| 1 | M | 41.1 | Very low | 43.6 | Very low | 236 Ų | 236 | 161 Ų | 161 | 100% | 1.163 | 85% | 0.845 | S | S | * | * | | | | 0 | 122.2 | 0 | -71.4 | -170.9 | 172.5 | 0 | 0 | 107.6 | | |
| 2 | H | 39.2 | Very low | 43.7 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | | | trans | -76.9 | 128.6 | -171.9 | -76.6 | -98.4 | 0 | 0 | 0 | 111.5 | | |
| 3 | F | 39.4 | Very low | 43.8 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 90% | 0.899 | 83% | 0.834 | S | S | * | * | | | trans | -139.5 | 91.6 | 153.6 | -78.8 | -77.9 | 0 | 0 | 0 | 108.8 | | |
| 4 | L | 47 | Very low | 43.7 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 81% | 0.812 | 83% | 0.832 | S | S | * | * | | | trans | -150.4 | 93.1 | 170.4 | -131.1 | 141.8 | 0 | 0 | 0 | 108.4 | | |
| 5 | T | 43.8 | Very low | 43.6 | Very low | 127 Ų | 127 | 156.3 Ų | 156.3 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | | | trans | -165.6 | 93.9 | 160.5 | 4.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 6 | I | 45.9 | Very low | 43.3 | Very low | 150 Ų | 150 | 153.1 Ų | 153.1 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | | | | 81.4 | 104.8 | 93.8 | -67.8 | 166.4 | 0 | 0 | 0 | 112.2 | | |
| 7 | Y | 38.9 | Very low | 43.1 | Very low | 216 Ų | 216 | 154.4 Ų | 154.4 | 85% | 0.847 | 84% | 0.836 | S | S | * | * | | | trans | -64.7 | 152 | 152.4 | -106.4 | -102.2 | 0 | 0 | 0 | 108.8 | | |
| 8 | P | 47.7 | Very low | 42.8 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | | | | -159 | 173.1 | 64 | 38.3 | -14.1 | 0 | 0 | 0 | 118.6 | | |
| 9 | N | 46.1 | Very low | 42.6 | Very low | 140 Ų | 140 | 156.6 Ų | 156.6 | 75% | 0.749 | 84% | 0.835 | S | S | * | * | | | trans | -15.6 | 134.2 | 154.2 | -170.1 | -13.4 | 0 | 0 | 0 | 118.2 | | |
| 10 | C | 41.7 | Very low | 42.3 | Very low | 130 Ų | 130 | 155.3 Ų | 155.3 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | | | trans | -154.7 | 125.3 | 151.4 | -90.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 11 | S | 49 | Very low | 42.1 | Very low | 116 Ų | 116 | 157.5 Ų | 157.5 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | | | trans | -61.2 | 150.7 | 164.8 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 12 | G | 45 | Very low | 41.8 | Very low | 68 Ų | 68 | 154.9 Ų | 154.9 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | trans | -172.9 | 88 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 13 | V | 44.1 | Very low | 41.8 | Very low | 140 Ų | 140 | 154.7 Ų | 154.7 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | | | trans | -60.8 | 128.8 | 160.1 | 166.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 14 | V | 43 | Very low | 42 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 82% | 0.816 | S | S | * | * | | | trans | -135.4 | 111.9 | 165.8 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 15 | R | 42 | Very low | 42.2 | Very low | 233 Ų | 233 | 150.1 Ų | 150.1 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | -71.8 | 133.7 | 163.4 | 170.8 | -173.5 | -69.8 | 163.9 | -3.4 | 109 | | |
| 16 | A | 38.6 | Very low | 42 | Very low | 105 Ų | 105 | 152.6 Ų | 152.6 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | -129.5 | 116.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 17 | Q | 39.8 | Very low | 41.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | | | trans | -129.2 | 134.1 | 171.9 | -161.7 | -171.2 | 39.9 | 0 | 0 | 109 | | |
| 18 | S | 38.9 | Very low | 41.1 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | | | trans | 55.7 | 124.4 | 152.5 | 61.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 19 | R | 38.4 | Very low | 40.8 | Very low | 248 Ų | 248 | 147 Ų | 147 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | | | trans | -127.3 | 126 | 146.4 | -158.5 | 174.5 | -171.1 | 178.2 | 1.9 | 109.9 | | |
| 20 | T | 37.4 | Very low | 40.6 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -72 | 140.5 | 179.1 | 40.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 21 | E | 37 | Very low | 40.7 | Very low | 201 Ų | 201 | 147.8 Ų | 147.8 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | | | trans | -104.9 | 135.6 | 169.2 | -157 | -171.5 | 124.2 | 0 | 0 | 109.5 | | |
| 22 | Q | 34.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -128.3 | 106.5 | -170.2 | -171.8 | 179 | 41.2 | 0 | 0 | 112 | | |
| 23 | K | 39.8 | Very low | 39.6 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | | | | 73.7 | 101.8 | 129.2 | -146.3 | 172.2 | -174.6 | -177.9 | 0 | 121.8 | | |
| 24 | N | 43.5 | Very low | 39.6 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | | | | 35.2 | 143.3 | 124.8 | -62.7 | -25.8 | 0 | 0 | 0 | 120.8 | | |
| 25 | P | 50.4 | Low | 39.5 | Very low | 114 Ų | 114 | 152.4 Ų | 152.4 | 74% | 0.74 | 81% | 0.811 | S | S | * | * | | | | -157.2 | 163.2 | 75.5 | 42.4 | -21.6 | 0 | 0 | 0 | 119.6 | | |
| 26 | L | 41 | Very low | 39.5 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | | | trans | 83.4 | 125.1 | 152.2 | -68 | 156.9 | 0 | 0 | 0 | 122 | | |
| 27 | G | 31 | Very low | 39.4 | Very low | 70 Ų | 70 | 147.1 Ų | 147.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | 113.8 | 88.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 28 | L | 35.1 | Very low | 39.3 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | | 88.8 | 124.9 | 93 | -133.5 | 76.7 | 0 | 0 | 0 | 112 | | |
| 29 | D | 40.6 | Very low | 39.1 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 80% | 0.8 | S | S | * | * | | | trans | 73.1 | 137.2 | 155.9 | -51 | -31.6 | 0 | 0 | 0 | 116.6 | | |
| 30 | D | 40.7 | Very low | 39 | Very low | 132 Ų | 132 | 142.2 Ų | 142.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | cis | -175.5 | 153.3 | 6.8 | 175.6 | 35.7 | 0 | 0 | 0 | 107.8 | | |
| 31 | L | 45.1 | Very low | 39.3 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | 66.7 | 109.7 | 161.3 | -113.5 | 81.7 | 0 | 0 | 0 | 122.2 | | |
| 32 | G | 32 | Very low | 39.5 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | | 121.6 | 122.8 | 113.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 33 | N | 38.6 | Very low | 39.7 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | | | trans | 72.6 | 117 | 159.7 | -91 | -9.9 | 0 | 0 | 0 | 116.1 | | |
| 34 | Q | 44.5 | Very low | 39.9 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | | | cis | -158.4 | 142 | 40.4 | -62.8 | -170 | 73.9 | 0 | 0 | 111.8 | | |
| 35 | N | 40.8 | Very low | 40 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | | | trans | -49.5 | 135.7 | 160.8 | -89.1 | -96.8 | 0 | 0 | 0 | 112.1 | | |
| 36 | L | 41.6 | Very low | 39.8 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | | -174.8 | 107.9 | 110.7 | -134.5 | 66.5 | 0 | 0 | 0 | 109.5 | | |
| 37 | G | 37.4 | Very low | 40.3 | Very low | 62 Ų | 62 | 130.1 Ų | 130.1 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | | | trans | -77.2 | -177.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 38 | Q | 35.7 | Very low | 41.3 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | trans | 70.3 | 137.9 | 162.6 | -88.2 | 168.4 | -8.8 | 0 | 0 | 115.4 | | |
| 39 | T | 36 | Very low | 42.2 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | | | cis | -179.4 | 154.6 | -4.8 | 11.8 | 0 | 0 | 0 | 0 | 103.9 | | |
| 40 | V | 35.8 | Very low | 42.6 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | trans | 71.6 | 120.6 | 145.1 | 175.9 | 0 | 0 | 0 | 0 | 118 | | |
| 41 | S | 44.6 | Very low | 43.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | 36.4 | 109.3 | 138.9 | -179.4 | 0 | 0 | 0 | 0 | 118.2 | | |
| 42 | L | 39.9 | Very low | 43.5 | Very low | 172 Ų | 172 | 126 Ų | 126 | 90% | 0.901 | 76% | 0.761 | S | S | * | * | | | trans | -152.7 | 125.3 | 134.3 | -96.8 | 124.4 | 0 | 0 | 0 | 109 | | |
| 43 | A | 40.3 | Very low | 44.5 | Very low | 77 Ų | 77 | 130.7 Ų | 130.7 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | 2.5 | 154.1 | 160 | 0 | 0 | 0 | 0 | 0 | 120.2 | A45 | A43-A45 PolarHBondContact O-N 2.88Š|
