | |
| 427 | S | 44.5 | Very low | 45.6 | Very low | 116 Ų | 116 | 124.3 Ų | 124.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | 97.1 | 127.3 | 142 | -156.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 428 | S | 44.7 | Very low | 45.5 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -81.7 | -178.8 | 168.2 | -42.9 | 0 | 0 | 0 | 0 | 112 | | |
| 429 | P | 54.5 | Low | 45.9 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | | -138 | 165.4 | 90.3 | 39.5 | -28.6 | 0 | 0 | 0 | 114.8 | | |
| 430 | A | 39.1 | Very low | 45.8 | Very low | 96 Ų | 96 | 128 Ų | 128 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | | | trans | -129.5 | 139.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 431 | V | 42.4 | Very low | 45.3 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | -143.6 | 143.2 | 169.2 | -174.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 432 | C | 38 | Very low | 45 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -84.3 | -169.6 | -175.7 | -47.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 433 | P | 46.4 | Very low | 44.3 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | cis | -143.5 | 177.3 | 4.3 | 44.7 | -25.5 | 0 | 0 | 0 | 118.4 | | |
| 434 | E | 38.5 | Very low | 44 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -76.2 | -169.6 | 155.3 | -118.3 | -168.8 | 109.3 | 0 | 0 | 110.9 | | |
| 435 | P | 45.9 | Very low | 43.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | cis | -125.7 | -117.5 | -10.5 | 23 | 4 | 0 | 0 | 0 | 114.2 | | |
| 436 | P | 50.5 | Low | 43 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | | -128.6 | -172.8 | -107.2 | 42.1 | -25.7 | 0 | 0 | 0 | 116.9 | | |
| 437 | S | 39.9 | Very low | 42.5 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | | | trans | 94.7 | 146.6 | 159.3 | -156.3 | 0 | 0 | 0 | 0 | 118.7 | | |
| 438 | S | 41.5 | Very low | 42.3 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | -104.1 | 162.4 | 174.2 | 64.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 439 | P | 46.8 | Very low | 41.7 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | | -157.2 | 163.1 | 99.9 | 38.9 | -20.5 | 0 | 0 | 0 | 117.7 | | |
| 440 | K | 40 | Very low | 40.7 | Very low | 195 Ų | 195 | 129.3 Ų | 129.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | 45.2 | 132.4 | 142.7 | -58.2 | 161.2 | -170.2 | 171.3 | 0 | 119.1 | | |
| 441 | Y | 37.9 | Very low | 40.9 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | | 177.4 | 147.5 | 74.9 | -161 | -129.4 | 0 | 0 | 0 | 114.1 | | |
| 442 | V | 41.3 | Very low | 41.1 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 60% | 0.6 | 78% | 0.775 | S | S | * | * | | | trans | 44.5 | 114.3 | 159.8 | -60.8 | 0 | 0 | 0 | 0 | 126.8 | | |
| 443 | S | 39.4 | Very low | 41.3 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 1.7 | 140.5 | 131.5 | 61.1 | 0 | 0 | 0 | 0 | 125 | | |
| 444 | S | 41.4 | Very low | 41.2 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | | -159.7 | 129.2 | 128.8 | 38.9 | 0 | 0 | 0 | 0 | 108 | | |
| 445 | V | 39.8 | Very low | 41.6 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | cis | 93.8 | 85.6 | 42.3 | -179.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 446 | T | 38.6 | Very low | 41.4 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | trans | 45.6 | 115 | 139.6 | -35.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 447 | S | 40.7 | Very low | 41.4 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -161.9 | 128.4 | 138.9 | -80.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 448 | R | 41.1 | Very low | 41.5 | Very low | 224 Ų | 224 | 131.9 Ų | 131.9 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | | 71 | 104.4 | 61.5 | -78.5 | -163.3 | 172.5 | -154.2 | -1 | 115.4 | | |
| 449 | T | 31.1 | Very low | 41.9 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | 70.7 | 113.5 | 136.7 | -47.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 450 | G | 34.4 | Very low | 41.5 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | | 126.3 | 150.1 | 116.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 451 | S | 43.7 | Very low | 41.4 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | 96 | 150.9 | 145.1 | -146.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 452 | S | 45.6 | Very low | 41.6 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | 52.6 | 129.6 | 177.4 | 61.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 453 | G | 43.1 | Very low | 41.4 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | cis | 162.9 | 142 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 454 | A | 44.9 | Very low | 41.6 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | 67.3 | 148.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 455 | K | 45.2 | Very low | 41.4 | Very low | 167 Ų | 167 | 134 Ų | 134 | 73% | 0.726 | 79% | 0.794 | S | S | * | * | | | cis | -158.1 | 147.3 | -5.4 | -140.7 | -175.4 | 174.6 | -138.4 | 0 | 111.2 | | |
| 456 | E | 41.6 | Very low | 41.5 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | | | trans | 61.5 | 145.9 | 154.9 | -89.7 | 171.4 | 105.2 | 0 | 0 | 118.6 | | |
| 457 | M | 52.2 | Low | 41.6 | Very low | 153 Ų | 153 | 137 Ų | 137 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | cis | -151.1 | 135.4 | 11.7 | 55.2 | -179.4 | 161.5 | 0 | 0 | 110.1 | | |
| 458 | K | 41.2 | Very low | 41.3 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | | | | 77.4 | 115.6 | 96.2 | -171.9 | -174.2 | -176.8 | 178 | 0 | 112.1 | | |
| 459 | L | 49.1 | Very low | 41.2 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | cis | -164.9 | 171.9 | 10.5 | -82.8 | 166.9 | 0 | 0 | 0 | 107.8 | | |
| 460 | K | 40.1 | Very low | 41.8 | Very low | 184 Ų | 184 | 133 Ų | 133 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | | | cis | -176.8 | 116.4 | -21.4 | 163.4 | -115 | 169.7 | -168.7 | 0 | 111.3 | | |
| 461 | G | 36.5 | Very low | 42.4 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 81.2 | 176.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 462 | A | 41.9 | Very low | 42.3 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | cis | -159.8 | 167 | -8.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 463 | D | 38.8 | Very low | 42 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | | | trans | -70.3 | 159.4 | -173.4 | -52 | -103.6 | 0 | 0 | 0 | 116.2 | | |
| 464 | G | 43.1 | Very low | 41.9 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -165.2 | 102.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 465 | K | 37.3 | Very low | 41.9 | Very low | 213 Ų | 213 | 139.8 Ų | 139.8 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | | | trans | -128.7 | 91.4 | 169.7 | -86 | -173 | 176 | 177.5 | 0 | 111.5 | | |
| 466 | T | 40.8 | Very low | 42.1 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -151.9 | 117.1 | 171.6 | 19.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 467 | K | 40.6 | Very low | 42.3 | Very low | 179 Ų | 179 | 136.5 Ų | 136.5 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | | | | 62.8 | 110 | 78.7 | -75.4 | -165.3 | 175.1 | -174.3 | 0 | 115.1 | | |
| 468 | I | 35.7 | Very low | 41.8 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 56.1 | 111.3 | 135.6 | -50.2 | 165.8 | 0 | 0 | 0 | 118.1 | | |
| 469 | A | 38.3 | Very low | 42.2 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | | | trans | -166.6 | 139.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 470 | T | 42.9 | Very low | 41.8 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 81% | 0.813 | S | S | * | * | | | trans | -114.2 | 135.4 | 168.5 | -50.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 471 | P | 48 | Very low | 41.8 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | | | trans | -124.5 | 136.4 | 140.3 | 1.1 | 21.4 | 0 | 0 | 0 | 110.7 | | |
| 472 | R | 41.4 | Very low | 42.3 | Very low | 240 Ų | 240 | 133.6 Ų | 133.6 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | | | | 71.3 | 122.5 | 72 | -170.7 | -172.5 | -170.3 | 162.6 | 1.9 | 111.8 | | |
| 473 | G | 38.3 | Very low | 42.2 | Very low | 75 Ų | 75 | 133.4 Ų | 133.4 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | | | cis | 133.3 | 131.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 474 | A | 41.2 | Very low | 42.2 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -155.1 | 156 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 475 | A | 44.9 | Very low | 42.2 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | trans | -148.7 | -131.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 476 | P | 50 | Low | 42.4 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | | -120.8 | -160 | -119.5 | 43.3 | -24.7 | 0 | 0 | 0 | 112.8 | | |
| 477 | P | 45.7 | Very low | 42.7 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | cis | -140 | 175.4 | -1.4 | 43.8 | -26.3 | 0 | 0 | 0 | 117.7 | | |
| 478 | G | 42 | Very low | 43 | Very low | 71 Ų | 71 | 132.3 Ų | 132.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 132.3 | 154 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 479 | Q | 49.6 | Very low | 43.4 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | | | cis | -147.7 | 169 | -5.6 | -69.5 | -168.4 | -19.1 | 0 | 0 | 112.6 | | |
| 480 | K | 40.1 | Very low | 43.3 | Very low | 188 Ų | 188 | 130.5 Ų | 130.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | trans | -27.6 | 156.6 | 170.1 | -52.8 | 163.7 | -175.2 | 176.1 | 0 | 116.8 | | |
| 481 | G | 40.1 | Very low | 43.2 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | cis | -176.9 | -157.2 | 9.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 482 | Q | 47.4 | Very low | 43 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | cis | -169.2 | 139.2 | -14.4 | -103.8 | 156.8 | -121.2 | 0 | 0 | 106.8 | | |
| 483 | A | 41.1 | Very low | 43.4 | Very low | 90 Ų | 90 | 129.4 Ų | 129.4 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | | | | 54.7 | 136.6 | 89.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 484 | N | 38.4 | Very low | 43.8 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | cis | -157.8 | 172.2 | 7.2 | -147.9 | -14.6 | 0 | 0 | 0 | 114.3 | | |
| 485 | A | 41.6 | Very low | 43.9 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | trans | -68.2 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 486 | T | 42.6 | Very low | 43.8 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | | 155.7 | 139.5 | 121.8 | -67.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 487 | R | 46.4 | Very low | 43.4 | Very low | 228 Ų | 228 | 135.4 Ų | 135.4 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | 73.3 | 126.6 | 157 | -84.9 | 165.8 | -172.8 | -93.6 | -0.5 | 123.4 | | |
| 488 | I | 47.2 | Very low | 43 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | | | trans | -93.2 | 149.9 | 150.5 | -56.8 | 163.2 | 0 | 0 | 0 | 108.6 | | |
| 489 | P | 44.5 | Very low | 43.5 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -141 | 146.2 | 134.6 | 35.9 | -22.1 | 0 | 0 | 0 | 114.2 | | |
| 490 | A | 36.2 | Very low | 43.4 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | | | trans | -99.4 | 159.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 491 | K | 41.6 | Very low | 43.4 | Very low | 210 Ų | 210 | 131.1 Ų | 131.1 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | trans | -163.2 | 125.4 | 166.7 | -109.5 | 165.7 | -175.1 | -177.8 | 0 | 113.9 | | |
| 492 | T | 42.4 | Very low | 43.5 | Very low | 135 Ų | 135 | 133 Ų | 133 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -86.8 | -171.4 | 161.1 | 14.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 493 | P | 50.1 | Low | 43.3 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | | | cis | -119.6 | -146.4 | 4 | 39.8 | -18.2 | 0 | 0 | 0 | 110.8 | | |
| 494 | P | 47.3 | Very low | 43.4 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | cis | -136.6 | -152.6 | -4.4 | 44.3 | -23.3 | 0 | 0 | 0 | 115.3 | | |
| 495 | A | 42.1 | Very low | 43.9 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -137.4 | 178 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 496 | P | 44.3 | Very low | 44.2 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | | | trans | -157.5 | 151.5 | 130.7 | 36.4 | -16.6 | 0 | 0 | 0 | 120.7 | | |
| 497 | K | 41.8 | Very low | 44.3 | Very low | 203 Ų | 203 | 133.8 Ų | 133.8 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 86.4 | 119.7 | 138.9 | -71.3 | 160 | -167.6 | 175.3 | 0 | 124.3 | | |
| 498 | T | 37.4 | Very low | 43.9 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -84.5 | -160.7 | 157.5 | 12.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 499 | P | 50.8 | Low | 43.5 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | cis | -136.5 | -143.5 | 8 | 45.5 | -23.1 | 0 | 0 | 0 | 112.4 | | |
| 500 | P | 49.2 | Very low | 43.1 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | cis | -137.2 | -175.3 | -15.4 | 40.5 | -21.7 | 0 | 0 | 0 | 117.1 | | |
| 501 | S | 39 | Very low | 43.5 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | 77.9 | 137.8 | 157.6 | -158 | 0 | 0 | 0 | 0 | 117.8 | | |
| 502 | S | 42.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | cis | -173.2 | 157.7 | -23.3 | -165.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 503 | G | 42.6 | Very low | 43.1 | Very low | 64 Ų | 64 | 124.8 Ų | 124.8 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | | | cis | 153.3 | 174.9 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 504 | E | 44.5 | Very low | 42.5 | Very low | 182 Ų | 182 | 128.6 Ų | 128.6 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | 76.6 | 150.1 | 159.3 | -70.5 | -105.8 | 84.8 | 0 | 0 | 120.2 | | |
| 505 | P | 48.9 | Very low | 42.1 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | | | | -145.1 | -135.3 | -123.7 | 45 | -22.4 | 0 | 0 | 0 | 112.9 | | |
| 506 | P | 47.7 | Very low | 42.4 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | | | cis | -122.6 | -167.3 | -43.9 | 34 | -16.1 | 0 | 0 | 0 | 112.8 | | |
| 507 | K | 44.1 | Very low | 42.5 | Very low | 185 Ų | 185 | 123.4 Ų | 123.4 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | trans | 98.8 | 107.9 | 165.3 | -59.6 | 158.5 | -174.8 | 170.6 | 0 | 114.6 | | |
| 508 | S | 37.4 | Very low | 42.2 | Very low | 119 Ų | 119 | 115.3 Ų | 115.3 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | | | | 82.7 | 108.6 | 57.8 | 75.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 509 | G | 39.5 | Very low | 42.7 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 85% | 0.845 | 71% | 0.708 | S | S | * | * | | | trans | -176.9 | 116.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 510 | D | 36.7 | Very low | 42.6 | Very low | 151 Ų | 151 | 114 Ų | 114 | 81% | 0.807 | 71% | 0.707 | S | S | * | * | | | trans | -71.8 | 162.9 | -178.3 | -93.3 | -66.8 | 0 | 0 | 0 | 115.1 | | |
| 511 | R | 43.3 | Very low | 42.3 | Very low | 222 Ų | 222 | 112.4 Ų | 112.4 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | | | trans | 80.7 | 114.7 | 153.8 | -69.4 | 148.1 | -173.2 | -152 | 0.5 | 121.1 | | |
| 512 | S | 38.9 | Very low | 42.9 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | | | | 22.3 | 138.6 | 128.2 | 59.2 | 0 | 0 | 0 | 0 | 121 | | |
| 513 | G | 36.5 | Very low | 43.1 | Very low | 65 Ų | 65 | 114 Ų | 114 | 67% | 0.67 | 71% | 0.712 | S | S | * | * | | | cis | 151.8 | 161 | 0 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 514 | Y | 37.8 | Very low | 43.3 | Very low | 197 Ų | 197 | 114.5 Ų | 114.5 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | trans | 69.5 | 139.7 | -171.6 | 138.1 | -65.6 | 0 | 0 | 0 | 113.1 | M31 | M31-Y514 PolarHBondContact O-OH 3.27Š|
| 515 | S | 38.6 | Very low | 43.4 | Very low | 60 Ų | 60 | 110.3 Ų | 110.3 | 42% | 0.42 | 71% | 0.708 | S | S | . | * | | | cis | -138.3 | 178.2 | 23.1 | -36.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 516 | S | 48.7 | Very low | 43.4 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | | | trans | -122.9 | 173.1 | 151.8 | -49.6 | 0 | 0 | 0 | 0 | 108 | Q33 | Q33-S516 CarbonylContact C-O 2.83Å; Q33-S516 VanDerWaalsContact C-O 3.3Å; Q33-S516 PolarHBondContact N-O 3.15Å; Q33-S516 CarbonylContact O-C 3.35Å; Q33-S516 WeakPolarHBondContact O-CA 3.37Å |
| 517 | P | 47 | Very low | 43.4 | Very low | 65 Ų | 65 | 116 Ų | 116 | 42% | 0.422 | 72% | 0.717 | S | S | . | * | | | cis | -87.1 | -143 | 25.3 | 2.7 | -0.8 | 0 | 0 | 0 | 124.6 | Q33 D34 Q35 | Q33-P517 VanDerWaalsContact C-N 3.26Å; Q33-P517 VanDerWaalsContact O-N 3.15Å; D34-P517 CarbonylContact C-O 3.3Å; D34-P517 WeakPolarHBondContact CA-O 3.28Å; D34-P517 HydrophobicContact CB-CB 2.32Å; D34-P517 HydrophobicContact CB-CG 2.31Å; D34-P517 WeakPolarHBondContact CB-O 3.47Å; D34-P517 VanDerWaalsContact N-N 3.19Å; D34-P517 WeakPolarHBondContact OD1-CA 3.23Å; D34-P517 WeakPolarHBondContact OD1-CB 3.32Å; D34-P517 WeakPolarHBondContact OD1-CG 3.28Å; D34-P517 VanDerWaalsContact OD2-CB 3.29Å; D34-P517 WeakPolarHBondContact OD2-CB 3.48Å; D34-P517 WeakPolarHBondContact OD2-CD 3.46Å; D34-P517 WeakPolarHBondContact OD2-CG 3.39Å; Q35-P517 VanDerWaalsContact N-C 3.34Å; Q35-P517 PolarHBondContact N-O 3.27Å |
| 518 | G | 35.9 | Very low | 43.6 | Very low | 33 Ų | 33 | 117.9 Ų | 117.9 | 34% | 0.34 | 72% | 0.719 | S | S | . | * | | | trans | -172.5 | 120.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D34 Q35 | D34-G518 VanDerWaalsContact C-CA 3.48Å; D34-G518 VanDerWaalsContact CB-N 3.3Å; Q35-G518 VanDerWaalsContact N-CA 3.31Å |
| 519 | S | 47.4 | Very low | 43.9 | Very low | 113 Ų | 113 | 118.5 Ų | 118.5 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | -172.6 | 154.2 | 169 | -86.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 520 | P | 49.2 | Very low | 44.5 | Very low | 109 Ų | 109 | 118.7 Ų | 118.7 | 71% | 0.708 | 71% | 0.705 | S | S | * | * | | | trans | -141.2 | 178 | -133.8 | 43.1 | -25.6 | 0 | 0 | 0 | 118.9 | | |
| 521 | G | 42.4 | Very low | 44.7 | Very low | 78 Ų | 78 | 116.2 Ų | 116.2 | 80% | 0.804 | 70% | 0.699 | S | S | * | * | | | trans | 107 | 117.4 | 134.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 522 | T | 51.2 | Low | 45.1 | Very low | 139 Ų | 139 | 112 Ų | 112 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | | | trans | -123.1 | 170.7 | 158.2 | 61.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 523 | P | 47.6 | Very low | 45.5 | Very low | 131 Ų | 131 | 110.4 Ų | 110.4 | 85% | 0.851 | 68% | 0.679 | S | S | * | * | | | trans | -145.8 | 138.6 | 146.4 | 35.5 | -19.3 | 0 | 0 | 0 | 116.8 | | |
| 524 | G | 46.5 | Very low | 46 | Very low | 74 Ų | 74 | 111.6 Ų | 111.6 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | | | trans | 102 | 150.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 525 | S | 46.5 | Very low | 46.6 | Very low | 94 Ų | 94 | 108 Ų | 108 | 66% | 0.657 | 67% | 0.674 | S | S | * | * | | | cis | -163.4 | 135.3 | -3 | -138.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 526 | R | 48.4 | Very low | 47.5 | Very low | 231 Ų | 231 | 110.3 Ų | 110.3 | 87% | 0.872 | 69% | 0.688 | S | S | * | * | | | trans | 67.3 | 148.2 | 149 | -64.4 | 160 | -177 | 179.4 | 1 | 118.6 | | |
| 527 | S | 48 | Very low | 47.2 | Very low | 82 Ų | 82 | 111.9 Ų | 111.9 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | | | cis | -174.2 | 166.7 | -16.1 | 58.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 528 | R | 48.2 | Very low | 47.3 | Very low | 226 Ų | 226 | 119.9 Ų | 119.9 | 85% | 0.853 | 72% | 0.716 | S | S | * | * | | | trans | 78 | 144.1 | 161 | -60.1 | 163.2 | -153.2 | -124.1 | 3.9 | 116.9 | | |
| 529 | T | 44.5 | Very low | 47.7 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | | | cis | -170.9 | 159.3 | -36.6 | 15.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 530 | P | 51 | Low | 48.5 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 56% | 0.558 | 74% | 0.736 | S | S | * | * | | | trans | -110.6 | -177.8 | -151.3 | 42.1 | -37.2 | 0 | 0 | 0 | 116 | | |
| 531 | S | 42.2 | Very low | 48.3 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | | 152.1 | 127.4 | 117.4 | 62.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 532 | L | 50.9 | Low | 48.7 | Very low | 132 Ų | 132 | 136 Ų | 136 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | | | trans | 71.5 | 163 | 139 | -105.9 | 70.5 | 0 | 0 | 0 | 121.7 | G757 | L532-G757 WeakPolarHBondContact CA-O 3.45Å; L532-G757 VanDerWaalsContact N-CA 3.25Å; L532-G757 PolarHBondContact N-O 3.29Å |
| 533 | P | 47.7 | Very low | 48.8 | Very low | 85 Ų | 85 | 135.9 Ų | 135.9 | 55% | 0.552 | 74% | 0.742 | S | S | * | * | | | | -136.2 | -168.3 | -97.4 | 47.5 | -31.4 | 0 | 0 | 0 | 117.6 | Q756 | P533-Q756 WeakPolarHBondContact CA-O 3.43Å; P533-Q756 WeakPolarHBondContact CB-O 3.41Å |
| 534 | T | 47.2 | Very low | 48.9 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | | | trans | -47.1 | 161.2 | 174.6 | -11.6 | 0 | 0 | 0 | 0 | 118 | | |
| 535 | P | 49.7 | Very low | 49.1 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | | -147.5 | -173.8 | 108.6 | 35.5 | -15 | 0 | 0 | 0 | 115.6 | | |
| 536 | P | 57.8 | Low | 49.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | | | trans | -123.3 | -177.5 | -150.2 | 43.5 | -33.8 | 0 | 0 | 0 | 117.5 | | |
| 537 | T | 42.1 | Very low | 49.2 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | | | trans | 179.5 | 148.2 | 130.3 | 22.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 538 | R | 48.3 | Very low | 49.5 | Very low | 232 Ų | 232 | 139 Ų | 139 | 88% | 0.875 | 75% | 0.746 | S | S | * | * | | | trans | 79.3 | 141.7 | 141.4 | -75.3 | 165.6 | 179.9 | -176.8 | -0.5 | 122.6 | | |
| 539 | E | 44.9 | Very low | 49.6 | Very low | 187 Ų | 187 | 133.8 Ų | 133.8 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | | | trans | -117.4 | -165.1 | -178.2 | -39.5 | 177.3 | -167.3 | 0 | 0 | 112.4 | | |
| 540 | P | 63.7 | Low | 49.7 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 69% | 0.688 | 74% | 0.743 | S | S | * | * | | | | -130.3 | -174.4 | -119.1 | 34.6 | -10.4 | 0 | 0 | 0 | 114.8 | | |
| 541 | K | 45.2 | Very low | 49 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | | | trans | -162.6 | 127 | 154.6 | -102.4 | 133.9 | -173.7 | 172.2 | 0 | 112.6 | | |
| 542 | K | 51.6 | Low | 49 | Very low | 190 Ų | 190 | 139.2 Ų | 139.2 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | 36.2 | 140.1 | 130.5 | -49.7 | 178.4 | -172 | -68.7 | 0 | 117.5 | | |
| 543 | V | 52.4 | Low | 49.2 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | | -149.6 | 160.9 | 53.2 | 170 | 0 | 0 | 0 | 0 | 112.4 | | |