| 44 | P | 42.5 | Very low | 45.6 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | | | trans | -55.3 | 111.9 | 163.5 | 26.8 | -32.4 | 0 | 0 | 0 | 107.7 | V46 | P44-V46 PolarHBondContact O-N 3.32Š|
| 45 | A | 45.3 | Very low | 46.2 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | -64.7 | 94.4 | 176 | 0 | 0 | 0 | 0 | 0 | 107.3 | A43 Q47 | A43-A45 PolarHBondContact O-N 2.88Å; A45-Q47 PolarHBondContact O-N 2.77Å |
| 46 | V | 47.5 | Very low | 47.1 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 72% | 0.715 | 75% | 0.746 | S | S | * | * | | | trans | 41.6 | 82 | 140.2 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | P44 A48 | P44-V46 PolarHBondContact O-N 3.32Å; V46-A48 HydrophobicContact CG1-CB 4.14Å; V46-A48 PolarHBondContact O-N 2.7Å |
| 47 | Q | 50.5 | Low | 47.6 | Very low | 190 Ų | 190 | 125.9 Ų | 125.9 | 89% | 0.888 | 74% | 0.741 | S | S | * | * | | | trans | -47.9 | 89.4 | 139.6 | -167.4 | 173.9 | 52.2 | 0 | 0 | 104.9 | A45 A49 | A45-Q47 PolarHBondContact O-N 2.77Å; Q47-A49 PolarHBondContact O-N 2.8Å |
| 48 | A | 51.6 | Low | 48.1 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | trans | -69.3 | 77.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 103.4 | V46 S50 | V46-A48 HydrophobicContact CG1-CB 4.14Å; V46-A48 PolarHBondContact O-N 2.7Å; A48-S50 PolarHBondContact O-N 2.71Å |
| 49 | A | 54.3 | Low | 49 | Very low | 57 Ų | 57 | 126.3 Ų | 126.3 | 47% | 0.471 | 74% | 0.744 | S | S | . | * | | | trans | -45.5 | 99.5 | 154.5 | 0 | 0 | 0 | 0 | 0 | 104.7 | Q47 M51 | Q47-A49 PolarHBondContact O-N 2.8Å; A49-M51 HydrophobicContact CB-CB 4.16Å; A49-M51 HydrophobicContact CB-CE 4.3Å; A49-M51 HydrophobicContact CB-CG 4.22Å; A49-M51 PolarHBondContact O-N 3.1Å |
| 50 | S | 50.7 | Low | 49.9 | Very low | 108 Ų | 108 | 125.5 Ų | 125.5 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | -69 | 52.4 | 147.5 | -159.9 | 0 | 0 | 0 | 0 | 107.4 | A48 L52 | A48-S50 PolarHBondContact O-N 2.71Å; S50-L52 PolarHBondContact O-N 2.84Å; S50-L52 VanDerWaalsContact O-N 3.1Å |
| 51 | M | 50.7 | Low | 50.2 | Low | 157 Ų | 157 | 127.1 Ų | 127.1 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | trans | -70 | 85.7 | 145.5 | -85.7 | -159.2 | -67.6 | 0 | 0 | 103.2 | A49 K53 | A49-M51 HydrophobicContact CB-CB 4.16Å; A49-M51 HydrophobicContact CB-CE 4.3Å; A49-M51 HydrophobicContact CB-CG 4.22Å; A49-M51 PolarHBondContact O-N 3.1Å; M51-K53 PolarHBondContact O-N 2.78Å |
| 52 | L | 53.7 | Low | 50.4 | Low | 154 Ų | 154 | 127.8 Ų | 127.8 | 81% | 0.806 | 74% | 0.74 | S | S | * | * | | | trans | -57.2 | 96.9 | 148.9 | -70.8 | 177 | 0 | 0 | 0 | 104.5 | S50 M54 | S50-L52 PolarHBondContact O-N 2.84Å; S50-L52 VanDerWaalsContact O-N 3.1Å; L52-M54 PolarHBondContact O-N 3.45Å |
| 53 | K | 52.7 | Low | 50.6 | Low | 168 Ų | 168 | 123.4 Ų | 123.4 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | | | trans | -47.8 | 98.1 | 167.8 | 173.2 | 171.9 | 145.5 | 73.5 | 0 | 105.5 | M51 E55 | M51-K53 PolarHBondContact O-N 2.78Å; K53-E55 VanDerWaalsContact C-N 3.27Å; K53-E55 IonicContact NZ-OE2 3.38Å; K53-E55 PolarHBondContact NZ-OE2 2.79Å; K53-E55 PolarHBondContact O-N 3.38Å |
| 54 | M | 60.8 | Low | 51.1 | Low | 181 Ų | 181 | 126.4 Ų | 126.4 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | | | trans | -71.4 | 99.5 | 170.6 | -161.1 | 172.2 | -163.2 | 0 | 0 | 104.1 | L52 | L52-M54 PolarHBondContact O-N 3.45Š|
| 55 | E | 58 | Low | 51.4 | Low | 109 Ų | 109 | 124.8 Ų | 124.8 | 51% | 0.509 | 74% | 0.744 | S | S | . | * | | | trans | -50.8 | 127.5 | 169.7 | -169.7 | 73.2 | 170 | 0 | 0 | 107.2 | K53 L57 | K53-E55 VanDerWaalsContact C-N 3.27Å; K53-E55 IonicContact NZ-OE2 3.38Å; K53-E55 PolarHBondContact NZ-OE2 2.79Å; K53-E55 PolarHBondContact O-N 3.38Å; E55-L57 HydrophobicContact CB-CG 4.43Å; E55-L57 HydrophobicContact CG-CD2 4.25Å; E55-L57 HydrophobicContact CG-CG 4.26Å; E55-L57 PolarHBondContact O-N 3.41Å |
| 56 | P | 58.3 | Low | 51.3 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | | | trans | -73.5 | 77.5 | 173 | 28.3 | -28.1 | 0 | 0 | 0 | 107.3 | N58 | P56-N58 PolarHBondContact O-N 2.8Š|
| 57 | L | 52.3 | Low | 51.3 | Low | 145 Ų | 145 | 125.6 Ų | 125.6 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | -67.3 | 96.6 | 164.6 | -69.4 | 175.5 | 0 | 0 | 0 | 106.2 | E55 S59 | E55-L57 HydrophobicContact CB-CG 4.43Å; E55-L57 HydrophobicContact CG-CD2 4.25Å; E55-L57 HydrophobicContact CG-CG 4.26Å; E55-L57 PolarHBondContact O-N 3.41Å; L57-S59 PolarHBondContact O-N 2.85Å |
| 58 | N | 48.9 | Very low | 51.1 | Low | 130 Ų | 130 | 121.1 Ų | 121.1 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | | | trans | -25.2 | 101.1 | 148.7 | -179.4 | -15.2 | 0 | 0 | 0 | 109.1 | P56 T60 | P56-N58 PolarHBondContact O-N 2.8Å; N58-T60 PolarHBondContact O-N 3.44Å; N58-T60 WeakPolarHBondContact OD1-CB 3.18Å; N58-T60 PolarHBondContact OD1-N 3.38Å; N58-T60 PolarHBondContact OD1-OG1 3.36Å |
| 59 | S | 55.1 | Low | 50.9 | Low | 124 Ų | 124 | 122.1 Ų | 122.1 | 87% | 0.867 | 75% | 0.746 | S | S | * | * | | | trans | -73.8 | 74.1 | 174.6 | -174.5 | 0 | 0 | 0 | 0 | 107.8 | L57 | L57-S59 PolarHBondContact O-N 2.85Š|
| 60 | T | 54.3 | Low | 50.5 | Low | 93 Ų | 93 | 124.6 Ų | 124.6 | 57% | 0.571 | 76% | 0.758 | S | S | * | * | | | trans | -120.5 | 88 | 163.2 | -58.8 | 0 | 0 | 0 | 0 | 106.1 | N58 | N58-T60 PolarHBondContact O-N 3.44Å; N58-T60 WeakPolarHBondContact OD1-CB 3.18Å; N58-T60 PolarHBondContact OD1-N 3.38Å; N58-T60 PolarHBondContact OD1-OG1 3.36Å |
| 61 | H | 42.2 | Very low | 50.1 | Low | 162 Ų | 162 | 127.6 Ų | 127.6 | 75% | 0.75 | 76% | 0.764 | S | S | * | * | | | trans | 168 | 119.4 | 130.6 | -94.5 | -71.8 | 0 | 0 | 0 | 109.5 | G63 | H61-G63 PolarHBondContact O-N 3.46Š|
| 62 | P | 49.1 | Very low | 49.6 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | | | trans | -65.7 | 116.3 | 159.1 | 28 | -27.9 | 0 | 0 | 0 | 106.8 | T64 | P62-T64 VanDerWaalsContact C-N 3.28Å; P62-T64 PolarHBondContact O-N 2.94Å |
| 63 | G | 43.6 | Very low | 49.2 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | | | trans | -64.6 | 87.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | H61 A65 | H61-G63 PolarHBondContact O-N 3.46Å; G63-A65 PolarHBondContact O-N 3.02Å |
| 64 | T | 51.4 | Low | 49 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | -73.9 | 95 | 155 | -61.9 | 0 | 0 | 0 | 0 | 107.5 | P62 | P62-T64 VanDerWaalsContact C-N 3.28Å; P62-T64 PolarHBondContact O-N 2.94Å |
| 65 | A | 49.1 | Very low | 48.7 | Very low | 95 Ų | 95 | 123.5 Ų | 123.5 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | 168.3 | 82.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 111 | G63 | G63-A65 PolarHBondContact O-N 3.02Š|
| 66 | A | 41.6 | Very low | 48.3 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | trans | -150.9 | 83.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | S68 | A66-S68 PolarHBondContact O-N 3.18Å; A66-S68 VanDerWaalsContact O-N 3.09Å |
| 67 | S | 48.2 | Very low | 48.1 | Very low | 134 Ų | 134 | 122.6 Ų | 122.6 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | | | trans | -66.3 | 97.3 | 161.4 | 167 | 0 | 0 | 0 | 0 | 108 | | |
| 68 | S | 46 | Very low | 48.2 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | trans | -134.2 | 108 | 155.8 | 59.4 | 0 | 0 | 0 | 0 | 106.9 | A66 P70 | A66-S68 PolarHBondContact O-N 3.18Å; A66-S68 VanDerWaalsContact O-N 3.09Å; S68-P70 WeakPolarHBondContact O-CD 3.14Å |
| 69 | S | 48.4 | Very low | 48.5 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | | | trans | -50.9 | 117.5 | 179.8 | 61.1 | 0 | 0 | 0 | 0 | 111 | | |
| 70 | P | 45.2 | Very low | 48.9 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | trans | -74.2 | 122.9 | 151.1 | 0.9 | 18.9 | 0 | 0 | 0 | 104.9 | S68 E72 | S68-P70 WeakPolarHBondContact O-CD 3.14Å; P70-E72 PolarHBondContact O-N 2.98Å |
| 71 | L | 41.7 | Very low | 49.3 | Very low | 171 Ų | 171 | 118.1 Ų | 118.1 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | | | trans | -48 | 112.7 | 163.7 | -80.2 | 168 | 0 | 0 | 0 | 107.4 | F73 | L71-F73 PolarHBondContact O-N 3.33Š|
| 72 | E | 41.1 | Very low | 50.4 | Low | 131 Ų | 131 | 114 Ų | 114 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | | | trans | -59 | 99.1 | 177.1 | -88.8 | -158.3 | 131.3 | 0 | 0 | 108.6 | P70 R74 | P70-E72 PolarHBondContact O-N 2.98Å; E72-R74 HydrophobicContact CB-CB 3.83Å; E72-R74 HydrophobicContact CG-CB 4.08Å; E72-R74 PolarHBondContact O-N 2.92Å; E72-R74 WeakPolarHBondContact OE1-CD 2.96Å; E72-R74 IonicContact OE1-CZ 3.53Å; E72-R74 IonicContact OE1-NE 3.69Å; E72-R74 IonicContact OE1-NH1 2.66Å; E72-R74 PolarHBondContact OE1-NH1 2.95Å; E72-R74 IonicContact OE2-NH1 3.94Å |
| 73 | F | 45.8 | Very low | 51.5 | Low | 202 Ų | 202 | 111.4 Ų | 111.4 | 89% | 0.886 | 75% | 0.751 | S | S | * | * | | | trans | -75.8 | 64.9 | 141.5 | -159.7 | -94.4 | 0 | 0 | 0 | 106.8 | L71 A75 | L71-F73 PolarHBondContact O-N 3.33Å; F73-A75 PolarHBondContact O-N 3.43Å |
| 74 | R | 47.3 | Very low | 53.1 | Low | 171 Ų | 171 | 112.3 Ų | 112.3 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | | | trans | -73.8 | 96.7 | 176.1 | -169.8 | -175.9 | -165.1 | 114.7 | -4.4 | 106.3 | E72 | E72-R74 HydrophobicContact CB-CB 3.83Å; E72-R74 HydrophobicContact CG-CB 4.08Å; E72-R74 PolarHBondContact O-N 2.92Å; E72-R74 WeakPolarHBondContact OE1-CD 2.96Å; E72-R74 IonicContact OE1-CZ 3.53Å; E72-R74 IonicContact OE1-NE 3.69Å; E72-R74 IonicContact OE1-NH1 2.66Å; E72-R74 PolarHBondContact OE1-NH1 2.95Å; E72-R74 IonicContact OE2-NH1 3.94Å |
| 75 | A | 55.3 | Low | 54.6 | Low | 70 Ų | 70 | 109.2 Ų | 109.2 | 58% | 0.579 | 71% | 0.713 | S | S | * | * | | | trans | -52 | 127.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | F73 G77 | F73-A75 PolarHBondContact O-N 3.43Å; A75-G77 PolarHBondContact O-N 3.48Å |
| 76 | P | 48.7 | Very low | 56.4 | Low | 133 Ų | 133 | 111.4 Ų | 111.4 | 86% | 0.864 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -77.4 | 94.7 | -174.7 | 31.3 | -31.1 | 0 | 0 | 0 | 108.1 | | |
| 77 | G | 55 | Low | 58.6 | Low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | | | trans | 155.9 | 92.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A75 | A75-G77 PolarHBondContact O-N 3.48Š|
| 78 | G | 54.4 | Low | 60.7 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 71% | 0.711 | 68% | 0.676 | S | S | * | * | | | trans | -164.8 | 61.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 79 | G | 55.1 | Low | 62.8 | Low | 72 Ų | 72 | 113.6 Ų | 113.6 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | | | trans | -60 | 146.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | G81 | G79-G81 PolarHBondContact O-N 2.87Š|
| 80 | N | 63.1 | Low | 64.9 | Low | 179 Ų | 179 | 114.1 Ų | 114.1 | 96% | 0.957 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -32.8 | 118.1 | 168 | -89 | 15.4 | 0 | 0 | 0 | 112.3 | | |
| 81 | G | 64.1 | Low | 67.2 | Low | 77 Ų | 77 | 111.6 Ų | 111.6 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.3 | -24.8 | 156 | 0 | 0 | 0 | 0 | 0 | 118 | G79 | G79-G81 PolarHBondContact O-N 2.87Š|
| 82 | N | 64.3 | Low | 69.8 | Low | 76 Ų | 76 | 108 Ų | 108 | 41% | 0.406 | 63% | 0.626 | S | S | . | * | | | trans | -142.2 | 33.3 | -162.7 | -130.3 | 13.1 | 0 | 0 | 0 | 115.7 | N84 E85 Y86 | N82-N84 PolarHBondContact O-N 2.99Å; N82-E85 HydrophobicContact CB-CG 4.44Å; N82-E85 WeakPolarHBondContact CB-OE1 3.47Å; N82-E85 VanDerWaalsContact CG-OE1 3.28Å; N82-E85 PolarHBondContact ND2-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE2 3.23Å; N82-E85 WeakPolarHBondContact O-CG 3.01Å; N82-E85 PolarHBondContact O-N 3.45Å; N82-Y86 VanDerWaalsContact O-CD2 3.25Å; N82-Y86 WeakPolarHBondContact O-CD2 3.23Å |
| 83 | G | 71.6 | Confident | 72.3 | Confident | 60 Ų | 60 | 107.7 Ų | 107.7 | 62% | 0.619 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -66.8 | -18.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F87 | G83-F87 PolarHBondContact O-N 2.92Å |
| 84 | N | 76.8 | Confident | 74.7 | Confident | 100 Ų | 100 | 100.8 Ų | 100.8 | 54% | 0.535 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.5 | -35.2 | 178.8 | 59.9 | -12.8 | 0 | 0 | 0 | 112.5 | N82 F87 Y88 | N82-N84 PolarHBondContact O-N 2.99Å; N84-F87 WeakPolarHBondContact O-CB 3.42Å; N84-F87 PolarHBondContact O-N 3.31Å; N84-Y88 HydrophobicContact CB-CE2 4.46Å; N84-Y88 WeakPolarHBondContact O-CD2 3.36Å; N84-Y88 PolarHBondContact O-N 3.33Å; N84-Y88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 83.9 | Confident | 77.1 | Confident | 75 Ų | 75 | 99.8 Ų | 99.8 | 35% | 0.35 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.2 | -44.1 | 177.7 | 87.4 | -171.9 | 155.7 | 0 | 0 | 111.4 | N82 F87 Y88 I89 | N82-E85 HydrophobicContact CB-CG 4.44Å; N82-E85 WeakPolarHBondContact CB-OE1 3.47Å; N82-E85 VanDerWaalsContact CG-OE1 3.28Å; N82-E85 PolarHBondContact ND2-OE1 3.49Å; N82-E85 PolarHBondContact ND2-OE2 3.23Å; N82-E85 WeakPolarHBondContact O-CG 3.01Å; N82-E85 PolarHBondContact O-N 3.45Å; E85-F87 PolarHBondContact O-N 2.76Å; E85-Y88 WeakPolarHBondContact O-CB 3.39Å; E85-Y88 PolarHBondContact O-N 2.78Å; E85-Y88 VanDerWaalsContact O-N 3.12Å; E85-I89 WeakPolarHBondContact O-CG1 3.26Å; E85-I89 PolarHBondContact O-N 2.97Å |
| 86 | Y | 86 | Confident | 79.1 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 55% | 0.553 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64 | -34.5 | 176.4 | -66.4 | -73.6 | 0 | 0 | 0 | 110.8 | N82 I89 L90 | N82-Y86 VanDerWaalsContact O-CD2 3.25Å; N82-Y86 WeakPolarHBondContact O-CD2 3.23Å; Y86-I89 HydrophobicContact CD1-CD1 4.35Å; Y86-I89 PolarHBondContact O-N 2.8Å; Y86-L90 WeakPolarHBondContact O-CB 3.26Å; Y86-L90 WeakPolarHBondContact O-CG 3.19Å; Y86-L90 PolarHBondContact O-N 2.75Å |
| 87 | F | 88 | Confident | 81.3 | Confident | 126 Ų | 126 | 98.4 Ų | 98.4 | 55% | 0.553 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63 | -42.9 | 173.4 | -175.1 | -100.4 | 0 | 0 | 0 | 112.1 | G83 N84 E85 I89 L90 V91 | G83-F87 PolarHBondContact O-N 2.92Å; N84-F87 WeakPolarHBondContact O-CB 3.42Å; N84-F87 PolarHBondContact O-N 3.31Å; E85-F87 PolarHBondContact O-N 2.76Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.82Å; F87-L90 PolarHBondContact O-N 2.75Å; F87-V91 HydrophobicContact CD1-CG2 4.08Å; F87-V91 HydrophobicContact CE1-CG2 3.67Å; F87-V91 HydrophobicContact CE2-CG2 4.22Å; F87-V91 HydrophobicContact CZ-CG2 3.75Å; F87-V91 VanDerWaalsContact O-CG2 3.28Å; F87-V91 WeakPolarHBondContact O-CG2 3.47Å; F87-V91 PolarHBondContact O-N 3.5Å |
| 88 | Y | 92.8 | Very high | 83.3 | Confident | 159 Ų | 159 | 100.3 Ų | 100.3 | 62% | 0.624 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.2 | -41 | 173.2 | -68.8 | -68.5 | 0 | 0 | 0 | 111.7 | N84 E85 V91 V92 | N84-Y88 HydrophobicContact CB-CE2 4.46Å; N84-Y88 WeakPolarHBondContact O-CD2 3.36Å; N84-Y88 PolarHBondContact O-N 3.33Å; N84-Y88 VanDerWaalsContact O-N 3.1Å; E85-Y88 WeakPolarHBondContact O-CB 3.39Å; E85-Y88 PolarHBondContact O-N 2.78Å; E85-Y88 VanDerWaalsContact O-N 3.12Å; Y88-V91 PolarHBondContact O-N 2.84Å; Y88-V92 WeakPolarHBondContact O-CB 3.33Å; Y88-V92 VanDerWaalsContact O-CG2 3.22Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 2.77Å |
| 89 | I | 90.8 | Very high | 85.3 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.7 | -44.8 | 176.1 | -63.1 | 164.9 | 0 | 0 | 0 | 110.7 | E85 Y86 F87 V91 V92 M93 | E85-I89 WeakPolarHBondContact O-CG1 3.26Å; E85-I89 PolarHBondContact O-N 2.97Å; Y86-I89 HydrophobicContact CD1-CD1 4.35Å; Y86-I89 PolarHBondContact O-N 2.8Å; F87-I89 VanDerWaalsContact C-N 3.31Å; F87-I89 PolarHBondContact O-N 2.82Å; I89-V91 PolarHBondContact O-N 3.47Å; I89-V92 PolarHBondContact O-N 2.93Å; I89-M93 HydrophobicContact CG2-CG 4.15Å; I89-M93 WeakPolarHBondContact O-CB 3.46Å; I89-M93 VanDerWaalsContact O-CG 3.22Å; I89-M93 WeakPolarHBondContact O-CG 3.27Å; I89-M93 PolarHBondContact O-N 3.49Å |