| 544 | A | 49.7 | Very low | 48.8 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | | | trans | -61 | -179.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 545 | V | 51.2 | Low | 48.6 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | | | | -164.8 | 149.6 | 50.3 | 170 | 0 | 0 | 0 | 0 | 110.2 | | |
| 546 | V | 47.5 | Very low | 48 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -178.5 | 116.9 | 131.6 | 147.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 547 | R | 50.7 | Low | 47.3 | Very low | 212 Ų | 212 | 144.1 Ų | 144.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | 42.8 | 113.9 | 146.9 | -56.8 | 177.4 | 170.3 | 91.8 | 1.4 | 121.9 | | |
| 548 | T | 53.4 | Low | 47.4 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | | | | -155.3 | 156.9 | 105.2 | 18.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 549 | P | 49.6 | Very low | 47 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | | | trans | -122.2 | -162.1 | -153.7 | 45.8 | -31 | 0 | 0 | 0 | 114.1 | | |
| 550 | P | 46.5 | Very low | 47.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | | -124.7 | -173.2 | -94.3 | 38 | -18.9 | 0 | 0 | 0 | 114.6 | | |
| 551 | K | 37 | Very low | 45.8 | Very low | 199 Ų | 199 | 147.3 Ų | 147.3 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | | | trans | -89.1 | 133.5 | -172.5 | -64 | 178.4 | 178.1 | 178.2 | 0 | 115.1 | | |
| 552 | S | 42.4 | Very low | 45.4 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | 59.4 | 134.6 | 142.9 | 62.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 553 | P | 55.2 | Low | 45.3 | Very low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | trans | -94.1 | 154.9 | 132.5 | 36.4 | -29.5 | 0 | 0 | 0 | 110.4 | | |
| 554 | S | 39.9 | Very low | 45.4 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | cis | 84.3 | 87.5 | 17.5 | -159.8 | 0 | 0 | 0 | 0 | 117 | | |
| 555 | S | 41.2 | Very low | 45.6 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -175.3 | 129.1 | 133.1 | -165.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 556 | A | 38.2 | Very low | 46.2 | Very low | 77 Ų | 77 | 141 Ų | 141 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | trans | 39.3 | 117.9 | 146.8 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 557 | K | 43.1 | Very low | 47.1 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | | 64.3 | 98.5 | 128.8 | -58.4 | 173.1 | -175 | 174.1 | 0 | 120.6 | | |
| 558 | S | 43 | Very low | 48 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | | | | -146.7 | 160.1 | 119.3 | -166.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 559 | R | 41.1 | Very low | 48.6 | Very low | 230 Ų | 230 | 136.3 Ų | 136.3 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -125.7 | 109.8 | -172.9 | 174 | -168.6 | -172.1 | 171 | 3.6 | 109.2 | | |
| 560 | L | 45.6 | Very low | 49.7 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -173.2 | 168.1 | 148 | -102.5 | 163.8 | 0 | 0 | 0 | 109.5 | | |
| 561 | Q | 37.7 | Very low | 50.8 | Low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -102.9 | 126.1 | -165.6 | -63.4 | 155.4 | -33.8 | 0 | 0 | 111.8 | | |
| 562 | T | 36.3 | Very low | 52.4 | Low | 144 Ų | 144 | 136 Ų | 136 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -142.9 | 134 | 162.1 | -48.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 563 | A | 49.8 | Very low | 54 | Low | 80 Ų | 80 | 136.6 Ų | 136.6 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 155.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113 | V565 | A563-V565 PolarHBondContact O-N 3.26Š|
| 564 | P | 53.5 | Low | 54.9 | Low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 122.8 | 165.8 | 27.9 | -33.7 | 0 | 0 | 0 | 109.4 | P566 | P564-P566 WeakPolarHBondContact O-CD 3.44Š|
| 565 | V | 54 | Low | 56.5 | Low | 135 Ų | 135 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 124.8 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 108.2 | A563 M567 | A563-V565 PolarHBondContact O-N 3.26Å; V565-M567 PolarHBondContact O-N 3.13Å |
| 566 | P | 65.1 | Low | 58.2 | Low | 112 Ų | 112 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.7 | 177.3 | -22.8 | 33.7 | 0 | 0 | 0 | 110.8 | P564 | P564-P566 WeakPolarHBondContact O-CD 3.44Š|
| 567 | M | 65.8 | Low | 59.7 | Low | 167 Ų | 167 | 144.1 Ų | 144.1 | 82% | 0.823 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 142.4 | 167.3 | -64.5 | -153.9 | -49.1 | 0 | 0 | 109.4 | V565 D569 | V565-M567 PolarHBondContact O-N 3.13Å; M567-D569 PolarHBondContact O-N 3.21Å |
| 568 | P | 68.8 | Low | 60.9 | Low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.5 | 179.1 | 25.1 | -34.2 | 0 | 0 | 0 | 110.5 | L570 | P568-L570 PolarHBondContact O-N 3.1Š|
| 569 | D | 67.3 | Low | 61.8 | Low | 92 Ų | 92 | 134.5 Ų | 134.5 | 49% | 0.492 | 73% | 0.732 | S | S | . | * | | | trans | -77.5 | 93.9 | -165 | -159.1 | 14.4 | 0 | 0 | 0 | 111.6 | M567 K571 N572 | M567-D569 PolarHBondContact O-N 3.21Å; D569-K571 PolarHBondContact O-N 3.34Å; D569-K571 WeakPolarHBondContact OD1-CE 3.36Å; D569-K571 WeakPolarHBondContact OD1-CG 3.46Å; D569-K571 IonicContact OD1-NZ 2.85Å; D569-K571 PolarHBondContact OD1-NZ 3.36Å; D569-K571 WeakPolarHBondContact OD2-CD 3.46Å; D569-K571 IonicContact OD2-NZ 2.69Å; D569-K571 PolarHBondContact OD2-NZ 2.81Å; D569-N572 PolarHBondContact O-N 3.32Å |
| 570 | L | 72.3 | Confident | 63 | Low | 134 Ų | 134 | 128.2 Ų | 128.2 | 70% | 0.702 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -58.5 | -14.1 | -170.7 | -62.7 | -180 | 0 | 0 | 0 | 114.5 | P568 N572 V573 | P568-L570 PolarHBondContact O-N 3.1Å; L570-N572 PolarHBondContact O-N 2.96Å; L570-N572 VanDerWaalsContact O-N 3.11Å; L570-V573 HydrophobicContact CD2-CG2 4.22Å; L570-V573 PolarHBondContact O-N 2.94Å |
| 571 | K | 70.2 | Confident | 64.3 | Low | 165 Ų | 165 | 127.8 Ų | 127.8 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -49.8 | -32 | 173.4 | -55 | -177.6 | -170.3 | 99.9 | 0 | 113.7 | D569 | D569-K571 PolarHBondContact O-N 3.34Å; D569-K571 WeakPolarHBondContact OD1-CE 3.36Å; D569-K571 WeakPolarHBondContact OD1-CG 3.46Å; D569-K571 IonicContact OD1-NZ 2.85Å; D569-K571 PolarHBondContact OD1-NZ 3.36Å; D569-K571 WeakPolarHBondContact OD2-CD 3.46Å; D569-K571 IonicContact OD2-NZ 2.69Å; D569-K571 PolarHBondContact OD2-NZ 2.81Å |
| 572 | N | 70.1 | Confident | 65.5 | Low | 137 Ų | 137 | 125.1 Ų | 125.1 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -109.5 | 8.8 | -168.3 | -68 | 14.3 | 0 | 0 | 0 | 114.1 | D569 L570 K574 | D569-N572 PolarHBondContact O-N 3.32Å; L570-N572 PolarHBondContact O-N 2.96Å; L570-N572 VanDerWaalsContact O-N 3.11Å; N572-K574 PolarHBondContact O-N 2.8Å |
| 573 | V | 76.1 | Confident | 67 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 69% | 0.694 | S | S | * | * | | | trans | -79.3 | 85.3 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | L570 | L570-V573 HydrophobicContact CD2-CG2 4.22Å; L570-V573 PolarHBondContact O-N 2.94Å |
| 574 | K | 73.8 | Confident | 68.2 | Low | 176 Ų | 176 | 129.6 Ų | 129.6 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | | | trans | -87.7 | 138.3 | 170.4 | -172.2 | 179.6 | 175.6 | -176.7 | 0 | 110.7 | N572 | N572-K574 PolarHBondContact O-N 2.8Š|
| 575 | S | 73.6 | Confident | 69.1 | Low | 83 Ų | 83 | 129.9 Ų | 129.9 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | | | trans | -65.8 | 146.1 | 174.4 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 576 | K | 76 | Confident | 70.1 | Confident | 218 Ų | 218 | 131.6 Ų | 131.6 | 95% | 0.948 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -86.9 | -7.9 | 175.6 | -69.8 | -173.2 | 177.7 | -178.3 | 0 | 113.9 | | |
| 577 | I | 70.1 | Confident | 70.1 | Confident | 118 Ų | 118 | 130.5 Ų | 130.5 | 61% | 0.605 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -80.6 | 132.9 | 177.9 | 61.2 | -180 | 0 | 0 | 0 | 110.2 | S579 | I577-S579 WeakPolarHBondContact CD1-OG 3.36Å; I577-S579 WeakPolarHBondContact CG1-OG 2.47Å; I577-S579 PolarHBondContact O-N 3.07Å |
| 578 | G | 67.8 | Low | 70.2 | Confident | 49 Ų | 49 | 126.8 Ų | 126.8 | 51% | 0.505 | 69% | 0.689 | S | S | . | * | | | trans | -71.4 | 22.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.3 | T580 E581 | G578-T580 PolarHBondContact O-N 2.95Å; G578-E581 VanDerWaalsContact O-CB 3.24Å; G578-E581 WeakPolarHBondContact O-CB 3.17Å; G578-E581 PolarHBondContact O-N 3.46Å |
| 579 | S | 62.1 | Low | 69.5 | Low | 85 Ų | 85 | 125 Ų | 125 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -5.4 | -170.4 | -53.5 | 0 | 0 | 0 | 0 | 115.3 | I577 | I577-S579 WeakPolarHBondContact CD1-OG 3.36Å; I577-S579 WeakPolarHBondContact CG1-OG 2.47Å; I577-S579 PolarHBondContact O-N 3.07Å |
| 580 | T | 66.2 | Low | 69 | Low | 98 Ų | 98 | 124.2 Ų | 124.2 | 60% | 0.601 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 2.4 | 173.4 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | G578 N582 L583 | G578-T580 PolarHBondContact O-N 2.95Å; T580-N582 PolarHBondContact O-N 3.46Å; T580-L583 WeakPolarHBondContact O-CB 2.69Å; T580-L583 PolarHBondContact O-N 2.91Å |
| 581 | E | 72.8 | Confident | 68.4 | Low | 159 Ų | 159 | 127.9 Ų | 127.9 | 74% | 0.743 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -64.7 | -40.3 | 179.1 | -169.6 | 168.3 | 173 | 0 | 0 | 111.8 | G578 L583 | G578-E581 VanDerWaalsContact O-CB 3.24Å; G578-E581 WeakPolarHBondContact O-CB 3.17Å; G578-E581 PolarHBondContact O-N 3.46Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 2.9Å |
| 582 | N | 64.3 | Low | 68 | Low | 128 Ų | 128 | 126.1 Ų | 126.1 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -80.7 | 1.6 | 178.1 | -73.4 | -58.4 | 0 | 0 | 0 | 114.9 | T580 K584 H585 | T580-N582 PolarHBondContact O-N 3.46Å; N582-K584 PolarHBondContact O-N 2.86Å; N582-H585 WeakPolarHBondContact O-CB 2.62Å; N582-H585 PolarHBondContact O-N 3.38Å |
| 583 | L | 67.6 | Low | 67.8 | Low | 126 Ų | 126 | 127.6 Ų | 127.6 | 66% | 0.66 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -67.2 | -0.4 | 175.9 | -108.3 | 78.3 | 0 | 0 | 0 | 114.1 | T580 E581 | T580-L583 WeakPolarHBondContact O-CB 2.69Å; T580-L583 PolarHBondContact O-N 2.91Å; E581-L583 VanDerWaalsContact C-N 3.31Å; E581-L583 PolarHBondContact O-N 2.9Å |
| 584 | K | 75.8 | Confident | 67.4 | Low | 192 Ų | 192 | 129.6 Ų | 129.6 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -118.2 | 11.1 | 172.9 | -57.1 | -61.6 | 168.2 | -162.8 | 0 | 113.4 | N582 Q586 | N582-K584 PolarHBondContact O-N 2.86Å; K584-Q586 PolarHBondContact O-N 3.36Å |
| 585 | H | 72.3 | Confident | 67.2 | Low | 128 Ų | 128 | 127 Ų | 127 | 59% | 0.593 | 72% | 0.718 | S | S | * | * | | | trans | -71.3 | 96.8 | 168.4 | -174.7 | 88.7 | 0 | 0 | 0 | 109.8 | N582 P587 | N582-H585 WeakPolarHBondContact O-CB 2.62Å; N582-H585 PolarHBondContact O-N 3.38Å; H585-P587 VanDerWaalsContact O-CD 3.31Å; H585-P587 WeakPolarHBondContact O-CD 3.29Å |
| 586 | Q | 73.2 | Confident | 66.8 | Low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | -72.5 | 113.9 | 165.2 | -164.9 | 73.2 | 38.9 | 0 | 0 | 107.6 | K584 G588 | K584-Q586 PolarHBondContact O-N 3.36Å; Q586-G588 PolarHBondContact O-N 2.81Å |
| 587 | P | 66.2 | Low | 66.5 | Low | 90 Ų | 90 | 127.9 Ų | 127.9 | 58% | 0.584 | 72% | 0.719 | S | S | * | * | | | trans | -63.6 | 125.1 | -176.8 | 25.2 | -33.5 | 0 | 0 | 0 | 110.3 | H585 G589 | H585-P587 VanDerWaalsContact O-CD 3.31Å; H585-P587 WeakPolarHBondContact O-CD 3.29Å; P587-G589 PolarHBondContact O-N 3.33Å |