| 90 | L | 92.4 | Very high | 87.2 | Confident | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.7 | -42.5 | 177.7 | -71.3 | 173.4 | 0 | 0 | 0 | 111.9 | Y86 F87 S94 | Y86-L90 WeakPolarHBondContact O-CB 3.26Å; Y86-L90 WeakPolarHBondContact O-CG 3.19Å; Y86-L90 PolarHBondContact O-N 2.75Å; F87-L90 PolarHBondContact O-N 2.75Å; L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.44Å; L90-S94 PolarHBondContact O-OG 2.83Å |
| 91 | V | 94 | Very high | 88.7 | Confident | 56 Ų | 56 | 99.8 Ų | 99.8 | 34% | 0.339 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 177.5 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | F87 Y88 I89 S94 F95 | F87-V91 HydrophobicContact CD1-CG2 4.08Å; F87-V91 HydrophobicContact CE1-CG2 3.67Å; F87-V91 HydrophobicContact CE2-CG2 4.22Å; F87-V91 HydrophobicContact CZ-CG2 3.75Å; F87-V91 VanDerWaalsContact O-CG2 3.28Å; F87-V91 WeakPolarHBondContact O-CG2 3.47Å; F87-V91 PolarHBondContact O-N 3.5Å; Y88-V91 PolarHBondContact O-N 2.84Å; I89-V91 PolarHBondContact O-N 3.47Å; V91-S94 PolarHBondContact O-OG 2.75Å; V91-F95 HydrophobicContact CG1-CD2 4.22Å; V91-F95 WeakPolarHBondContact O-CB 3.39Å; V91-F95 PolarHBondContact O-N 2.98Å |
| 92 | V | 95.8 | Very high | 90.1 | Very high | 94 Ų | 94 | 98.1 Ų | 98.1 | 57% | 0.57 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | -179.3 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Y88 I89 F95 Y96 | Y88-V92 WeakPolarHBondContact O-CB 3.33Å; Y88-V92 VanDerWaalsContact O-CG2 3.22Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 2.77Å; I89-V92 PolarHBondContact O-N 2.93Å; V92-F95 PolarHBondContact O-N 2.81Å; V92-Y96 WeakPolarHBondContact O-CB 3.4Å; V92-Y96 PolarHBondContact O-N 3.14Å |
| 93 | M | 94.1 | Very high | 91.5 | Very high | 125 Ų | 125 | 98.1 Ų | 98.1 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -37.4 | -179.7 | -67.7 | -61.9 | 173.6 | 0 | 0 | 112.2 | I89 G97 | I89-M93 HydrophobicContact CG2-CG 4.15Å; I89-M93 WeakPolarHBondContact O-CB 3.46Å; I89-M93 VanDerWaalsContact O-CG 3.22Å; I89-M93 WeakPolarHBondContact O-CG 3.27Å; I89-M93 PolarHBondContact O-N 3.49Å; M93-G97 PolarHBondContact O-N 2.79Å |
| 94 | S | 95.8 | Very high | 92.4 | Very high | 57 Ų | 57 | 100.6 Ų | 100.6 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -44.2 | 176.2 | 60.5 | 0 | 0 | 0 | 0 | 112.3 | L90 V91 Y96 G97 I98 | L90-S94 WeakPolarHBondContact O-CB 3.42Å; L90-S94 PolarHBondContact O-N 3.44Å; L90-S94 PolarHBondContact O-OG 2.83Å; V91-S94 PolarHBondContact O-OG 2.75Å; S94-Y96 VanDerWaalsContact C-N 3.26Å; S94-Y96 PolarHBondContact O-N 3.05Å; S94-G97 PolarHBondContact O-N 2.84Å; S94-G97 VanDerWaalsContact O-N 3.17Å; S94-I98 WeakPolarHBondContact O-CB 3.17Å; S94-I98 VanDerWaalsContact O-CG1 3.27Å; S94-I98 WeakPolarHBondContact O-CG1 3.35Å; S94-I98 PolarHBondContact O-N 2.88Å |
| 95 | F | 97.3 | Very high | 93 | Very high | 151 Ų | 151 | 101.3 Ų | 101.3 | 66% | 0.662 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | 174.2 | -110.6 | -86.5 | 0 | 0 | 0 | 111.1 | V91 V92 F99 | V91-F95 HydrophobicContact CG1-CD2 4.22Å; V91-F95 WeakPolarHBondContact O-CB 3.39Å; V91-F95 PolarHBondContact O-N 2.98Å; V92-F95 PolarHBondContact O-N 2.81Å; F95-F99 WeakPolarHBondContact O-CB 3.27Å; F95-F99 PolarHBondContact O-N 3.01Å |
| 96 | Y | 96.4 | Very high | 93.3 | Very high | 148 Ų | 148 | 99.5 Ų | 99.5 | 58% | 0.58 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.9 | -47.7 | 174.7 | 179 | -106.5 | 0 | 0 | 0 | 111.7 | V92 S94 F99 L100 | V92-Y96 WeakPolarHBondContact O-CB 3.4Å; V92-Y96 PolarHBondContact O-N 3.14Å; S94-Y96 VanDerWaalsContact C-N 3.26Å; S94-Y96 PolarHBondContact O-N 3.05Å; Y96-F99 PolarHBondContact O-N 3.28Å; Y96-L100 HydrophobicContact CD1-CD1 4.09Å; Y96-L100 HydrophobicContact CE1-CD1 3.5Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.5Å; Y96-L100 HydrophobicContact CE1-CG 4.32Å; Y96-L100 HydrophobicContact CE2-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD2 4.39Å; Y96-L100 HydrophobicContact CE2-CG 4.25Å; Y96-L100 WeakPolarHBondContact O-CG 3.12Å; Y96-L100 PolarHBondContact O-N 3.34Å |
| 97 | G | 96.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 98.9 Ų | 98.9 | 26% | 0.258 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M93 S94 F99 L100 I101 | M93-G97 PolarHBondContact O-N 2.79Å; S94-G97 PolarHBondContact O-N 2.84Å; S94-G97 VanDerWaalsContact O-N 3.17Å; G97-F99 VanDerWaalsContact C-N 3.3Å; G97-F99 PolarHBondContact O-N 2.89Å; G97-L100 PolarHBondContact O-N 2.92Å; G97-I101 WeakPolarHBondContact O-CB 3.28Å; G97-I101 WeakPolarHBondContact O-CD1 3.46Å; G97-I101 VanDerWaalsContact O-CG1 3.29Å; G97-I101 WeakPolarHBondContact O-CG1 3.42Å; G97-I101 PolarHBondContact O-N 2.97Å |
| 98 | I | 96.4 | Very high | 92.9 | Very high | 114 Ų | 114 | 98.3 Ų | 98.3 | 59% | 0.585 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 178.6 | -63.8 | 164 | 0 | 0 | 0 | 110.5 | S94 I101 G102 | S94-I98 WeakPolarHBondContact O-CB 3.17Å; S94-I98 VanDerWaalsContact O-CG1 3.27Å; S94-I98 WeakPolarHBondContact O-CG1 3.35Å; S94-I98 PolarHBondContact O-N 2.88Å; I98-I101 PolarHBondContact O-N 2.82Å; I98-G102 WeakPolarHBondContact O-CA 3.27Å; I98-G102 PolarHBondContact O-N 2.91Å |
| 99 | F | 96.4 | Very high | 92 | Very high | 130 Ų | 130 | 97.5 Ų | 97.5 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.1 | -46.2 | 175.9 | -179.2 | -101.2 | 0 | 0 | 0 | 111.2 | F95 Y96 G97 I101 G102 I103 | F95-F99 WeakPolarHBondContact O-CB 3.27Å; F95-F99 PolarHBondContact O-N 3.01Å; Y96-F99 PolarHBondContact O-N 3.28Å; G97-F99 VanDerWaalsContact C-N 3.3Å; G97-F99 PolarHBondContact O-N 2.89Å; F99-I101 PolarHBondContact O-N 3.47Å; F99-G102 CarbonylContact O-C 3.59Å; F99-G102 PolarHBondContact O-N 3.38Å; F99-G102 VanDerWaalsContact O-N 3.14Å; F99-I103 HydrophobicContact CD1-CD1 4.42Å; F99-I103 HydrophobicContact CD1-CG2 4.37Å; F99-I103 HydrophobicContact CD2-CG2 4.37Å; F99-I103 HydrophobicContact CE1-CD1 4.13Å; F99-I103 HydrophobicContact CE1-CG2 3.99Å; F99-I103 HydrophobicContact CE2-CG2 3.98Å; F99-I103 HydrophobicContact CZ-CG2 3.78Å; F99-I103 WeakPolarHBondContact O-CG1 3.44Å; F99-I103 WeakPolarHBondContact O-CG2 3.49Å; F99-I103 PolarHBondContact O-N 3.48Å |
| 100 | L | 94.3 | Very high | 90.9 | Very high | 64 Ų | 64 | 97.7 Ų | 97.7 | 34% | 0.335 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 175.5 | -71.9 | -174.4 | 0 | 0 | 0 | 112.2 | Y96 G97 G102 I103 M104 | Y96-L100 HydrophobicContact CD1-CD1 4.09Å; Y96-L100 HydrophobicContact CE1-CD1 3.5Å; Y96-L100 VanDerWaalsContact CE1-CD1 3.5Å; Y96-L100 HydrophobicContact CE1-CG 4.32Å; Y96-L100 HydrophobicContact CE2-CD1 4.17Å; Y96-L100 HydrophobicContact CE2-CD2 4.39Å; Y96-L100 HydrophobicContact CE2-CG 4.25Å; Y96-L100 WeakPolarHBondContact O-CG 3.12Å; Y96-L100 PolarHBondContact O-N 3.34Å; G97-L100 PolarHBondContact O-N 2.92Å; L100-G102 VanDerWaalsContact C-N 3.31Å; L100-G102 PolarHBondContact O-N 3.37Å; L100-I103 HydrophobicContact CD2-CD1 3.92Å; L100-I103 VanDerWaalsContact O-CG1 3.27Å; L100-I103 WeakPolarHBondContact O-CG1 3.46Å; L100-M104 VanDerWaalsContact O-CB 3.24Å; L100-M104 WeakPolarHBondContact O-CB 3.48Å; L100-M104 VanDerWaalsContact O-CG 3.25Å; L100-M104 WeakPolarHBondContact O-CG 3.39Å; L100-M104 PolarHBondContact O-N 3.26Å |
| 101 | I | 94.6 | Very high | 89.5 | Confident | 115 Ų | 115 | 98.4 Ų | 98.4 | 59% | 0.59 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 174.9 | -68.6 | 156.9 | 0 | 0 | 0 | 110.4 | G97 I98 F99 M104 L105 | G97-I101 WeakPolarHBondContact O-CB 3.28Å; G97-I101 WeakPolarHBondContact O-CD1 3.46Å; G97-I101 VanDerWaalsContact O-CG1 3.29Å; G97-I101 WeakPolarHBondContact O-CG1 3.42Å; G97-I101 PolarHBondContact O-N 2.97Å; I98-I101 PolarHBondContact O-N 2.82Å; F99-I101 PolarHBondContact O-N 3.47Å; I101-M104 PolarHBondContact O-N 3.14Å; I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 PolarHBondContact O-N 2.84Å |
| 102 | G | 94.5 | Very high | 88 | Confident | 41 Ų | 41 | 102.1 Ų | 102.1 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67 | -44 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I98 F99 L100 G106 | I98-G102 WeakPolarHBondContact O-CA 3.27Å; I98-G102 PolarHBondContact O-N 2.91Å; F99-G102 CarbonylContact O-C 3.59Å; F99-G102 PolarHBondContact O-N 3.38Å; F99-G102 VanDerWaalsContact O-N 3.14Å; L100-G102 VanDerWaalsContact C-N 3.31Å; L100-G102 PolarHBondContact O-N 3.37Å; G102-G106 WeakPolarHBondContact O-CA 3.45Å; G102-G106 PolarHBondContact O-N 3.45Å |
| 103 | I | 93.7 | Very high | 86.1 | Confident | 77 Ų | 77 | 107.5 Ų | 107.5 | 40% | 0.395 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.4 | -34.9 | 175.4 | 67.3 | 179.7 | 0 | 0 | 0 | 111.4 | F99 L100 Y107 | F99-I103 HydrophobicContact CD1-CD1 4.42Å; F99-I103 HydrophobicContact CD1-CG2 4.37Å; F99-I103 HydrophobicContact CD2-CG2 4.37Å; F99-I103 HydrophobicContact CE1-CD1 4.13Å; F99-I103 HydrophobicContact CE1-CG2 3.99Å; F99-I103 HydrophobicContact CE2-CG2 3.98Å; F99-I103 HydrophobicContact CZ-CG2 3.78Å; F99-I103 WeakPolarHBondContact O-CG1 3.44Å; F99-I103 WeakPolarHBondContact O-CG2 3.49Å; F99-I103 PolarHBondContact O-N 3.48Å; L100-I103 HydrophobicContact CD2-CD1 3.92Å; L100-I103 VanDerWaalsContact O-CG1 3.27Å; L100-I103 WeakPolarHBondContact O-CG1 3.46Å; I103-Y107 WeakPolarHBondContact O-CB 3.07Å; I103-Y107 PolarHBondContact O-N 2.76Å |
| 104 | M | 90.4 | Very high | 84.4 | Confident | 111 Ų | 111 | 109 Ų | 109 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 173.1 | -78.9 | -72.8 | 99.9 | 0 | 0 | 111.7 | L100 I101 Y107 M108 | L100-M104 VanDerWaalsContact O-CB 3.24Å; L100-M104 WeakPolarHBondContact O-CB 3.48Å; L100-M104 VanDerWaalsContact O-CG 3.25Å; L100-M104 WeakPolarHBondContact O-CG 3.39Å; L100-M104 PolarHBondContact O-N 3.26Å; I101-M104 PolarHBondContact O-N 3.14Å; M104-Y107 PolarHBondContact O-N 3.49Å; M104-M108 WeakPolarHBondContact O-CB 3.49Å; M104-M108 VanDerWaalsContact O-CG 3.28Å; M104-M108 WeakPolarHBondContact O-CG 2.87Å; M104-M108 PolarHBondContact O-N 3.42Å |
| 105 | L | 88.9 | Confident | 82.5 | Confident | 115 Ų | 115 | 113 Ų | 113 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69 | -36.1 | 176.4 | -173.4 | 61 | 0 | 0 | 0 | 111.4 | I101 K109 | I101-L105 WeakPolarHBondContact O-CB 3.37Å; I101-L105 PolarHBondContact O-N 2.84Å; L105-K109 WeakPolarHBondContact O-CA 3.32Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 3.45Å |
| 106 | G | 90.6 | Very high | 80.5 | Confident | 37 Ų | 37 | 110 Ų | 110 | 38% | 0.381 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G102 K109 S110 | G102-G106 WeakPolarHBondContact O-CA 3.45Å; G102-G106 PolarHBondContact O-N 3.45Å; G106-K109 PolarHBondContact O-N 2.74Å; G106-S110 WeakPolarHBondContact O-CB 3.33Å; G106-S110 PolarHBondContact O-N 2.96Å |
| 107 | Y | 85 | Confident | 78.6 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 50% | 0.502 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -48.4 | 175.4 | 178.9 | -100.4 | 0 | 0 | 0 | 111.6 | I103 M104 K109 S110 K111 | I103-Y107 WeakPolarHBondContact O-CB 3.07Å; I103-Y107 PolarHBondContact O-N 2.76Å; M104-Y107 PolarHBondContact O-N 3.49Å; Y107-K109 VanDerWaalsContact C-N 3.35Å; Y107-K109 PolarHBondContact O-N 2.74Å; Y107-S110 PolarHBondContact O-N 2.84Å; Y107-K111 HydrophobicContact CE1-CD 3.67Å; Y107-K111 HydrophobicContact CE2-CD 4.42Å; Y107-K111 WeakPolarHBondContact O-CB 3.24Å; Y107-K111 PolarHBondContact O-N 2.98Å; Y107-K111 WeakPolarHBondContact OH-CD 3.34Å; Y107-K111 PolarHBondContact OH-NZ 3.17Å |
| 108 | M | 81.3 | Confident | 76.6 | Confident | 114 Ų | 114 | 108.6 Ų | 108.6 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -39.3 | 176.1 | -69.8 | -162.5 | 88.9 | 0 | 0 | 111.8 | M104 R112 | M104-M108 WeakPolarHBondContact O-CB 3.49Å; M104-M108 VanDerWaalsContact O-CG 3.28Å; M104-M108 WeakPolarHBondContact O-CG 2.87Å; M104-M108 PolarHBondContact O-N 3.42Å; M108-R112 WeakPolarHBondContact O-CB 3.29Å; M108-R112 PolarHBondContact O-N 3.39Å |
| 109 | K | 73.4 | Confident | 74.7 | Confident | 143 Ų | 143 | 108.2 Ų | 108.2 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -37.4 | 178.5 | -175.4 | 175.8 | 175.5 | 172.5 | 0 | 111.7 | L105 G106 Y107 | L105-K109 WeakPolarHBondContact O-CA 3.32Å; L105-K109 WeakPolarHBondContact O-CB 3.25Å; L105-K109 PolarHBondContact O-N 3.45Å; G106-K109 PolarHBondContact O-N 2.74Å; Y107-K109 VanDerWaalsContact C-N 3.35Å; Y107-K109 PolarHBondContact O-N 2.74Å |
| 110 | S | 66.3 | Low | 73 | Confident | 89 Ų | 89 | 107.6 Ų | 107.6 | 62% | 0.622 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.9 | -48.4 | 176.2 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | G106 Y107 R112 R113 | G106-S110 WeakPolarHBondContact O-CB 3.33Å; G106-S110 PolarHBondContact O-N 2.96Å; Y107-S110 PolarHBondContact O-N 2.84Å; S110-R112 VanDerWaalsContact C-N 3.33Å; S110-R112 PolarHBondContact O-N 2.89Å; S110-R113 PolarHBondContact O-N 3.5Å |
| 111 | K | 64.8 | Low | 71.3 | Confident | 132 Ų | 132 | 110.2 Ų | 110.2 | 57% | 0.574 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -72 | -20.4 | 179.3 | -165.9 | 173.4 | -173.5 | 179.1 | 0 | 114.1 | Y107 | Y107-K111 HydrophobicContact CE1-CD 3.67Å; Y107-K111 HydrophobicContact CE2-CD 4.42Å; Y107-K111 WeakPolarHBondContact O-CB 3.24Å; Y107-K111 PolarHBondContact O-N 2.98Å; Y107-K111 WeakPolarHBondContact OH-CD 3.34Å; Y107-K111 PolarHBondContact OH-NZ 3.17Å |
| 112 | R | 61 | Low | 69.6 | Low | 134 Ų | 134 | 110 Ų | 110 | 51% | 0.506 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100 | 9.8 | 179.6 | -159.7 | -177.7 | -176.7 | 167.1 | 3.3 | 113.1 | M108 S110 E114 K116 | M108-R112 WeakPolarHBondContact O-CB 3.29Å; M108-R112 PolarHBondContact O-N 3.39Å; S110-R112 VanDerWaalsContact C-N 3.33Å; S110-R112 PolarHBondContact O-N 2.89Å; R112-E114 VanDerWaalsContact C-N 3.28Å; R112-E114 PolarHBondContact O-N 2.9Å; R112-K116 HydrophobicContact CG-CG 4.26Å; R112-K116 WeakPolarHBondContact O-CD 3.19Å; R112-K116 VanDerWaalsContact O-CE 3.26Å; R112-K116 WeakPolarHBondContact O-CE 3.48Å; R112-K116 VanDerWaalsContact O-CG 3.23Å; R112-K116 WeakPolarHBondContact O-CG 3.48Å |
| 113 | R | 56.3 | Low | 67.9 | Low | 208 Ų | 208 | 114.4 Ų | 114.4 | 79% | 0.785 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -22.6 | -177.6 | -146.4 | 176.2 | -171.2 | -115.4 | 2.2 | 113.2 | S110 | S110-R113 PolarHBondContact O-N 3.5Š|
| 114 | E | 57.8 | Low | 66.4 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.724 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -13.6 | -178.8 | 37 | -152.6 | 145.1 | 0 | 0 | 114.6 | R112 | R112-E114 VanDerWaalsContact C-N 3.28Å; R112-E114 PolarHBondContact O-N 2.9Å |
| 115 | K | 56.2 | Low | 64.9 | Low | 141 Ų | 141 | 116.3 Ų | 116.3 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -98.7 | -7.8 | 177.6 | -60.9 | -176.8 | 179.9 | -174.5 | 0 | 115 | S118 L119 | K115-S118 WeakPolarHBondContact CA-OG 3.48Å; K115-S118 PolarHBondContact O-OG 2.93Å; K115-L119 WeakPolarHBondContact O-CB 3.37Å; K115-L119 PolarHBondContact O-N 2.92Å |
| 116 | K | 56.4 | Low | 63.5 | Low | 88 Ų | 88 | 114.6 Ų | 114.6 | 38% | 0.383 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.5 | -36 | -178.7 | -73.6 | 160 | -176.8 | 162.1 | 0 | 112.2 | R112 L120 | R112-K116 HydrophobicContact CG-CG 4.26Å; R112-K116 WeakPolarHBondContact O-CD 3.19Å; R112-K116 VanDerWaalsContact O-CE 3.26Å; R112-K116 WeakPolarHBondContact O-CE 3.48Å; R112-K116 VanDerWaalsContact O-CG 3.23Å; R112-K116 WeakPolarHBondContact O-CG 3.48Å; K116-L120 WeakPolarHBondContact O-CB 3.27Å; K116-L120 PolarHBondContact O-N 3.12Å |
| 117 | S | 55.8 | Low | 62 | Low | 79 Ų | 79 | 117.3 Ų | 117.3 | 55% | 0.552 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.9 | -41.4 | 170.4 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | L121 | S117-L121 VanDerWaalsContact O-CB 3.26Å; S117-L121 WeakPolarHBondContact O-CB 3.41Å; S117-L121 PolarHBondContact O-N 3.1Å |