| 588 | G | 68.5 | Low | 66.2 | Low | 88 Ų | 88 | 131.4 Ų | 131.4 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | | | trans | -72.4 | 30.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q586 | Q586-G588 PolarHBondContact O-N 2.81Š|
| 589 | G | 52.6 | Low | 66.1 | Low | 72 Ų | 72 | 135.5 Ų | 135.5 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | | | trans | -97.4 | 135.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | P587 | P587-G589 PolarHBondContact O-N 3.33Š|
| 590 | G | 56.9 | Low | 66 | Low | 76 Ų | 76 | 137.9 Ų | 137.9 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 138.5 | 5.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 591 | K | 59.2 | Low | 65.7 | Low | 210 Ų | 210 | 138.6 Ų | 138.6 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -126.3 | 21 | 177.3 | -62.8 | -172.1 | -179.9 | -178.3 | 0 | 114.2 | | |
| 592 | V | 62.4 | Low | 65.3 | Low | 129 Ų | 129 | 135.2 Ų | 135.2 | 78% | 0.782 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -122.1 | 117.2 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.1 | I594 | V592-I594 PolarHBondContact O-N 2.91Š|
| 593 | Q | 65.6 | Low | 65.2 | Low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -80.3 | 106.6 | -178.3 | -168.1 | 172 | 12.3 | 0 | 0 | 109.4 | I595 | Q593-I595 VanDerWaalsContact C-N 3.32Å; Q593-I595 HydrophobicContact CG-CG1 4.15Å; Q593-I595 PolarHBondContact O-N 3.28Å |
| 594 | I | 67.8 | Low | 65.2 | Low | 159 Ų | 159 | 135.2 Ų | 135.2 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | | | trans | -75.7 | 86.5 | 178.1 | -55.3 | 177.8 | 0 | 0 | 0 | 108.6 | V592 N596 | V592-I594 PolarHBondContact O-N 2.91Å; I594-N596 PolarHBondContact O-N 2.91Å |
| 595 | I | 70.3 | Confident | 64.7 | Low | 123 Ų | 123 | 134.8 Ų | 134.8 | 63% | 0.631 | 74% | 0.744 | S | S | * | * | | | trans | -75.1 | 96.1 | 175.9 | -52.6 | 179.2 | 0 | 0 | 0 | 108.3 | Q593 K597 | Q593-I595 VanDerWaalsContact C-N 3.32Å; Q593-I595 HydrophobicContact CG-CG1 4.15Å; Q593-I595 PolarHBondContact O-N 3.28Å; I595-K597 HydrophobicContact CG2-CB 4.14Å; I595-K597 PolarHBondContact O-N 2.61Å |
| 596 | N | 65.5 | Low | 64.5 | Low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | -71.5 | 69.2 | 173.2 | -172.4 | 8.6 | 0 | 0 | 0 | 111.2 | I594 K598 | I594-N596 PolarHBondContact O-N 2.91Å; N596-K598 PolarHBondContact O-N 3.2Å; N596-K598 VanDerWaalsContact O-N 3.13Å |
| 597 | K | 69.9 | Low | 64.1 | Low | 169 Ų | 169 | 132.7 Ų | 132.7 | 74% | 0.735 | 74% | 0.743 | S | S | * | * | | | trans | -84 | 85.5 | 178.5 | -160.9 | 169.1 | -172.2 | 175 | 0 | 109.2 | I595 L599 | I595-K597 HydrophobicContact CG2-CB 4.14Å; I595-K597 PolarHBondContact O-N 2.61Å; K597-L599 PolarHBondContact O-N 3.3Å |
| 598 | K | 63.4 | Low | 64 | Low | 191 Ų | 191 | 132.7 Ų | 132.7 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | | | trans | -43.7 | 113.1 | 171.2 | -175 | 179.8 | -177.8 | -178.5 | 0 | 108.7 | N596 D600 | N596-K598 PolarHBondContact O-N 3.2Å; N596-K598 VanDerWaalsContact O-N 3.13Å; K598-D600 PolarHBondContact O-N 3.36Å |
| 599 | L | 65.1 | Low | 63.5 | Low | 135 Ų | 135 | 131.6 Ų | 131.6 | 71% | 0.707 | 73% | 0.733 | S | S | * | * | | | trans | -67.5 | 132.4 | -178 | -67.6 | -179.9 | 0 | 0 | 0 | 109.1 | K597 L601 | K597-L599 PolarHBondContact O-N 3.3Å; L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 HydrophobicContact CB-CD2 4.02Å; L599-L601 HydrophobicContact CB-CG 4.35Å; L599-L601 PolarHBondContact O-N 3.41Å |
| 600 | D | 60.3 | Low | 63.9 | Low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | | | trans | -78.1 | 88 | 175.3 | -167.8 | -22.4 | 0 | 0 | 0 | 108.9 | K598 S602 | K598-D600 PolarHBondContact O-N 3.36Å; D600-S602 PolarHBondContact O-N 3.23Å; D600-S602 WeakPolarHBondContact OD1-CB 2.49Å; D600-S602 PolarHBondContact OD1-N 3.26Å; D600-S602 PolarHBondContact OD1-OG 3.32Å |
| 601 | L | 60.6 | Low | 64 | Low | 114 Ų | 114 | 138 Ų | 138 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -78.2 | 12.3 | -176.7 | -60.1 | 177.8 | 0 | 0 | 0 | 113.2 | L599 N603 V604 | L599-L601 VanDerWaalsContact C-N 3.34Å; L599-L601 HydrophobicContact CB-CD2 4.02Å; L599-L601 HydrophobicContact CB-CG 4.35Å; L599-L601 PolarHBondContact O-N 3.41Å; L601-N603 PolarHBondContact O-N 3.34Å; L601-V604 HydrophobicContact CB-CB 4.37Å; L601-V604 HydrophobicContact CB-CG2 4.29Å; L601-V604 HydrophobicContact CD2-CG2 3.92Å; L601-V604 PolarHBondContact O-N 3.01Å |
| 602 | S | 64.3 | Low | 64 | Low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -52.3 | -18.6 | -179.9 | 49.6 | 0 | 0 | 0 | 0 | 115.5 | D600 | D600-S602 PolarHBondContact O-N 3.23Å; D600-S602 WeakPolarHBondContact OD1-CB 2.49Å; D600-S602 PolarHBondContact OD1-N 3.26Å; D600-S602 PolarHBondContact OD1-OG 3.32Å |
| 603 | N | 61.7 | Low | 63.6 | Low | 150 Ų | 150 | 134.8 Ų | 134.8 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -111.7 | 12.8 | 179.8 | -69.7 | -96 | 0 | 0 | 0 | 113.6 | L601 | L601-N603 PolarHBondContact O-N 3.34Š|
| 604 | V | 67.9 | Low | 63.3 | Low | 103 Ų | 103 | 133.8 Ų | 133.8 | 62% | 0.624 | 72% | 0.718 | S | S | * | * | | | trans | -105 | 91.7 | -177.4 | -176 | 0 | 0 | 0 | 0 | 110.8 | L601 | L601-V604 HydrophobicContact CB-CB 4.37Å; L601-V604 HydrophobicContact CB-CG2 4.29Å; L601-V604 HydrophobicContact CD2-CG2 3.92Å; L601-V604 PolarHBondContact O-N 3.01Å |
| 605 | Q | 64.9 | Low | 63.2 | Low | 183 Ų | 183 | 136.2 Ų | 136.2 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | | | trans | -75.8 | 133.5 | 168.4 | -72.1 | -177.7 | -33.7 | 0 | 0 | 110.9 | | |
| 606 | S | 67.5 | Low | 62.4 | Low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | -70.5 | 133.1 | 172.2 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | C608 | S606-C608 VanDerWaalsContact C-N 3.28Š|
| 607 | K | 65 | Low | 62 | Low | 150 Ų | 150 | 137.7 Ų | 137.7 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | | | trans | -90.2 | 15.5 | 174.1 | -69.1 | -165.9 | 175.2 | -173.4 | 0 | 113.8 | G609 V630 | K607-G609 PolarHBondContact O-N 3.43Å; K607-V630 VanDerWaalsContact NZ-CG1 3.32Å |
| 608 | C | 64.3 | Low | 61.3 | Low | 91 Ų | 91 | 133.8 Ų | 133.8 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | | | trans | -86.7 | 103.5 | 171.8 | -168.6 | 0 | 0 | 0 | 0 | 108.5 | S606 S610 | S606-C608 VanDerWaalsContact C-N 3.28Å; C608-S610 PolarHBondContact O-N 2.78Å |
| 609 | G | 58.9 | Low | 60.6 | Low | 64 Ų | 64 | 128.9 Ų | 128.9 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | trans | -73.9 | 53.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K607 K611 | K607-G609 PolarHBondContact O-N 3.43Å; G609-K611 VanDerWaalsContact C-N 3.34Å; G609-K611 PolarHBondContact O-N 2.98Å |
| 610 | S | 60.1 | Low | 59.7 | Low | 98 Ų | 98 | 126 Ų | 126 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87 | 10.1 | -167.4 | 56.7 | 0 | 0 | 0 | 0 | 115.4 | C608 | C608-S610 PolarHBondContact O-N 2.78Š|
| 611 | K | 59.7 | Low | 59.4 | Low | 186 Ų | 186 | 122.9 Ų | 122.9 | 81% | 0.809 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 16 | -175 | -73 | -163.6 | 172.2 | -173.5 | 0 | 116 | G609 N613 | G609-K611 VanDerWaalsContact C-N 3.34Å; G609-K611 PolarHBondContact O-N 2.98Å; K611-N613 PolarHBondContact O-N 2.9Å |
| 612 | D | 58.7 | Low | 58.8 | Low | 151 Ų | 151 | 123.1 Ų | 123.1 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | | | trans | -77.2 | 49 | 176.6 | -64.6 | -7.9 | 0 | 0 | 0 | 111.9 | I614 | D612-I614 PolarHBondContact O-N 2.69Š|
| 613 | N | 54 | Low | 58.5 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -76.7 | 90.6 | -164.3 | -162.7 | -62.5 | 0 | 0 | 0 | 112.4 | K611 K615 | K611-N613 PolarHBondContact O-N 2.9Å; N613-K615 PolarHBondContact O-N 3.13Å; N613-K615 VanDerWaalsContact O-N 3.1Å |
| 614 | I | 58.7 | Low | 58.5 | Low | 147 Ų | 147 | 126.8 Ų | 126.8 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 55.2 | 47.6 | 130.9 | -46.7 | 158.4 | 0 | 0 | 0 | 114.2 | D612 | D612-I614 PolarHBondContact O-N 2.69Š|
| 615 | K | 66.2 | Low | 58.4 | Low | 210 Ų | 210 | 129.1 Ų | 129.1 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | trans | -112.9 | 19.3 | 166.6 | -67.4 | -176.2 | -178.2 | -178.4 | 0 | 113.3 | N613 | N613-K615 PolarHBondContact O-N 3.13Å; N613-K615 VanDerWaalsContact O-N 3.1Å |
| 616 | H | 53.9 | Low | 58.8 | Low | 157 Ų | 157 | 124.9 Ų | 124.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -117.4 | 111 | -166.9 | -177.8 | -115.3 | 0 | 0 | 0 | 112.4 | P618 | H616-P618 VanDerWaalsContact CE1-CG 3.47Å; H616-P618 WeakPolarHBondContact CE1-CG 3.05Å |
| 617 | V | 56.6 | Low | 58.8 | Low | 146 Ų | 146 | 129.5 Ų | 129.5 | 89% | 0.885 | 75% | 0.75 | S | S | * | * | | | trans | -135.7 | 92.5 | 170 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 618 | P | 55.7 | Low | 59.3 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 57% | 0.565 | 75% | 0.754 | S | S | * | * | | | trans | -91.9 | 130 | 170.6 | 35.4 | -32.9 | 0 | 0 | 0 | 110.8 | H616 G620 | H616-P618 VanDerWaalsContact CE1-CG 3.47Å; H616-P618 WeakPolarHBondContact CE1-CG 3.05Å; P618-G620 PolarHBondContact O-N 2.92Å |
| 619 | G | 49.1 | Very low | 59.9 | Low | 89 Ų | 89 | 130.2 Ų | 130.2 | 92% | 0.918 | 75% | 0.751 | S | S | * | * | | | trans | -78.2 | 101.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 620 | G | 46.5 | Very low | 60.6 | Low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | 95.1 | 153.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | P618 | P618-G620 PolarHBondContact O-N 2.92Š|
| 621 | G | 53.8 | Low | 60.9 | Low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 84.8 | 107 | 155.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 622 | S | 47.8 | Very low | 61.4 | Low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 74% | 0.74 | S | S | * | * | | | trans | 56.3 | 120.1 | 160.3 | 54.3 | 0 | 0 | 0 | 0 | 118.6 | Q624 | S622-Q624 PolarHBondContact O-N 3.01Š|
| 623 | V | 58 | Low | 61.8 | Low | 141 Ų | 141 | 127.8 Ų | 127.8 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | | | trans | -59.7 | 120.4 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 111.1 | I625 | V623-I625 HydrophobicContact CG1-CG1 4.15Š|
| 624 | Q | 61.3 | Low | 62.2 | Low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | | | trans | -107.3 | 99.4 | 176.8 | -173.5 | 169.6 | 92.3 | 0 | 0 | 110.6 | S622 V626 | S622-Q624 PolarHBondContact O-N 3.01Å; Q624-V626 HydrophobicContact CG-CG2 4.25Å; Q624-V626 PolarHBondContact O-N 2.65Å |
| 625 | I | 65.3 | Low | 62.6 | Low | 152 Ų | 152 | 129.8 Ų | 129.8 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | trans | -77.9 | 103.1 | 176.5 | -57.3 | 178.9 | 0 | 0 | 0 | 109 | V623 Y627 | V623-I625 HydrophobicContact CG1-CG1 4.15Å; I625-Y627 PolarHBondContact O-N 3.13Å |
| 626 | V | 73.9 | Confident | 62.4 | Low | 95 Ų | 95 | 125 Ų | 125 | 58% | 0.576 | 73% | 0.73 | S | S | * | * | | | trans | -83.6 | 90.9 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | Q624 K628 | Q624-V626 HydrophobicContact CG-CG2 4.25Å; Q624-V626 PolarHBondContact O-N 2.65Å; V626-K628 HydrophobicContact CG1-CD 4.2Å; V626-K628 HydrophobicContact CG1-CG 3.97Å; V626-K628 PolarHBondContact O-N 2.81Å; V626-K628 VanDerWaalsContact O-N 3.13Å |
| 627 | Y | 68 | Low | 62.9 | Low | 201 Ų | 201 | 122.8 Ų | 122.8 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | | | trans | -73.3 | 99.1 | 168.4 | -176.1 | -98.5 | 0 | 0 | 0 | 110.3 | I625 P629 | I625-Y627 PolarHBondContact O-N 3.13Å; Y627-P629 HydrophobicContact CE1-CB 3.99Å; Y627-P629 HydrophobicContact CE1-CG 4Å |