| 118 | S | 54.2 | Low | 60.7 | Low | 65 Ų | 65 | 120.2 Ų | 120.2 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.3 | -39.1 | -179.8 | 72.4 | 0 | 0 | 0 | 0 | 113.5 | K115 L121 L122 | K115-S118 WeakPolarHBondContact CA-OG 3.48Å; K115-S118 PolarHBondContact O-OG 2.93Å; S118-L121 PolarHBondContact O-N 3.27Å; S118-L122 WeakPolarHBondContact O-CB 3.17Å; S118-L122 PolarHBondContact O-N 3.43Å |
| 119 | L | 57.6 | Low | 59.4 | Low | 107 Ų | 107 | 119.9 Ų | 119.9 | 56% | 0.56 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72.7 | -37 | 177.6 | -166.5 | 154.4 | 0 | 0 | 0 | 111.9 | K115 L121 L122 Y123 | K115-L119 WeakPolarHBondContact O-CB 3.37Å; K115-L119 PolarHBondContact O-N 2.92Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 2.99Å; L119-L122 PolarHBondContact O-N 3.39Å; L119-Y123 WeakPolarHBondContact O-CB 3.47Å; L119-Y123 PolarHBondContact O-N 2.7Å |
| 120 | L | 59.4 | Low | 58.5 | Low | 117 Ų | 117 | 120.7 Ų | 120.7 | 61% | 0.613 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.5 | -33.1 | 170 | -93.5 | 169.5 | 0 | 0 | 0 | 112.3 | K116 Y123 K124 | K116-L120 WeakPolarHBondContact O-CB 3.27Å; K116-L120 PolarHBondContact O-N 3.12Å; L120-Y123 PolarHBondContact O-N 2.98Å; L120-K124 WeakPolarHBondContact O-CB 3.22Å; L120-K124 PolarHBondContact O-N 3.19Å |
| 121 | L | 59 | Low | 58.1 | Low | 118 Ų | 118 | 118.4 Ų | 118.4 | 62% | 0.618 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.8 | -38.7 | 177.1 | -146.2 | 150 | 0 | 0 | 0 | 111.1 | S117 S118 L119 K124 D125 | S117-L121 VanDerWaalsContact O-CB 3.26Å; S117-L121 WeakPolarHBondContact O-CB 3.41Å; S117-L121 PolarHBondContact O-N 3.1Å; S118-L121 PolarHBondContact O-N 3.27Å; L119-L121 VanDerWaalsContact C-N 3.29Å; L119-L121 PolarHBondContact O-N 2.99Å; L121-K124 PolarHBondContact O-N 3.48Å; L121-D125 PolarHBondContact O-N 3.36Å |
| 122 | L | 60 | Low | 57.5 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 58% | 0.576 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 171.6 | -158 | 153.4 | 0 | 0 | 0 | 111.1 | S118 L119 K124 D125 E126 | S118-L122 WeakPolarHBondContact O-CB 3.17Å; S118-L122 PolarHBondContact O-N 3.43Å; L119-L122 PolarHBondContact O-N 3.39Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.98Å; L122-D125 PolarHBondContact O-N 3.4Å; L122-E126 HydrophobicContact CD2-CG 3.85Å; L122-E126 WeakPolarHBondContact O-CB 3.42Å; L122-E126 VanDerWaalsContact O-CG 3.27Å; L122-E126 WeakPolarHBondContact O-CG 3.22Å; L122-E126 PolarHBondContact O-N 3.24Å |
| 123 | Y | 57.1 | Low | 57.1 | Low | 135 Ų | 135 | 116.9 Ų | 116.9 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63 | -37.6 | 172.3 | -174.8 | -110.6 | 0 | 0 | 0 | 112.4 | L119 L120 D125 E126 E127 | L119-Y123 WeakPolarHBondContact O-CB 3.47Å; L119-Y123 PolarHBondContact O-N 2.7Å; L120-Y123 PolarHBondContact O-N 2.98Å; Y123-D125 VanDerWaalsContact C-N 3.32Å; Y123-D125 PolarHBondContact O-N 3.26Å; Y123-E126 PolarHBondContact O-N 3.28Å; Y123-E127 HydrophobicContact CD1-CG 4.32Å; Y123-E127 WeakPolarHBondContact CD1-OE1 3.48Å; Y123-E127 HydrophobicContact CE1-CG 4.1Å; Y123-E127 WeakPolarHBondContact CE1-OE1 3.28Å; Y123-E127 WeakPolarHBondContact O-CB 3.32Å; Y123-E127 VanDerWaalsContact O-CG 3.27Å; Y123-E127 WeakPolarHBondContact O-CG 2.94Å; Y123-E127 PolarHBondContact O-N 2.84Å |
| 124 | K | 62.3 | Low | 56.6 | Low | 129 Ų | 129 | 113.3 Ų | 113.3 | 56% | 0.561 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.3 | -23.9 | 176.3 | -157.5 | 168.9 | 84.1 | 76.3 | 0 | 113.3 | L120 L121 L122 | L120-K124 WeakPolarHBondContact O-CB 3.22Å; L120-K124 PolarHBondContact O-N 3.19Å; L121-K124 PolarHBondContact O-N 3.48Å; L122-K124 VanDerWaalsContact C-N 3.34Å; L122-K124 PolarHBondContact O-N 2.98Å |
| 125 | D | 60.2 | Low | 56.2 | Low | 98 Ų | 98 | 114.5 Ų | 114.5 | 52% | 0.524 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.1 | -42.8 | 172.2 | -159.2 | 33.4 | 0 | 0 | 0 | 110.7 | L121 L122 Y123 E127 R128 L129 | L121-D125 PolarHBondContact O-N 3.36Å; L122-D125 PolarHBondContact O-N 3.4Å; Y123-D125 VanDerWaalsContact C-N 3.32Å; Y123-D125 PolarHBondContact O-N 3.26Å; D125-E127 PolarHBondContact O-N 3.27Å; D125-R128 WeakPolarHBondContact O-CA 3.18Å; D125-R128 WeakPolarHBondContact O-CB 3.32Å; D125-R128 PolarHBondContact O-N 2.81Å; D125-L129 PolarHBondContact O-N 3.36Å |
| 126 | E | 59.6 | Low | 55.6 | Low | 79 Ų | 79 | 113 Ų | 113 | 37% | 0.369 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.2 | -47.1 | 169.3 | -75.1 | -86.8 | 153.2 | 0 | 0 | 111.2 | L122 Y123 R128 L129 W130 | L122-E126 HydrophobicContact CD2-CG 3.85Å; L122-E126 WeakPolarHBondContact O-CB 3.42Å; L122-E126 VanDerWaalsContact O-CG 3.27Å; L122-E126 WeakPolarHBondContact O-CG 3.22Å; L122-E126 PolarHBondContact O-N 3.24Å; Y123-E126 PolarHBondContact O-N 3.28Å; E126-R128 PolarHBondContact O-N 3.08Å; E126-R128 VanDerWaalsContact O-N 3.14Å; E126-L129 CarbonylContact O-C 3.54Å; E126-L129 WeakPolarHBondContact O-CA 3.22Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 2.77Å; E126-W130 WeakPolarHBondContact O-CB 3.35Å; E126-W130 PolarHBondContact O-N 3.2Å; E126-W130 PolarHBondContact OE2-NE1 3.2Å |
| 127 | E | 58.8 | Low | 55.1 | Low | 95 Ų | 95 | 116.9 Ų | 116.9 | 44% | 0.444 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.9 | -28.9 | 175 | -78.5 | 178.1 | 171.6 | 0 | 0 | 112.9 | Y123 D125 G131 | Y123-E127 HydrophobicContact CD1-CG 4.32Å; Y123-E127 WeakPolarHBondContact CD1-OE1 3.48Å; Y123-E127 HydrophobicContact CE1-CG 4.1Å; Y123-E127 WeakPolarHBondContact CE1-OE1 3.28Å; Y123-E127 WeakPolarHBondContact O-CB 3.32Å; Y123-E127 VanDerWaalsContact O-CG 3.27Å; Y123-E127 WeakPolarHBondContact O-CG 2.94Å; Y123-E127 PolarHBondContact O-N 2.84Å; D125-E127 PolarHBondContact O-N 3.27Å; E127-G131 WeakPolarHBondContact O-CA 3.2Å; E127-G131 PolarHBondContact O-N 3.21Å |
| 128 | R | 57.7 | Low | 55 | Low | 188 Ų | 188 | 118.1 Ų | 118.1 | 71% | 0.709 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -77.2 | -38.8 | 172.6 | -76.5 | -157.3 | 161.5 | -157.7 | -4.8 | 112.3 | D125 E126 G131 E132 | D125-R128 WeakPolarHBondContact O-CA 3.18Å; D125-R128 WeakPolarHBondContact O-CB 3.32Å; D125-R128 PolarHBondContact O-N 2.81Å; E126-R128 PolarHBondContact O-N 3.08Å; E126-R128 VanDerWaalsContact O-N 3.14Å; R128-G131 PolarHBondContact O-N 3.03Å; R128-E132 WeakPolarHBondContact O-CB 3.42Å; R128-E132 PolarHBondContact O-N 3.39Å |
| 129 | L | 54.3 | Low | 54.3 | Low | 107 Ų | 107 | 122 Ų | 122 | 56% | 0.56 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.7 | -41.3 | 172.1 | -77.9 | 144.2 | 0 | 0 | 0 | 111.8 | D125 E126 A133 | D125-L129 PolarHBondContact O-N 3.36Å; E126-L129 CarbonylContact O-C 3.54Å; E126-L129 WeakPolarHBondContact O-CA 3.22Å; E126-L129 WeakPolarHBondContact O-CB 3.45Å; E126-L129 PolarHBondContact O-N 2.77Å; L129-A133 PolarHBondContact O-N 2.68Å |
| 130 | W | 54.7 | Low | 53.7 | Low | 160 Ų | 160 | 123 Ų | 123 | 61% | 0.606 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.3 | -30.2 | 174.2 | -68.6 | 107.2 | 0 | 0 | 0 | 112.5 | E126 A133 M134 | E126-W130 WeakPolarHBondContact O-CB 3.35Å; E126-W130 PolarHBondContact O-N 3.2Å; E126-W130 PolarHBondContact OE2-NE1 3.2Å; W130-A133 PolarHBondContact O-N 3.09Å; W130-M134 WeakPolarHBondContact O-CA 3.45Å; W130-M134 WeakPolarHBondContact O-CB 3.25Å; W130-M134 PolarHBondContact O-N 3.29Å |
| 131 | G | 56.1 | Low | 52.7 | Low | 41 Ų | 41 | 122.8 Ų | 122.8 | 42% | 0.423 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.8 | -22.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E127 R128 | E127-G131 WeakPolarHBondContact O-CA 3.2Å; E127-G131 PolarHBondContact O-N 3.21Å; R128-G131 PolarHBondContact O-N 3.03Å |
| 132 | E | 53.4 | Low | 52.4 | Low | 154 Ų | 154 | 120.1 Ų | 120.1 | 72% | 0.72 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.9 | -37.8 | 168.1 | -164.1 | 97.3 | -162.6 | 0 | 0 | 110.2 | R128 | R128-E132 WeakPolarHBondContact O-CB 3.42Å; R128-E132 PolarHBondContact O-N 3.39Å |
| 133 | A | 52.2 | Low | 51.5 | Low | 80 Ų | 80 | 123.2 Ų | 123.2 | 66% | 0.661 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.1 | -27.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L129 W130 | L129-A133 PolarHBondContact O-N 2.68Å; W130-A133 PolarHBondContact O-N 3.09Å |
| 134 | M | 46.3 | Very low | 51.2 | Low | 134 Ų | 134 | 128.2 Ų | 128.2 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | | | trans | -103.1 | 70.4 | 173.9 | -70.3 | -83 | -169.2 | 0 | 0 | 109.8 | W130 P136 | W130-M134 WeakPolarHBondContact O-CA 3.45Å; W130-M134 WeakPolarHBondContact O-CB 3.25Å; W130-M134 PolarHBondContact O-N 3.29Å; M134-P136 WeakPolarHBondContact O-CD 3.15Å |
| 135 | K | 49.3 | Very low | 50.2 | Low | 180 Ų | 180 | 127.6 Ų | 127.6 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | | | trans | -84.4 | 103 | 149.7 | -79.5 | 171 | 177.6 | 167.4 | 0 | 108.5 | | |
| 136 | P | 43.8 | Very low | 49.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | trans | -110.7 | 132.8 | 133.2 | 24.5 | -12.3 | 0 | 0 | 0 | 109.3 | M134 | M134-P136 WeakPolarHBondContact O-CD 3.15Š|
| 137 | L | 45.7 | Very low | 49.2 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 72% | 0.718 | S | S | * | * | | | trans | -47.5 | 163.4 | 176.6 | -128.5 | 85.2 | 0 | 0 | 0 | 113.4 | | |
| 138 | P | 52.9 | Low | 48.6 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 73% | 0.731 | S | S | * | * | | | trans | -84.4 | 144.3 | -159.7 | 36.7 | -34.7 | 0 | 0 | 0 | 112.4 | | |
| 139 | V | 40.2 | Very low | 48.5 | Very low | 145 Ų | 145 | 129.9 Ų | 129.9 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | | | trans | -141.2 | 118.1 | 152.8 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 140 | V | 43.7 | Very low | 48.7 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | | | trans | -49.5 | 159 | 164.6 | 157.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 141 | S | 40 | Very low | 48.5 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | 100.1 | 111.5 | 163.2 | -144.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 142 | G | 51.4 | Low | 48.1 | Very low | 62 Ų | 62 | 135.6 Ų | 135.6 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | cis | 92.9 | 108.2 | 46.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 143 | L | 42.7 | Very low | 48 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | | | trans | 91.1 | 114.9 | 169.2 | -55.5 | 165.5 | 0 | 0 | 0 | 118.5 | | |
| 144 | R | 49 | Very low | 47.9 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | 64.6 | 98.8 | 145.2 | -164.6 | -167.8 | -90.8 | 162.2 | -8.7 | 117 | | |
| 145 | S | 42.2 | Very low | 48 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | | | trans | -130.9 | 87 | 153.1 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 146 | V | 51.1 | Low | 47.7 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | trans | -71.9 | 131.9 | 150.2 | 163.2 | 0 | 0 | 0 | 0 | 106.3 | | |
| 147 | Q | 48 | Very low | 47.7 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | 72.9 | 125 | -175.7 | -59.6 | 169.7 | 43.4 | 0 | 0 | 112.7 | | |
| 148 | V | 45.6 | Very low | 47.9 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.715 | 76% | 0.762 | S | S | * | * | | | cis | -155.8 | 140.1 | 49.6 | 175.4 | 0 | 0 | 0 | 0 | 109.2 | L150 | V148-L150 PolarHBondContact O-N 3.05Š|
| 149 | P | 55.4 | Low | 47.8 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 66% | 0.662 | 77% | 0.766 | S | S | * | * | | | trans | -72.3 | 105.6 | 172.4 | -12.9 | 28.2 | 0 | 0 | 0 | 111.9 | M151 | P149-M151 PolarHBondContact O-N 3.19Å; P149-M151 VanDerWaalsContact O-N 3.08Å |
| 150 | L | 59 | Low | 47.9 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 33.3 | 177.1 | -113.8 | 160 | 0 | 0 | 0 | 113.7 | V148 | V148-L150 PolarHBondContact O-N 3.05Š|
| 151 | M | 50.1 | Low | 48 | Very low | 150 Ų | 150 | 136 Ų | 136 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 3.9 | 178.8 | -72.1 | -89.2 | 82.8 | 0 | 0 | 114.4 | P149 N153 | P149-M151 PolarHBondContact O-N 3.19Å; P149-M151 VanDerWaalsContact O-N 3.08Å; M151-N153 VanDerWaalsContact C-N 3.32Å |
| 152 | L | 48.9 | Very low | 48.4 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -82.9 | -6.9 | 169.6 | -78.1 | 172.1 | 0 | 0 | 0 | 113.4 | | |
| 153 | N | 51.1 | Low | 48.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.3 | -177.9 | -99.4 | -35.8 | 0 | 0 | 0 | 115.6 | M151 | M151-N153 VanDerWaalsContact C-N 3.32Š|
| 154 | M | 48.5 | Very low | 48.1 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -13.4 | 179.1 | -81.1 | -77 | 175.2 | 0 | 0 | 114 | | |
| 155 | L | 49.5 | Very low | 47.6 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.9 | -14.5 | -178.6 | -147.9 | 137.6 | 0 | 0 | 0 | 112.9 | E157 | L155-E157 PolarHBondContact O-N 2.92Š|
| 156 | Q | 42.8 | Very low | 47.8 | Very low | 162 Ų | 162 | 131.5 Ų | 131.5 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 26.8 | 173.4 | -154.4 | -163.5 | -79.4 | 0 | 0 | 112.7 | | |
| 157 | E | 44 | Very low | 47.9 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 3 | 169.8 | -140.3 | 163.1 | 165.7 | 0 | 0 | 111.7 | L155 | L155-E157 PolarHBondContact O-N 2.92Š|
| 158 | S | 49 | Very low | 47.6 | Very low | 103 Ų | 103 | 130.2 Ų | 130.2 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -118.4 | 9.8 | -178.5 | -175.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 159 | V | 52.4 | Low | 47.6 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -133.9 | 80.9 | 169.3 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 160 | A | 40.6 | Very low | 47.4 | Very low | 87 Ų | 87 | 131.6 Ų | 131.6 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | | | trans | -141.8 | 102.7 | 146.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | A162 | A160-A162 PolarHBondContact O-N 2.87Š|
| 161 | P | 47.4 | Very low | 46.7 | Very low | 133 Ų | 133 | 131.8 Ų | 131.8 | 86% | 0.864 | 76% | 0.757 | S | S | * | * | | | trans | -74.7 | 91.5 | 171.5 | -8.8 | 25.3 | 0 | 0 | 0 | 108.9 | | |
| 162 | A | 46.9 | Very low | 46.5 | Very low | 81 Ų | 81 | 128 Ų | 128 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | -136.7 | 77.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A160 | A160-A162 PolarHBondContact O-N 2.87Š|
| 163 | L | 45.4 | Very low | 46.3 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | | | trans | -140.7 | 83.7 | 152.2 | -71.2 | -177 | 0 | 0 | 0 | 109 | | |
| 164 | S | 42.9 | Very low | 45.9 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -70.8 | 115.1 | 147.6 | 165 | 0 | 0 | 0 | 0 | 107.5 | | |
| 165 | C | 38.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -174.2 | 125.2 | 156.7 | -92.5 | 0 | 0 | 0 | 0 | 105.1 | | |
| 166 | T | 46.3 | Very low | 45.5 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | cis | -165.3 | 141 | 6.4 | -55.3 | 0 | 0 | 0 | 0 | 105.5 | C168 | T166-C168 PolarHBondContact O-N 3.22Å; T166-C168 VanDerWaalsContact O-N 3.17Å |
| 167 | L | 52.4 | Low | 45.4 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | -48.4 | 114.8 | 159.1 | -175.5 | 161.9 | 0 | 0 | 0 | 109.6 | | |
| 168 | C | 42.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | | | trans | -128.9 | 80.6 | 157.5 | -149.7 | 0 | 0 | 0 | 0 | 107.9 | T166 M170 | T166-C168 PolarHBondContact O-N 3.22Å; T166-C168 VanDerWaalsContact O-N 3.17Å; C168-M170 PolarHBondContact O-N 2.95Å |
| 169 | S | 45.3 | Very low | 45.2 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | -76.1 | 106.9 | 154.5 | -178.3 | 0 | 0 | 0 | 0 | 105.9 | | |
| 170 | M | 51.8 | Low | 44.8 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -147.4 | 95.6 | 169.4 | -155 | 151.6 | 149 | 0 | 0 | 106.3 | C168 | C168-M170 PolarHBondContact O-N 2.95Š|
| 171 | E | 43.4 | Very low | 45 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | 28.9 | 135.8 | 155.4 | -11 | 84.8 | 156.2 | 0 | 0 | 122.6 | | |