| 628 | K | 74.9 | Confident | 63.2 | Low | 171 Ų | 171 | 125.1 Ų | 125.1 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | -106.9 | 104.2 | 164.8 | -80.5 | 178.9 | 178.5 | -179.1 | 0 | 108.7 | V626 | V626-K628 HydrophobicContact CG1-CD 4.2Å; V626-K628 HydrophobicContact CG1-CG 3.97Å; V626-K628 PolarHBondContact O-N 2.81Å; V626-K628 VanDerWaalsContact O-N 3.13Å |
| 629 | P | 77.8 | Confident | 63.4 | Low | 85 Ų | 85 | 126 Ų | 126 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | | | trans | -64.3 | 138.5 | 172.6 | 28.5 | -32.7 | 0 | 0 | 0 | 109 | Y627 | Y627-P629 HydrophobicContact CE1-CB 3.99Å; Y627-P629 HydrophobicContact CE1-CG 4Å |
| 630 | V | 72.7 | Confident | 63.7 | Low | 97 Ų | 97 | 125 Ų | 125 | 59% | 0.588 | 73% | 0.727 | S | S | * | * | | | trans | -89.8 | 118.6 | 173.8 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | K607 L632 | K607-V630 VanDerWaalsContact NZ-CG1 3.32Å; V630-L632 PolarHBondContact O-N 3.31Å |
| 631 | D | 66.5 | Low | 64 | Low | 141 Ų | 141 | 126.2 Ų | 126.2 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | -59 | 104.8 | 178.7 | -77.5 | -48.7 | 0 | 0 | 0 | 111.8 | S633 | D631-S633 VanDerWaalsContact C-N 3.27Š|
| 632 | L | 70.3 | Confident | 64.2 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | | | trans | -91.3 | 14.5 | 170.5 | -67.2 | 176.5 | 0 | 0 | 0 | 112.1 | V630 K634 V635 | V630-L632 PolarHBondContact O-N 3.31Å; L632-K634 PolarHBondContact O-N 2.79Å; L632-V635 HydrophobicContact CB-CG2 4.26Å; L632-V635 HydrophobicContact CD2-CG2 4.14Å; L632-V635 WeakPolarHBondContact O-CB 3.31Å; L632-V635 PolarHBondContact O-N 3.06Å |
| 633 | S | 67 | Low | 64.6 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -0.2 | -170.4 | 54.5 | 0 | 0 | 0 | 0 | 116.2 | D631 | D631-S633 VanDerWaalsContact C-N 3.27Š|
| 634 | K | 62.6 | Low | 64.7 | Low | 194 Ų | 194 | 128 Ų | 128 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -0.8 | 171.8 | -65.8 | -176.3 | 179.3 | 178.1 | 0 | 114.2 | L632 T636 | L632-K634 PolarHBondContact O-N 2.79Å; K634-T636 PolarHBondContact O-N 3.38Å |
| 635 | V | 66.8 | Low | 64.8 | Low | 114 Ų | 114 | 126.2 Ų | 126.2 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | | | trans | -78 | 107 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 109 | L632 | L632-V635 HydrophobicContact CB-CG2 4.26Å; L632-V635 HydrophobicContact CD2-CG2 4.14Å; L632-V635 WeakPolarHBondContact O-CB 3.31Å; L632-V635 PolarHBondContact O-N 3.06Å |
| 636 | T | 62.6 | Low | 65.1 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | trans | -107.3 | 126.2 | 176.7 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | K634 K638 | K634-T636 PolarHBondContact O-N 3.38Å; T636-K638 PolarHBondContact O-N 2.85Å |
| 637 | S | 64.8 | Low | 65 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | | | trans | -70.2 | 117.1 | 173.7 | 44.7 | 0 | 0 | 0 | 0 | 110.2 | C639 | S637-C639 PolarHBondContact O-N 2.81Š|
| 638 | K | 61.8 | Low | 65.2 | Low | 195 Ų | 195 | 129.9 Ų | 129.9 | 85% | 0.848 | 72% | 0.72 | S | S | * | * | | | trans | -79 | 4.1 | 174.6 | -67.3 | -72.3 | -175.3 | 175.7 | 0 | 113.7 | T636 G640 | T636-K638 PolarHBondContact O-N 2.85Å; K638-G640 PolarHBondContact O-N 2.96Å |
| 639 | C | 59.8 | Low | 65.1 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 70% | 0.703 | 72% | 0.715 | S | S | * | * | | | trans | -81.1 | 103.4 | 178.6 | -168.7 | 0 | 0 | 0 | 0 | 110.4 | S637 S641 | S637-C639 PolarHBondContact O-N 2.81Å; C639-S641 PolarHBondContact O-N 2.84Å |
| 640 | G | 55.1 | Low | 64.7 | Low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | -89.9 | 58.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K638 L642 | K638-G640 PolarHBondContact O-N 2.96Å; G640-L642 VanDerWaalsContact C-N 3.28Å; G640-L642 PolarHBondContact O-N 2.94Å |
| 641 | S | 53.9 | Low | 64.8 | Low | 102 Ų | 102 | 125.2 Ų | 125.2 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -87.4 | 64.4 | 167.2 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | C639 G643 | C639-S641 PolarHBondContact O-N 2.84Å; S641-G643 PolarHBondContact O-N 3.3Å |
| 642 | L | 57.2 | Low | 65 | Low | 154 Ų | 154 | 122.1 Ų | 122.1 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | trans | -65.9 | 123.5 | -177 | -64.1 | 175.8 | 0 | 0 | 0 | 111.6 | G640 I645 | G640-L642 VanDerWaalsContact C-N 3.28Å; G640-L642 PolarHBondContact O-N 2.94Å; L642-I645 HydrophobicContact CD2-CD1 4.36Å |
| 643 | G | 56.7 | Low | 65.3 | Low | 52 Ų | 52 | 123.2 Ų | 123.2 | 54% | 0.536 | 74% | 0.742 | S | S | . | * | S | Bend | trans | -180 | -77 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | S641 | S641-G643 PolarHBondContact O-N 3.3Š|
| 644 | N | 58.9 | Low | 65.5 | Low | 159 Ų | 159 | 123.9 Ų | 123.9 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | | | trans | -109.1 | 34.8 | -157.8 | -63.3 | 3.2 | 0 | 0 | 0 | 114.9 | H646 | N644-H646 PolarHBondContact O-N 3.38Š|
| 645 | I | 63.7 | Low | 66.2 | Low | 136 Ų | 136 | 120 Ų | 120 | 70% | 0.697 | 73% | 0.727 | S | S | * | * | | | trans | -80.2 | 27.9 | -168 | -27.7 | -178.5 | 0 | 0 | 0 | 114.3 | L642 H647 | L642-I645 HydrophobicContact CD2-CD1 4.36Å; I645-H647 VanDerWaalsContact C-N 3.35Å; I645-H647 PolarHBondContact O-N 2.82Å |
| 646 | H | 73 | Confident | 66.7 | Low | 179 Ų | 179 | 120.8 Ų | 120.8 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | | | trans | -92.1 | 18.8 | -177.7 | -76.7 | 107.1 | 0 | 0 | 0 | 114.4 | N644 K648 | N644-H646 PolarHBondContact O-N 3.38Å; H646-K648 PolarHBondContact O-N 3.29Å |
| 647 | H | 71.6 | Confident | 67.3 | Low | 152 Ų | 152 | 123.8 Ų | 123.8 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | | | trans | -74.7 | 116.9 | 178.7 | -175.4 | -123.4 | 0 | 0 | 0 | 112 | I645 P649 | I645-H647 VanDerWaalsContact C-N 3.35Å; I645-H647 PolarHBondContact O-N 2.82Å; H647-P649 VanDerWaalsContact O-CD 3.28Å; H647-P649 WeakPolarHBondContact O-CD 3.43Å |
| 648 | K | 71.9 | Confident | 67.7 | Low | 195 Ų | 195 | 123.8 Ų | 123.8 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | | | trans | -100.9 | 94.6 | 167.7 | -69.3 | -73.3 | -172.5 | 176 | 0 | 108.8 | H646 G650 | H646-K648 PolarHBondContact O-N 3.29Å; K648-G650 PolarHBondContact O-N 3.32Å |
| 649 | P | 72.3 | Confident | 68.6 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 73% | 0.732 | S | S | * | * | | | trans | -65.8 | 117.9 | 173.5 | 26.1 | -32.2 | 0 | 0 | 0 | 109.7 | H647 G651 | H647-P649 VanDerWaalsContact O-CD 3.28Å; H647-P649 WeakPolarHBondContact O-CD 3.43Å; P649-G651 PolarHBondContact O-N 3.35Å |
| 650 | G | 70.2 | Confident | 69.2 | Low | 83 Ų | 83 | 126.9 Ų | 126.9 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | | | trans | -73 | 108.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K648 | K648-G650 PolarHBondContact O-N 3.32Š|
| 651 | G | 74.7 | Confident | 70 | Confident | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | -82.8 | 140.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | P649 | P649-G651 PolarHBondContact O-N 3.35Š|
| 652 | G | 71.3 | Confident | 70.8 | Confident | 77 Ų | 77 | 129.5 Ų | 129.5 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | -73 | 133.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 653 | Q | 74.8 | Confident | 71.4 | Confident | 131 Ų | 131 | 129.1 Ų | 129.1 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | | | trans | -91.9 | 112.8 | 175.9 | -178 | 173.5 | -8.3 | 0 | 0 | 109.9 | E655 | Q653-E655 HydrophobicContact CG-CG 4.49Å; Q653-E655 PolarHBondContact NE2-OE1 3.32Å |
| 654 | V | 71.6 | Confident | 72 | Confident | 115 Ų | 115 | 134.4 Ų | 134.4 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | | | trans | -120.7 | 107.6 | 176.2 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 655 | E | 78.2 | Confident | 72.5 | Confident | 114 Ų | 114 | 134.4 Ų | 134.4 | 53% | 0.533 | 73% | 0.729 | S | S | . | * | | | trans | -97 | 107.8 | 177.9 | -71.3 | 178.2 | -169.4 | 0 | 0 | 111.1 | Q653 K657 | Q653-E655 HydrophobicContact CG-CG 4.49Å; Q653-E655 PolarHBondContact NE2-OE1 3.32Å; E655-K657 PolarHBondContact O-N 3.22Å; E655-K657 VanDerWaalsContact OE2-CE 3.31Å; E655-K657 WeakPolarHBondContact OE2-CE 3.4Å; E655-K657 IonicContact OE2-NZ 3.87Å; E655-K657 PolarHBondContact OE2-NZ 2.85Å |
| 656 | V | 75.6 | Confident | 72.8 | Confident | 130 Ų | 130 | 139.2 Ų | 139.2 | 79% | 0.788 | 74% | 0.738 | S | S | * | * | | | trans | -87.7 | 107.5 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 657 | K | 76.8 | Confident | 72.7 | Confident | 170 Ų | 170 | 136.1 Ų | 136.1 | 74% | 0.739 | 73% | 0.732 | S | S | * | * | | | trans | -88.1 | 108.2 | 179.5 | -71.7 | 165.8 | -177.5 | 159 | 0 | 109.8 | E655 E659 | E655-K657 PolarHBondContact O-N 3.22Å; E655-K657 VanDerWaalsContact OE2-CE 3.31Å; E655-K657 WeakPolarHBondContact OE2-CE 3.4Å; E655-K657 IonicContact OE2-NZ 3.87Å; E655-K657 PolarHBondContact OE2-NZ 2.85Å; K657-E659 PolarHBondContact O-N 2.77Å |
| 658 | S | 73.5 | Confident | 72.3 | Confident | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | trans | -83.4 | 93.4 | 179.3 | 40.6 | 0 | 0 | 0 | 0 | 112 | | |
| 659 | E | 79.7 | Confident | 72.2 | Confident | 167 Ų | 167 | 133.2 Ų | 133.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | | | trans | -66.9 | 140.4 | 169.1 | -171.8 | 169.8 | 176.1 | 0 | 0 | 111.2 | K657 L661 | K657-E659 PolarHBondContact O-N 2.77Å; E659-L661 PolarHBondContact O-N 2.97Å; E659-L661 VanDerWaalsContact O-N 3.08Å |
| 660 | K | 73.4 | Confident | 72 | Confident | 196 Ų | 196 | 138.7 Ų | 138.7 | 85% | 0.852 | 75% | 0.747 | S | S | * | * | | | trans | -83.1 | 84.3 | -175.6 | -71.2 | -173 | 177.3 | -177.6 | 0 | 111.8 | | |
| 661 | L | 71.9 | Confident | 71.8 | Confident | 108 Ų | 108 | 141.1 Ų | 141.1 | 57% | 0.565 | 74% | 0.739 | S | S | * | * | | | trans | -85.8 | 111.5 | 169.8 | -64.8 | 175.3 | 0 | 0 | 0 | 110.9 | E659 F663 | E659-L661 PolarHBondContact O-N 2.97Å; E659-L661 VanDerWaalsContact O-N 3.08Å; L661-F663 HydrophobicContact CB-CD2 4.1Å; L661-F663 HydrophobicContact CB-CE1 4.38Å; L661-F663 HydrophobicContact CB-CE2 3.45Å; L661-F663 VanDerWaalsContact CB-CE2 3.45Å; L661-F663 HydrophobicContact CB-CZ 3.62Å; L661-F663 HydrophobicContact CD1-CE2 4.23Å; L661-F663 HydrophobicContact CD1-CZ 3.76Å; L661-F663 HydrophobicContact CG-CE2 4.5Å; L661-F663 HydrophobicContact CG-CZ 4.33Å; L661-F663 VanDerWaalsContact O-CD2 3.28Å; L661-F663 WeakPolarHBondContact O-CD2 3.04Å; L661-F663 PolarHBondContact O-N 3.27Å |
| 662 | D | 69.2 | Low | 71.3 | Confident | 118 Ų | 118 | 141.1 Ų | 141.1 | 63% | 0.631 | 74% | 0.739 | S | S | * | * | | | trans | -85.2 | 82.9 | -178.4 | -92.6 | -46.6 | 0 | 0 | 0 | 112.4 | K664 | D662-K664 HydrophobicContact CB-CD 4.43Å; D662-K664 PolarHBondContact O-N 2.9Å; D662-K664 WeakPolarHBondContact OD1-CE 3.44Å; D662-K664 IonicContact OD1-NZ 3.29Å; D662-K664 PolarHBondContact OD1-NZ 2.99Å; D662-K664 IonicContact OD2-NZ 3.72Å |
| 663 | F | 69.8 | Low | 70.8 | Confident | 146 Ų | 146 | 141.4 Ų | 141.4 | 64% | 0.64 | 73% | 0.729 | S | S | * | * | | | trans | -73.4 | 25.4 | -177.1 | -65.1 | -72.1 | 0 | 0 | 0 | 116.2 | L661 D665 V667 | L661-F663 HydrophobicContact CB-CD2 4.1Å; L661-F663 HydrophobicContact CB-CE1 4.38Å; L661-F663 HydrophobicContact CB-CE2 3.45Å; L661-F663 VanDerWaalsContact CB-CE2 3.45Å; L661-F663 HydrophobicContact CB-CZ 3.62Å; L661-F663 HydrophobicContact CD1-CE2 4.23Å; L661-F663 HydrophobicContact CD1-CZ 3.76Å; L661-F663 HydrophobicContact CG-CE2 4.5Å; L661-F663 HydrophobicContact CG-CZ 4.33Å; L661-F663 VanDerWaalsContact O-CD2 3.28Å; L661-F663 WeakPolarHBondContact O-CD2 3.04Å; L661-F663 PolarHBondContact O-N 3.27Å; F663-D665 PolarHBondContact O-N 3.15Å; F663-V667 HydrophobicContact CB-CG2 3.93Å; F663-V667 HydrophobicContact CD1-CG2 4.48Å |
| 664 | K | 69.1 | Low | 70.3 | Confident | 163 Ų | 163 | 141.4 Ų | 141.4 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -25 | -158.6 | -77.9 | 160.9 | 176.2 | 156.1 | 0 | 116.9 | D662 | D662-K664 HydrophobicContact CB-CD 4.43Å; D662-K664 PolarHBondContact O-N 2.9Å; D662-K664 WeakPolarHBondContact OD1-CE 3.44Å; D662-K664 IonicContact OD1-NZ 3.29Å; D662-K664 PolarHBondContact OD1-NZ 2.99Å; D662-K664 IonicContact OD2-NZ 3.72Å |
| 665 | D | 70.1 | Confident | 69.9 | Low | 158 Ų | 158 | 142.5 Ų | 142.5 | 85% | 0.845 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -9.2 | -169.2 | -82.5 | -57.2 | 0 | 0 | 0 | 116.6 | F663 | F663-D665 PolarHBondContact O-N 3.15Š|
| 666 | R | 69.6 | Low | 68.8 | Low | 238 Ų | 238 | 144.4 Ų | 144.4 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.2 | -1.5 | -167.4 | -68.1 | -166.7 | 175 | -147.5 | -3.5 | 118 | Q668 | R666-Q668 PolarHBondContact O-N 3.27Š|
| 667 | V | 70.9 | Confident | 68.2 | Low | 113 Ų | 113 | 144.6 Ų | 144.6 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | trans | -91.9 | 91.7 | -179.6 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | F663 | F663-V667 HydrophobicContact CB-CG2 3.93Å; F663-V667 HydrophobicContact CD1-CG2 4.48Å |
| 668 | Q | 64.2 | Low | 67.5 | Low | 176 Ų | 176 | 142.7 Ų | 142.7 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | | | trans | -122.1 | 126.5 | 168.3 | -72.1 | -174.4 | -11.9 | 0 | 0 | 110.5 | R666 K670 | R666-Q668 PolarHBondContact O-N 3.27Å; Q668-K670 PolarHBondContact O-N 2.86Å |
| 669 | S | 68.4 | Low | 67 | Low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | -78.1 | 115.5 | 176.5 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | I671 | S669-I671 PolarHBondContact O-N 3.08Å; S669-I671 VanDerWaalsContact O-N 3.08Å |
| 670 | K | 69.8 | Low | 66.4 | Low | 211 Ų | 211 | 142.4 Ų | 142.4 | 92% | 0.917 | 74% | 0.741 | S | S | * | * | | | trans | -80.7 | 27.9 | -178.4 | -60.7 | -174.6 | 177.5 | -177.6 | 0 | 114.6 | Q668 | Q668-K670 PolarHBondContact O-N 2.86Š|
| 671 | I | 65.1 | Low | 66.1 | Low | 134 Ų | 134 | 137.8 Ų | 137.8 | 69% | 0.687 | 73% | 0.731 | S | S | * | * | | | trans | -113.9 | 99.9 | -174.1 | -56 | 176.8 | 0 | 0 | 0 | 108.8 | S669 | S669-I671 PolarHBondContact O-N 3.08Å; S669-I671 VanDerWaalsContact O-N 3.08Å |
| 672 | G | 64.4 | Low | 65.6 | Low | 75 Ų | 75 | 135.8 Ų | 135.8 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | | | trans | -92.5 | 92.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 673 | S | 60.4 | Low | 65.7 | Low | 83 Ų | 83 | 133.8 Ų | 133.8 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | | | trans | -139.9 | 29.6 | -174 | 72 | 0 | 0 | 0 | 0 | 113.9 | | |
| 674 | L | 64.2 | Low | 65.4 | Low | 131 Ų | 131 | 130.1 Ų | 130.1 | 69% | 0.686 | 75% | 0.747 | S | S | * | * | | | trans | -109.5 | 2.4 | -179.2 | -63.8 | -178.6 | 0 | 0 | 0 | 113.8 | N676 I677 | L674-N676 PolarHBondContact O-N 3.16Å; L674-I677 HydrophobicContact CB-CD1 4.31Å; L674-I677 VanDerWaalsContact O-CD1 3.23Å; L674-I677 WeakPolarHBondContact O-CD1 3.37Å; L674-I677 WeakPolarHBondContact O-CG1 3.24Å |
| 675 | D | 63.2 | Low | 65.2 | Low | 138 Ų | 138 | 129.5 Ų | 129.5 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -0.7 | -173.7 | -53.2 | -52.7 | 0 | 0 | 0 | 114.1 | | |
| 676 | N | 56 | Low | 65.1 | Low | 155 Ų | 155 | 131.2 Ų | 131.2 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 23.1 | -176.2 | -68.8 | -24.4 | 0 | 0 | 0 | 114 | L674 T678 | L674-N676 PolarHBondContact O-N 3.16Å; N676-T678 PolarHBondContact O-N 3.07Å |
| 677 | I | 63.1 | Low | 65.1 | Low | 133 Ų | 133 | 126.5 Ų | 126.5 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | | | trans | -80 | -0.7 | -174.1 | -65.5 | 170.5 | 0 | 0 | 0 | 112.9 | L674 H679 | L674-I677 HydrophobicContact CB-CD1 4.31Å; L674-I677 VanDerWaalsContact O-CD1 3.23Å; L674-I677 WeakPolarHBondContact O-CD1 3.37Å; L674-I677 WeakPolarHBondContact O-CG1 3.24Å; I677-H679 PolarHBondContact O-N 3.24Å |
| 678 | T | 60.6 | Low | 65.4 | Low | 131 Ų | 131 | 128.1 Ų | 128.1 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | -73.8 | 39.3 | -175.7 | -31.9 | 0 | 0 | 0 | 0 | 115 | N676 V680 | N676-T678 PolarHBondContact O-N 3.07Å; T678-V680 PolarHBondContact O-N 2.94Å |
| 679 | H | 64.6 | Low | 65.8 | Low | 150 Ų | 150 | 123.5 Ų | 123.5 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | | | trans | -88.6 | 93 | 174 | 179.6 | -87.1 | 0 | 0 | 0 | 111.3 | I677 | I677-H679 PolarHBondContact O-N 3.24Š|
| 680 | V | 66 | Low | 66.2 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 75% | 0.745 | 70% | 0.703 | S | S | * | * | | | trans | -80.9 | 121.8 | 161.4 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | T678 G682 | T678-V680 PolarHBondContact O-N 2.94Å; V680-G682 PolarHBondContact O-N 3.22Å |
| 681 | P | 66.8 | Low | 66.4 | Low | 99 Ų | 99 | 117.3 Ų | 117.3 | 64% | 0.643 | 69% | 0.686 | S | S | * | * | | | trans | -68.3 | 108.5 | -179.4 | 27 | -33.3 | 0 | 0 | 0 | 110.7 | G683 | P681-G683 PolarHBondContact O-N 3.33Š|
| 682 | G | 61.8 | Low | 66.9 | Low | 67 Ų | 67 | 119.4 Ų | 119.4 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | | | trans | -71.7 | 58.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V680 | V680-G682 PolarHBondContact O-N 3.22Š|
| 683 | G | 70.8 | Confident | 67.2 | Low | 75 Ų | 75 | 121.6 Ų | 121.6 | 77% | 0.773 | 68% | 0.684 | S | S | * | * | | | trans | -90.1 | 130 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | P681 | P681-G683 PolarHBondContact O-N 3.33Š|
| 684 | G | 63.8 | Low | 67.6 | Low | 70 Ų | 70 | 122.2 Ų | 122.2 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | | | trans | 155 | -22.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K686 | G684-K686 PolarHBondContact O-N 3.02Š|
| 685 | N | 64.8 | Low | 67.7 | Low | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 68% | 0.682 | S | S | * | * | | | trans | -74.5 | 14.5 | -168 | -48.5 | -8.3 | 0 | 0 | 0 | 115.4 | K687 | N685-K687 PolarHBondContact O-N 3.15Å; N685-K687 VanDerWaalsContact O-N 3.13Å |
| 686 | K | 69.2 | Low | 67.9 | Low | 194 Ų | 194 | 128.5 Ų | 128.5 | 84% | 0.843 | 69% | 0.692 | S | S | * | * | | | trans | -81.6 | 91.7 | -179.5 | -72.7 | -170 | 176.6 | -174.1 | 0 | 110.2 | G684 I688 | G684-K686 PolarHBondContact O-N 3.02Å; K686-I688 PolarHBondContact O-N 3.32Å |
| 687 | K | 70 | Confident | 68.3 | Low | 139 Ų | 139 | 129 Ų | 129 | 60% | 0.604 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.3 | 155.9 | -86.7 | -165.1 | 169.6 | -161.8 | 0 | 108.5 | A103 E104 N685 E689 | A103-K687 PolarHBondContact O-NZ 3Å; E104-K687 WeakPolarHBondContact O-CD 3.4Å; E104-K687 PolarHBondContact O-NZ 2.99Å; N685-K687 PolarHBondContact O-N 3.15Å; N685-K687 VanDerWaalsContact O-N 3.13Å; K687-E689 HydrophobicContact CB-CG 4.13Å |
| 688 | I | 76.4 | Confident | 68.3 | Low | 146 Ų | 146 | 129.3 Ų | 129.3 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 121.7 | 159.3 | -62.8 | 177.6 | 0 | 0 | 0 | 105.4 | K686 | K686-I688 PolarHBondContact O-N 3.32Š|
| 689 | E | 73 | Confident | 68.2 | Low | 80 Ų | 80 | 126.5 Ų | 126.5 | 37% | 0.374 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -100.4 | 131.6 | -172.9 | -44.8 | -165.6 | 130.6 | 0 | 0 | 106.8 | E105 A106 K687 | E105-E689 HydrophobicContact CB-CB 3.69Å; E105-E689 HydrophobicContact CB-CG 4.48Å; E105-E689 HydrophobicContact CG-CB 3.43Å; E105-E689 VanDerWaalsContact CG-CB 3.43Å; E105-E689 HydrophobicContact CG-CG 4.29Å; E105-E689 PolarHBondContact N-OE1 3.12Å; E105-E689 WeakPolarHBondContact OE2-CB 3.45Å; A106-E689 PolarHBondContact N-OE2 2.93Å; K687-E689 HydrophobicContact CB-CG 4.13Å |
| 690 | T | 76.4 | Confident | 68.1 | Low | 69 Ų | 69 | 128.5 Ų | 128.5 | 42% | 0.423 | 69% | 0.69 | S | S | . | * | | | trans | -135.7 | 65.7 | -157.5 | -46.7 | 0 | 0 | 0 | 0 | 112.5 | E104 E105 K692 | E104-T690 WeakPolarHBondContact OE1-CA 3.17Å; E104-T690 PolarHBondContact OE1-N 2.89Å; E105-T690 PolarHBondContact OE2-N 2.65Å; T690-K692 HydrophobicContact CG2-CG 4.35Å; T690-K692 PolarHBondContact O-N 2.96Å |
| 691 | H | 74.2 | Confident | 67.9 | Low | 121 Ų | 121 | 126.7 Ų | 126.7 | 56% | 0.56 | 69% | 0.687 | S | S | * | * | | | trans | -55.4 | 86.9 | 172.2 | -82.7 | -0.9 | 0 | 0 | 0 | 114.9 | E104 E105 L693 | E104-H691 IonicContact OE2-CE1 3.87Å; E104-H691 IonicContact OE2-CG 3.38Å; E104-H691 PolarHBondContact OE2-N 3.37Å; E104-H691 IonicContact OE2-ND1 3.78Å; E104-H691 PolarHBondContact OE2-ND1 2.79Å; E105-H691 VanDerWaalsContact CB-CE1 3.44Å; E105-H691 WeakPolarHBondContact CB-CE1 3.12Å; E105-H691 IonicContact OE1-CD2 3.18Å; E105-H691 PolarHBondContact OE1-CD2 3.36Å; E105-H691 IonicContact OE1-CG 2.9Å; E105-H691 IonicContact OE1-NE2 2.78Å; E105-H691 IonicContact OE2-CD2 2.78Å; E105-H691 IonicContact OE2-CE1 2.67Å; E105-H691 IonicContact OE2-CG 2.69Å; E105-H691 VanDerWaalsContact OE2-CG 3.26Å; E105-H691 PolarHBondContact OE2-N 3.21Å; E105-H691 IonicContact OE2-ND1 3.97Å; E105-H691 PolarHBondContact OE2-ND1 2.89Å; H691-L693 PolarHBondContact O-N 2.94Å; H691-L693 VanDerWaalsContact O-N 3.15Å |
| 692 | K | 75.2 | Confident | 67.7 | Low | 179 Ų | 179 | 132.3 Ų | 132.3 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | | | trans | -76.8 | 92.4 | 174.6 | -73.4 | 179.7 | -178.6 | 173.7 | 0 | 111.6 | T690 T694 | T690-K692 HydrophobicContact CG2-CG 4.35Å; T690-K692 PolarHBondContact O-N 2.96Å; K692-T694 PolarHBondContact O-N 2.92Å |
| 693 | L | 71.3 | Confident | 67.8 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 63% | 0.634 | 70% | 0.696 | S | S | * | * | | | trans | -71.6 | 110.9 | 175.4 | -65.6 | 172.6 | 0 | 0 | 0 | 112.1 | H691 F695 | H691-L693 PolarHBondContact O-N 2.94Å; H691-L693 VanDerWaalsContact O-N 3.15Å; L693-F695 VanDerWaalsContact C-N 3.33Å; L693-F695 HydrophobicContact CB-CD1 4.27Å; L693-F695 HydrophobicContact CB-CD2 4.33Å; L693-F695 HydrophobicContact CB-CE1 3.67Å; L693-F695 HydrophobicContact CB-CE2 3.74Å; L693-F695 HydrophobicContact CB-CZ 3.38Å; L693-F695 HydrophobicContact CD1-CE1 3.88Å; L693-F695 HydrophobicContact CD1-CZ 3.7Å; L693-F695 HydrophobicContact CG-CE1 4.39Å; L693-F695 HydrophobicContact CG-CZ 4.19Å; L693-F695 WeakPolarHBondContact O-CD2 3.48Å; L693-F695 WeakPolarHBondContact O-CE2 3.49Å; L693-F695 PolarHBondContact O-N 3.49Å; L693-F695 VanDerWaalsContact O-N 3.07Å |
| 694 | T | 69.1 | Low | 67.2 | Low | 95 Ų | 95 | 137.5 Ų | 137.5 | 58% | 0.583 | 70% | 0.699 | S | S | * | * | | | trans | -85.2 | 64.2 | -179.4 | 45.5 | 0 | 0 | 0 | 0 | 112.8 | K692 R696 | K692-T694 PolarHBondContact O-N 2.92Å; T694-R696 PolarHBondContact O-N 2.98Å |
| 695 | F | 66.1 | Low | 66.9 | Low | 149 Ų | 149 | 141.6 Ų | 141.6 | 65% | 0.654 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -55 | -21.2 | -176.2 | -48.9 | -78.3 | 0 | 0 | 0 | 115.4 | L693 A699 | L693-F695 VanDerWaalsContact C-N 3.33Å; L693-F695 HydrophobicContact CB-CD1 4.27Å; L693-F695 HydrophobicContact CB-CD2 4.33Å; L693-F695 HydrophobicContact CB-CE1 3.67Å; L693-F695 HydrophobicContact CB-CE2 3.74Å; L693-F695 HydrophobicContact CB-CZ 3.38Å; L693-F695 HydrophobicContact CD1-CE1 3.88Å; L693-F695 HydrophobicContact CD1-CZ 3.7Å; L693-F695 HydrophobicContact CG-CE1 4.39Å; L693-F695 HydrophobicContact CG-CZ 4.19Å; L693-F695 WeakPolarHBondContact O-CD2 3.48Å; L693-F695 WeakPolarHBondContact O-CE2 3.49Å; L693-F695 PolarHBondContact O-N 3.49Å; L693-F695 VanDerWaalsContact O-N 3.07Å; F695-A699 WeakPolarHBondContact O-CB 3.33Å |
| 696 | R | 66 | Low | 66.5 | Low | 253 Ų | 253 | 138.7 Ų | 138.7 | 96% | 0.955 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -81.5 | -19 | -168.1 | -55.1 | -176.5 | 88 | 158.3 | 4.3 | 114.7 | T694 | T694-R696 PolarHBondContact O-N 2.98Å |
| 697 | E | 65.1 | Low | 66.1 | Low | 164 Ų | 164 | 133.3 Ų | 133.3 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -104.8 | -39.7 | -173.1 | -167.5 | 167 | -164.2 | 0 | 0 | 112.3 | | |
| 698 | N | 62.2 | Low | 65.7 | Low | 140 Ų | 140 | 135.4 Ų | 135.4 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -85.2 | -16.5 | 179.2 | -71.1 | -23.7 | 0 | 0 | 0 | 114 | K700 | N698-K700 VanDerWaalsContact C-N 3.31Å; N698-K700 PolarHBondContact O-N 3.28Å |
| 699 | A | 60 | Low | 65.1 | Low | 72 Ų | 72 | 134.9 Ų | 134.9 | 60% | 0.595 | 71% | 0.706 | S | S | * | * | | | trans | -79.3 | 73.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F695 A701 | F695-A699 WeakPolarHBondContact O-CB 3.33Å; A699-A701 PolarHBondContact O-N 3.36Å |
| 700 | K | 60.9 | Low | 64.8 | Low | 193 Ų | 193 | 136.4 Ų | 136.4 | 84% | 0.839 | 72% | 0.721 | S | S | * | * | | | trans | -60.4 | 106.5 | 168.3 | -69.3 | -171.1 | 177.6 | -175 | 0 | 109.8 | N698 K702 | N698-K700 VanDerWaalsContact C-N 3.31Å; N698-K700 PolarHBondContact O-N 3.28Å; K700-K702 PolarHBondContact O-N 2.95Å |
| 701 | A | 63.2 | Low | 64.1 | Low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | | | trans | -59.1 | 125.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | A699 T703 | A699-A701 PolarHBondContact O-N 3.36Å; A701-T703 PolarHBondContact O-N 3.04Å; A701-T703 VanDerWaalsContact O-N 3.07Å |
| 702 | K | 63.2 | Low | 63.4 | Low | 217 Ų | 217 | 146.4 Ų | 146.4 | 94% | 0.943 | 75% | 0.752 | S | S | * | * | | | trans | -79.2 | 26.3 | 174 | -69.8 | -174.3 | 174 | -179.6 | 0 | 112.8 | K700 | K700-K702 PolarHBondContact O-N 2.95Š|
| 703 | T | 62.5 | Low | 62.4 | Low | 93 Ų | 93 | 142.8 Ų | 142.8 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -102.5 | 121.3 | -179.8 | -50.8 | 0 | 0 | 0 | 0 | 108.2 | A701 H705 | A701-T703 PolarHBondContact O-N 3.04Å; A701-T703 VanDerWaalsContact O-N 3.07Å; T703-H705 PolarHBondContact O-N 3.45Å |
| 704 | D | 57.7 | Low | 61.9 | Low | 158 Ų | 158 | 142.7 Ų | 142.7 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -76.2 | 54.1 | -167.8 | -170.7 | 28.8 | 0 | 0 | 0 | 113.8 | | |
| 705 | H | 57.9 | Low | 60.5 | Low | 156 Ų | 156 | 144.8 Ų | 144.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -129.4 | 75.3 | -175.1 | -62.7 | -12.5 | 0 | 0 | 0 | 109.4 | T703 A707 | T703-H705 PolarHBondContact O-N 3.45Å; H705-A707 VanDerWaalsContact C-N 3.3Å; H705-A707 PolarHBondContact O-N 2.92Å |
| 706 | G | 57.6 | Low | 59.8 | Low | 90 Ų | 90 | 144 Ų | 144 | 93% | 0.928 | 78% | 0.776 | S | S | * | * | | | trans | -70.4 | 73.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 707 | A | 60.1 | Low | 58.7 | Low | 81 Ų | 81 | 137.3 Ų | 137.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | trans | -103.2 | 106.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | H705 I709 | H705-A707 VanDerWaalsContact C-N 3.3Å; H705-A707 PolarHBondContact O-N 2.92Å; A707-I709 PolarHBondContact O-N 3.3Å |
| 708 | E | 60.9 | Low | 57.6 | Low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | trans | -71.3 | 106.3 | 171.2 | -66.9 | -174.4 | 161.3 | 0 | 0 | 110 | V710 | E708-V710 PolarHBondContact O-N 3.07Š|
| 709 | I | 65.1 | Low | 56.5 | Low | 134 Ų | 134 | 133.1 Ų | 133.1 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | -82.8 | 85.9 | 176.3 | -54 | -178.7 | 0 | 0 | 0 | 108.9 | A707 Y711 | A707-I709 PolarHBondContact O-N 3.3Å; I709-Y711 HydrophobicContact CG2-CD2 3.88Å; I709-Y711 HydrophobicContact CG2-CE2 3.66Å; I709-Y711 PolarHBondContact O-N 3.2Å |
| 710 | V | 65.6 | Low | 55.8 | Low | 113 Ų | 113 | 135.9 Ų | 135.9 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -69.8 | 97.2 | 175.8 | -179 | 0 | 0 | 0 | 0 | 110 | E708 K712 | E708-V710 PolarHBondContact O-N 3.07Å; V710-K712 VanDerWaalsContact C-N 3.35Å; V710-K712 PolarHBondContact O-N 3.07Å |
| 711 | Y | 62.6 | Low | 54.9 | Low | 212 Ų | 212 | 131.3 Ų | 131.3 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | trans | -71 | 87.5 | 170.2 | -90.7 | -88.3 | 0 | 0 | 0 | 111 | I709 S713 | I709-Y711 HydrophobicContact CG2-CD2 3.88Å; I709-Y711 HydrophobicContact CG2-CE2 3.66Å; I709-Y711 PolarHBondContact O-N 3.2Å; Y711-S713 PolarHBondContact O-N 3.04Å |
| 712 | K | 59.1 | Low | 54.4 | Low | 188 Ų | 188 | 133.6 Ų | 133.6 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | | | trans | -70.6 | 109.5 | 158.9 | -89.7 | -171.1 | 167.7 | -171.6 | 0 | 109 | V710 | V710-K712 VanDerWaalsContact C-N 3.35Å; V710-K712 PolarHBondContact O-N 3.07Å |
| 713 | S | 54.6 | Low | 53.8 | Low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | | | trans | -65.3 | 134.3 | 166.1 | 42 | 0 | 0 | 0 | 0 | 110.5 | Y711 | Y711-S713 PolarHBondContact O-N 3.04Š|
| 714 | P | 60.1 | Low | 53.2 | Low | 120 Ų | 120 | 137.4 Ų | 137.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -62.1 | 134.5 | 168.9 | -23.4 | 34.8 | 0 | 0 | 0 | 111 | V716 | P714-V716 PolarHBondContact O-N 2.95Š|
| 715 | V | 40.2 | Very low | 52.6 | Low | 138 Ų | 138 | 138.4 Ų | 138.4 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -84.2 | 105.7 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 716 | V | 51.9 | Low | 52.1 | Low | 133 Ų | 133 | 134.6 Ų | 134.6 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -136.9 | 108.8 | 164.2 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | P714 | P714-V716 PolarHBondContact O-N 2.95Š|
| 717 | S | 41.4 | Very low | 51.4 | Low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -75.7 | 141.9 | 167.8 | -49.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 718 | G | 42.8 | Very low | 50.9 | Low | 52 Ų | 52 | 140.5 Ų | 140.5 | 54% | 0.536 | 78% | 0.776 | S | S | . | * | | | trans | 172.6 | 26.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | T720 | G718-T720 PolarHBondContact O-N 3.42Š|
| 719 | D | 38.8 | Very low | 50 | Low | 165 Ų | 165 | 137.7 Ų | 137.7 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | 50.9 | 30.4 | 140.8 | -48.7 | -10.7 | 0 | 0 | 0 | 120.1 | | |
| 720 | T | 45.1 | Very low | 49.1 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -132.3 | 142.9 | 164 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | G718 P722 | G718-T720 PolarHBondContact O-N 3.42Å; T720-P722 WeakPolarHBondContact O-CD 3.23Å |
| 721 | S | 42.4 | Very low | 48.3 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -103.9 | 113.3 | -168.7 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | R723 | S721-R723 PolarHBondContact O-N 2.94Š|
| 722 | P | 53.5 | Low | 47.8 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 91.1 | 176.1 | -14.6 | 31.1 | 0 | 0 | 0 | 110.8 | T720 | T720-P722 WeakPolarHBondContact O-CD 3.23Š|
| 723 | R | 51 | Low | 47.4 | Very low | 224 Ų | 224 | 127.5 Ų | 127.5 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -84.5 | 148 | 175.4 | -76.8 | -176.7 | 168.7 | 174.9 | -4.8 | 111.8 | S721 | S721-R723 PolarHBondContact O-N 2.94Š|
| 724 | H | 49.7 | Very low | 47.5 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | | | trans | 76 | 76.9 | 160.1 | -136 | -99.1 | 0 | 0 | 0 | 118.2 | S726 | H724-S726 PolarHBondContact O-N 3.04Š|
| 725 | L | 44.9 | Very low | 47 | Very low | 179 Ų | 179 | 129.2 Ų | 129.2 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | | | trans | -63.7 | 114 | 153.8 | -66.8 | 172.6 | 0 | 0 | 0 | 109.3 | | |
| 726 | S | 46.7 | Very low | 47.6 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 77% | 0.774 | S | S | . | * | | | trans | -125.2 | 144.2 | 169.3 | 57.9 | 0 | 0 | 0 | 0 | 110.8 | H724 V728 | H724-S726 PolarHBondContact O-N 3.04Å; S726-V728 PolarHBondContact O-N 3.24Å |
| 727 | N | 42.4 | Very low | 47.7 | Very low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 77% | 0.772 | S | S | * | * | | | trans | -82.3 | 81.5 | -163 | -65.1 | -29.3 | 0 | 0 | 0 | 113.1 | | |
| 728 | V | 50.2 | Low | 48.2 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 76% | 0.758 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -128.7 | 141.9 | 160.3 | -70.3 | 0 | 0 | 0 | 0 | 110 | S726 S730 | S726-V728 PolarHBondContact O-N 3.24Å; V728-S730 PolarHBondContact O-N 3.4Å; V728-S730 VanDerWaalsContact O-N 3.16Å |
| 729 | S | 42.4 | Very low | 48.6 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | | | trans | -60.9 | 112.8 | -163.3 | -56.2 | 0 | 0 | 0 | 0 | 114.3 | T731 | S729-T731 PolarHBondContact O-N 3.4Å; S729-T731 VanDerWaalsContact O-N 3.08Å |
| 730 | S | 46.2 | Very low | 49.5 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | -69.6 | 101.1 | 166 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | V728 G732 | V728-S730 PolarHBondContact O-N 3.4Å; V728-S730 VanDerWaalsContact O-N 3.16Å; S730-G732 PolarHBondContact O-N 3.03Å |
| 731 | T | 48.7 | Very low | 50.3 | Low | 135 Ų | 135 | 129 Ų | 129 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | | | trans | -59.8 | 117.8 | 155.4 | 46.1 | 0 | 0 | 0 | 0 | 107.4 | S729 S733 | S729-T731 PolarHBondContact O-N 3.4Å; S729-T731 VanDerWaalsContact O-N 3.08Å; T731-S733 PolarHBondContact O-N 2.85Å |
| 732 | G | 52.1 | Low | 51.1 | Low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -53.7 | 127.9 | -163 | 0 | 0 | 0 | 0 | 0 | 113.7 | S730 I734 | S730-G732 PolarHBondContact O-N 3.03Å; G732-I734 PolarHBondContact O-N 3.23Å; G732-I734 VanDerWaalsContact O-N 3.15Å |
| 733 | S | 51.5 | Low | 51.7 | Low | 107 Ų | 107 | 126.9 Ų | 126.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | trans | -61.1 | 113.9 | 168.5 | 48.6 | 0 | 0 | 0 | 0 | 109.3 | T731 D735 | T731-S733 PolarHBondContact O-N 2.85Å; S733-D735 PolarHBondContact O-N 3.43Å; S733-D735 VanDerWaalsContact O-N 3.12Å |
| 734 | I | 56.3 | Low | 52.8 | Low | 141 Ų | 141 | 120.3 Ų | 120.3 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | | | trans | -65.8 | 107.8 | 161.4 | 177.6 | 63.6 | 0 | 0 | 0 | 106.8 | G732 M736 | G732-I734 PolarHBondContact O-N 3.23Å; G732-I734 VanDerWaalsContact O-N 3.15Å; I734-M736 VanDerWaalsContact C-N 3.26Å; I734-M736 HydrophobicContact CB-CG 4.47Å; I734-M736 HydrophobicContact CG1-CG 3.86Å; I734-M736 HydrophobicContact CG2-CG 4.06Å; I734-M736 HydrophobicContact CG2-SD 4.29Å; I734-M736 PolarHBondContact O-N 2.81Å |
| 735 | D | 49.7 | Very low | 54.1 | Low | 117 Ų | 117 | 116.5 Ų | 116.5 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | | | trans | -77.5 | 81.9 | -178.2 | -146.1 | -33.2 | 0 | 0 | 0 | 109 | S733 V737 | S733-D735 PolarHBondContact O-N 3.43Å; S733-D735 VanDerWaalsContact O-N 3.12Å; D735-V737 PolarHBondContact O-N 2.91Å |
| 736 | M | 52.7 | Low | 55.9 | Low | 162 Ų | 162 | 110.7 Ų | 110.7 | 80% | 0.798 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 6.5 | -172.1 | -69.4 | -179.9 | 61.1 | 0 | 0 | 114 | I734 | I734-M736 VanDerWaalsContact C-N 3.26Å; I734-M736 HydrophobicContact CB-CG 4.47Å; I734-M736 HydrophobicContact CG1-CG 3.86Å; I734-M736 HydrophobicContact CG2-CG 4.06Å; I734-M736 HydrophobicContact CG2-SD 4.29Å; I734-M736 PolarHBondContact O-N 2.81Å |
| 737 | V | 54.6 | Low | 57.7 | Low | 126 Ų | 126 | 112.9 Ų | 112.9 | 76% | 0.764 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -25.2 | -167.3 | -162.7 | 0 | 0 | 0 | 0 | 112.5 | D735 | D735-V737 PolarHBondContact O-N 2.91Š|
| 738 | D | 50.7 | Low | 59.7 | Low | 136 Ų | 136 | 110.8 Ų | 110.8 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -110.1 | 61 | -173.2 | -161 | 13 | 0 | 0 | 0 | 113.3 | | |
| 739 | S | 50.8 | Low | 61.5 | Low | 63 Ų | 63 | 108.9 Ų | 108.9 | 44% | 0.441 | 65% | 0.654 | S | S | . | * | | | trans | -148.3 | 69.9 | 169.7 | -80.9 | 0 | 0 | 0 | 0 | 112.2 | Q741 L742 | S739-Q741 PolarHBondContact O-N 3.12Å; S739-L742 PolarHBondContact O-N 2.94Å |
| 740 | P | 58.4 | Low | 63.6 | Low | 90 Ų | 90 | 106.2 Ų | 106.2 | 58% | 0.584 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.4 | -22.2 | 172.1 | 24 | -34.5 | 0 | 0 | 0 | 112.8 | L742 A743 T744 | P740-L742 VanDerWaalsContact C-N 3.29Å; P740-L742 PolarHBondContact O-N 3.34Å; P740-A743 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-OG1 2.84Å |
| 741 | Q | 61.5 | Low | 65.6 | Low | 148 Ų | 148 | 102.7 Ų | 102.7 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -61.6 | -31.9 | 173.2 | -66.4 | -175.2 | -9.1 | 0 | 0 | 113.5 | S739 T744 L745 | S739-Q741 PolarHBondContact O-N 3.12Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.34Å; Q741-T744 PolarHBondContact O-OG1 2.71Å; Q741-L745 WeakPolarHBondContact O-CB 3.44Å; Q741-L745 WeakPolarHBondContact O-CD1 3.21Å; Q741-L745 VanDerWaalsContact O-CG 3.23Å; Q741-L745 WeakPolarHBondContact O-CG 3.29Å; Q741-L745 PolarHBondContact O-N 2.88Å |
| 742 | L | 59.5 | Low | 67.5 | Low | 118 Ų | 118 | 98.7 Ų | 98.7 | 62% | 0.618 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -73.8 | -34.1 | 176.2 | -67.2 | 178 | 0 | 0 | 0 | 111.8 | S739 P740 L745 A746 | S739-L742 PolarHBondContact O-N 2.94Å; P740-L742 VanDerWaalsContact C-N 3.29Å; P740-L742 PolarHBondContact O-N 3.34Å; L742-L745 HydrophobicContact CD2-CD1 4.36Å; L742-L745 PolarHBondContact O-N 2.93Å; L742-A746 WeakPolarHBondContact O-CB 3.34Å; L742-A746 PolarHBondContact O-N 2.87Å |
| 743 | A | 65.5 | Low | 69.1 | Low | 67 Ų | 67 | 98.7 Ų | 98.7 | 55% | 0.554 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.3 | -45.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | P740 L745 A746 D747 | P740-A743 PolarHBondContact O-N 3.45Å; A743-L745 VanDerWaalsContact C-N 3.32Å; A743-L745 PolarHBondContact O-N 3.38Å; A743-A746 PolarHBondContact O-N 2.81Å; A743-D747 PolarHBondContact O-N 2.78Å |
| 744 | T | 73.5 | Confident | 70.8 | Confident | 85 Ų | 85 | 97 Ų | 97 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.4 | -33.6 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | P740 Q741 D747 E748 | P740-T744 PolarHBondContact O-N 3.45Å; P740-T744 PolarHBondContact O-OG1 2.84Å; Q741-T744 WeakPolarHBondContact CA-OG1 3.34Å; Q741-T744 PolarHBondContact O-OG1 2.71Å; T744-D747 PolarHBondContact O-N 2.99Å; T744-E748 VanDerWaalsContact O-CB 3.22Å; T744-E748 WeakPolarHBondContact O-CB 3.22Å; T744-E748 PolarHBondContact O-N 2.69Å |
| 745 | L | 79 | Confident | 72.1 | Confident | 87 Ų | 87 | 97.8 Ų | 97.8 | 46% | 0.455 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -35.4 | 174 | -78 | 166.7 | 0 | 0 | 0 | 112.2 | Q741 L742 A743 E748 V749 | Q741-L745 WeakPolarHBondContact O-CB 3.44Å; Q741-L745 WeakPolarHBondContact O-CD1 3.21Å; Q741-L745 VanDerWaalsContact O-CG 3.23Å; Q741-L745 WeakPolarHBondContact O-CG 3.29Å; Q741-L745 PolarHBondContact O-N 2.88Å; L742-L745 HydrophobicContact CD2-CD1 4.36Å; L742-L745 PolarHBondContact O-N 2.93Å; A743-L745 VanDerWaalsContact C-N 3.32Å; A743-L745 PolarHBondContact O-N 3.38Å; L745-E748 PolarHBondContact O-N 2.92Å; L745-V749 VanDerWaalsContact O-CB 3.29Å; L745-V749 WeakPolarHBondContact O-CB 3.37Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.42Å; L745-V749 PolarHBondContact O-N 3.33Å |
| 746 | A | 80.8 | Confident | 73.6 | Confident | 56 Ų | 56 | 97.4 Ų | 97.4 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.9 | -42.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L742 A743 S750 | L742-A746 WeakPolarHBondContact O-CB 3.34Å; L742-A746 PolarHBondContact O-N 2.87Å; A743-A746 PolarHBondContact O-N 2.81Å; A746-S750 VanDerWaalsContact O-CB 3.27Å; A746-S750 WeakPolarHBondContact O-CB 3.27Å; A746-S750 PolarHBondContact O-N 2.72Å; A746-S750 PolarHBondContact O-OG 3.42Å |
| 747 | D | 84.7 | Confident | 74.8 | Confident | 123 Ų | 123 | 90 Ų | 90 | 66% | 0.658 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 173.5 | -111.2 | 0.8 | 0 | 0 | 0 | 112.2 | A743 T744 S750 A751 | A743-D747 PolarHBondContact O-N 2.78Å; T744-D747 PolarHBondContact O-N 2.99Å; D747-S750 PolarHBondContact O-N 3.1Å; D747-A751 WeakPolarHBondContact O-CB 3.22Å; D747-A751 PolarHBondContact O-N 3.38Å |
| 748 | E | 85.6 | Confident | 75.2 | Confident | 125 Ų | 125 | 90.9 Ų | 90.9 | 58% | 0.584 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.9 | -37.4 | 179.4 | -173.4 | 170 | -158 | 0 | 0 | 112.2 | T744 L745 S752 | T744-E748 VanDerWaalsContact O-CB 3.22Å; T744-E748 WeakPolarHBondContact O-CB 3.22Å; T744-E748 PolarHBondContact O-N 2.69Å; L745-E748 PolarHBondContact O-N 2.92Å; E748-S752 WeakPolarHBondContact O-CB 3.5Å; E748-S752 PolarHBondContact O-N 3.29Å; E748-S752 PolarHBondContact O-OG 2.9Å |
| 749 | V | 87.7 | Confident | 76.4 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -45 | 170.4 | 168.2 | 0 | 0 | 0 | 0 | 110.4 | L745 S752 L753 | L745-V749 VanDerWaalsContact O-CB 3.29Å; L745-V749 WeakPolarHBondContact O-CB 3.37Å; L745-V749 VanDerWaalsContact O-CG2 3.22Å; L745-V749 WeakPolarHBondContact O-CG2 3.42Å; L745-V749 PolarHBondContact O-N 3.33Å; V749-S752 CarbonylContact O-C 3.2Å; V749-S752 WeakPolarHBondContact O-CB 3.22Å; V749-S752 PolarHBondContact O-N 3.07Å; V749-S752 VanDerWaalsContact O-N 3.12Å; V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CD1 3.5Å; V749-L753 PolarHBondContact O-N 2.97Å |
| 750 | S | 87.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 90 Ų | 90 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 178.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | A746 D747 S752 L753 A754 | A746-S750 VanDerWaalsContact O-CB 3.27Å; A746-S750 WeakPolarHBondContact O-CB 3.27Å; A746-S750 PolarHBondContact O-N 2.72Å; A746-S750 PolarHBondContact O-OG 3.42Å; D747-S750 PolarHBondContact O-N 3.1Å; S750-S752 VanDerWaalsContact C-N 3.27Å; S750-S752 PolarHBondContact O-N 3Å; S750-L753 PolarHBondContact O-N 2.76Å; S750-A754 WeakPolarHBondContact O-CB 3.41Å; S750-A754 PolarHBondContact O-N 3.36Å |
| 751 | A | 87.5 | Confident | 78.8 | Confident | 44 Ų | 44 | 90 Ų | 90 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -26.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D747 K755 | D747-A751 WeakPolarHBondContact O-CB 3.22Å; D747-A751 PolarHBondContact O-N 3.38Å; A751-K755 WeakPolarHBondContact O-CB 3.4Å; A751-K755 WeakPolarHBondContact O-CD 3.43Å; A751-K755 WeakPolarHBondContact O-CG 3.2Å; A751-K755 PolarHBondContact O-N 2.97Å; A751-K755 VanDerWaalsContact O-N 3.07Å |
| 752 | S | 87.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 86.6 Ų | 86.6 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.5 | -41.8 | 173.4 | -64.4 | 0 | 0 | 0 | 0 | 112 | E748 V749 S750 K755 Q756 | E748-S752 WeakPolarHBondContact O-CB 3.5Å; E748-S752 PolarHBondContact O-N 3.29Å; E748-S752 PolarHBondContact O-OG 2.9Å; V749-S752 CarbonylContact O-C 3.2Å; V749-S752 WeakPolarHBondContact O-CB 3.22Å; V749-S752 PolarHBondContact O-N 3.07Å; V749-S752 VanDerWaalsContact O-N 3.12Å; S750-S752 VanDerWaalsContact C-N 3.27Å; S750-S752 PolarHBondContact O-N 3Å; S752-K755 PolarHBondContact O-N 2.67Å; S752-Q756 WeakPolarHBondContact O-CG 3.06Å; S752-Q756 PolarHBondContact O-N 3.21Å |
| 753 | L | 87.1 | Confident | 81.1 | Confident | 74 Ų | 74 | 84.6 Ų | 84.6 | 39% | 0.387 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 170.1 | -94.4 | 77.3 | 0 | 0 | 0 | 110.5 | V749 S750 K755 Q756 G757 L758 | V749-L753 HydrophobicContact CG1-CD1 3.92Å; V749-L753 WeakPolarHBondContact O-CD1 3.5Å; V749-L753 PolarHBondContact O-N 2.97Å; S750-L753 PolarHBondContact O-N 2.76Å; L753-K755 VanDerWaalsContact C-N 3.29Å; L753-K755 PolarHBondContact O-N 2.69Å; L753-Q756 CarbonylContact O-C 3.59Å; L753-Q756 WeakPolarHBondContact O-CA 3.43Å; L753-Q756 PolarHBondContact O-N 3.26Å; L753-G757 PolarHBondContact O-N 3.11Å; L753-L758 HydrophobicContact CB-CB 4.37Å; L753-L758 HydrophobicContact CD2-CB 4.03Å; L753-L758 HydrophobicContact CG-CB 4.08Å; L753-L758 PolarHBondContact O-N 3.37Å; L753-L758 VanDerWaalsContact O-N 3.1Å |
| 754 | A | 85.8 | Confident | 82.2 | Confident | 71 Ų | 71 | 85.8 Ų | 85.8 | 59% | 0.587 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.7 | -34.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S750 G757 | S750-A754 WeakPolarHBondContact O-CB 3.41Å; S750-A754 PolarHBondContact O-N 3.36Å; A754-G757 PolarHBondContact O-N 3.44Å |
| 755 | K | 84.3 | Confident | 82.8 | Confident | 158 Ų | 158 | 85.9 Ų | 85.9 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.5 | -27.1 | 172.1 | -76.3 | 166.9 | -174.7 | 166.5 | 0 | 113.7 | A751 S752 L753 | A751-K755 WeakPolarHBondContact O-CB 3.4Å; A751-K755 WeakPolarHBondContact O-CD 3.43Å; A751-K755 WeakPolarHBondContact O-CG 3.2Å; A751-K755 PolarHBondContact O-N 2.97Å; A751-K755 VanDerWaalsContact O-N 3.07Å; S752-K755 PolarHBondContact O-N 2.67Å; L753-K755 VanDerWaalsContact C-N 3.29Å; L753-K755 PolarHBondContact O-N 2.69Å |
| 756 | Q | 81.9 | Confident | 83.1 | Confident | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -86.9 | -12.7 | 171.6 | -68.1 | -178.1 | 8.4 | 0 | 0 | 112.5 | P533 S752 L753 L758 | P533-Q756 WeakPolarHBondContact CA-O 3.43Å; P533-Q756 WeakPolarHBondContact CB-O 3.41Å; S752-Q756 WeakPolarHBondContact O-CG 3.06Å; S752-Q756 PolarHBondContact O-N 3.21Å; L753-Q756 CarbonylContact O-C 3.59Å; L753-Q756 WeakPolarHBondContact O-CA 3.43Å; L753-Q756 PolarHBondContact O-N 3.26Å; Q756-L758 HydrophobicContact CB-CD1 3.71Å |
| 757 | G | 77.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 88.3 Ų | 88.3 | 6% | 0.062 | 50% | 0.495 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 32.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | L532 L753 A754 | L532-G757 WeakPolarHBondContact CA-O 3.45Å; L532-G757 VanDerWaalsContact N-CA 3.25Å; L532-G757 PolarHBondContact N-O 3.29Å; L753-G757 PolarHBondContact O-N 3.11Å; A754-G757 PolarHBondContact O-N 3.44Å |
| 758 | L | 62.6 | Low | 83.1 | Confident | 145 Ų | 145 | 85.1 Ų | 85.1 | 76% | 0.759 | 48% | 0.481 | S | S | * | . | | | trans | -89.4 | 0 | 168.5 | -76 | 87.5 | 0 | 0 | 0 | 110.5 | L753 Q756 | L753-L758 HydrophobicContact CB-CB 4.37Å; L753-L758 HydrophobicContact CD2-CB 4.03Å; L753-L758 HydrophobicContact CG-CB 4.08Å; L753-L758 PolarHBondContact O-N 3.37Å; L753-L758 VanDerWaalsContact O-N 3.1Å; Q756-L758 HydrophobicContact CB-CD1 3.71Å |