| 172 | G | 47 | Very low | 44.8 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | | 83.8 | 90.7 | 126.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 173 | D | 43.3 | Very low | 44.3 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | 11.6 | 109 | 135.9 | -161.6 | 34.9 | 0 | 0 | 0 | 117.1 | | |
| 174 | S | 44.6 | Very low | 44.2 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -160 | 122.4 | 154.1 | -78.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 175 | V | 46.3 | Very low | 44.1 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 76% | 0.758 | 76% | 0.763 | S | S | * | * | | | trans | -69.4 | 152 | 172 | -66.8 | 0 | 0 | 0 | 0 | 112 | | |
| 176 | S | 42.8 | Very low | 44.2 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | 74.3 | 125.8 | 168 | -46.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 177 | S | 40.3 | Very low | 44 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | | | | -169.3 | 139.2 | 56.7 | -75.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 178 | E | 51 | Low | 43.8 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | 9.2 | 139.5 | 134.5 | 46.2 | -175.9 | 70.9 | 0 | 0 | 120.6 | | |
| 179 | S | 38.3 | Very low | 43.9 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | trans | 121.1 | 137.1 | 163.2 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 180 | S | 43.3 | Very low | 44.2 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | | | cis | -177.1 | 149 | -7.9 | 163.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 181 | S | 45.6 | Very low | 44.2 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | | | trans | 78.4 | 126.4 | 160 | -154.5 | 0 | 0 | 0 | 0 | 118.5 | D183 | S181-D183 PolarHBondContact OG-N 2.66Š|
| 182 | P | 42.3 | Very low | 44 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | | -124.5 | 132.5 | 87.6 | 34.5 | -28.2 | 0 | 0 | 0 | 115.2 | | |
| 183 | D | 36.9 | Very low | 43.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -71.9 | 164.2 | 167.3 | -156.1 | -41.1 | 0 | 0 | 0 | 111.7 | S181 | S181-D183 PolarHBondContact OG-N 2.66Š|
| 184 | V | 42.4 | Very low | 43.2 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | 101.9 | 63.3 | 170.7 | -159.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 185 | H | 41.2 | Very low | 42.8 | Very low | 155 Ų | 155 | 136.3 Ų | 136.3 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | | 63.1 | 107.8 | 107.6 | -153.4 | -91.3 | 0 | 0 | 0 | 120.4 | | |
| 186 | L | 41.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | | | | -165.7 | 102.2 | 129.5 | -107.3 | 141.6 | 0 | 0 | 0 | 113.6 | | |
| 187 | T | 41.8 | Very low | 42.2 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | 66.5 | 102.6 | 148.8 | 53 | 0 | 0 | 0 | 0 | 121.4 | | |
| 188 | I | 48.2 | Very low | 41.8 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -73.4 | 144.2 | 161.4 | -67.2 | 155.8 | 0 | 0 | 0 | 111.1 | | |
| 189 | Q | 44.7 | Very low | 40.8 | Very low | 199 Ų | 199 | 141 Ų | 141 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | | | trans | -147 | 91.8 | 132.6 | -158.2 | -176.4 | 105.9 | 0 | 0 | 109.1 | | |
| 190 | E | 51.7 | Low | 40.3 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -121.9 | 120.2 | 156.6 | -178.3 | -170.1 | 120.3 | 0 | 0 | 105.1 | | |
| 191 | E | 50.1 | Low | 39.8 | Very low | 188 Ų | 188 | 139.4 Ų | 139.4 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | | | trans | -116.8 | 113.5 | 166.9 | 177.8 | -176.4 | 132.1 | 0 | 0 | 105.8 | | |
| 192 | G | 41 | Very low | 39.3 | Very low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | | | trans | -91.5 | 173.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 193 | A | 35.2 | Very low | 38.9 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | -176.1 | 131.3 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 194 | D | 37.2 | Very low | 39.1 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -63.7 | 162.1 | 169 | -78.8 | -59.5 | 0 | 0 | 0 | 113.7 | | |
| 195 | D | 36.3 | Very low | 39 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | 113 | 131 | 135.5 | -111.9 | -53 | 0 | 0 | 0 | 121.5 | | |
| 196 | E | 34.8 | Very low | 38.7 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 56.3 | 114.3 | 167 | -67.3 | -157.5 | 85.8 | 0 | 0 | 123.6 | | |
| 197 | L | 41.5 | Very low | 38.5 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | | 163.6 | 106.9 | 114.1 | -97.3 | 132.3 | 0 | 0 | 0 | 108.6 | | |
| 198 | E | 32.5 | Very low | 38.6 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | | 59.9 | 112.6 | 99.5 | -144.5 | -176.8 | 165.4 | 0 | 0 | 111 | | |
| 199 | E | 30.3 | Very low | 38.5 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | | 176.3 | 124.6 | 77 | -170.9 | -178.2 | 106.5 | 0 | 0 | 109.1 | | |
| 200 | T | 28.4 | Very low | 38.5 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | trans | 62.7 | 150.1 | 143.4 | 70.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 201 | S | 32.3 | Very low | 38.2 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | | | cis | -174 | 142.3 | 6.6 | -117.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 202 | E | 34.4 | Very low | 37.9 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 37.1 | 129.4 | 146.1 | 71.7 | -142.7 | 116.2 | 0 | 0 | 124.5 | | |
| 203 | T | 34.1 | Very low | 38.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | trans | -50.7 | 163.9 | 153.8 | 35.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 204 | P | 42 | Very low | 38.7 | Very low | 108 Ų | 108 | 136 Ų | 136 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | | -166 | 178.1 | 56.9 | 46.5 | -22.3 | 0 | 0 | 0 | 120.8 | | |
| 205 | L | 40.4 | Very low | 39 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 72.8 | 109.6 | 155.3 | -48.5 | -175.2 | 0 | 0 | 0 | 122.7 | | |
| 206 | N | 33.1 | Very low | 39.9 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | | | | -166.9 | 123.4 | 109.8 | 71.3 | 59.9 | 0 | 0 | 0 | 105.9 | | |
| 207 | E | 39.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | | | | 65 | 89.5 | 56.8 | 101.8 | -178.6 | 96.5 | 0 | 0 | 113.9 | | |
| 208 | S | 43.9 | Very low | 41.3 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | | | trans | 156.9 | 143 | 134.9 | -74 | 0 | 0 | 0 | 0 | 110.5 | | |
| 209 | S | 44.4 | Very low | 42.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | cis | -175.3 | 125.9 | -20.1 | 175.4 | 0 | 0 | 0 | 0 | 102.6 | G211 | S209-G211 PolarHBondContact O-N 3.04Š|
| 210 | E | 45.7 | Very low | 43.3 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -42.1 | 120.8 | 168.5 | 55.7 | -141.1 | 83.1 | 0 | 0 | 113.8 | S212 | E210-S212 PolarHBondContact O-N 3.17Š|
| 211 | G | 44.7 | Very low | 44 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 92% | 0.918 | 79% | 0.792 | S | S | * | * | | | trans | -74.6 | 108.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S209 | S209-G211 PolarHBondContact O-N 3.04Š|
| 212 | S | 44.8 | Very low | 44.7 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | | | trans | -137.6 | 118.6 | 172.9 | -172.1 | 0 | 0 | 0 | 0 | 112.4 | E210 | E210-S212 PolarHBondContact O-N 3.17Š|
| 213 | S | 46.5 | Very low | 45.2 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | trans | 58.5 | 105.7 | 151.8 | 59.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 214 | E | 47.1 | Very low | 45.9 | Very low | 189 Ų | 189 | 140.7 Ų | 140.7 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | | -17.6 | 123.2 | 128.8 | 46.3 | 168.4 | 152.5 | 0 | 0 | 116.6 | | |
| 215 | N | 42.4 | Very low | 46.1 | Very low | 137 Ų | 137 | 142.8 Ų | 142.8 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | | | trans | -166.2 | 111.4 | 147.8 | -160.1 | -71.1 | 0 | 0 | 0 | 113 | | |
| 216 | I | 54.7 | Low | 46.5 | Very low | 127 Ų | 127 | 142.2 Ų | 142.2 | 65% | 0.651 | 81% | 0.813 | S | S | * | * | | | trans | 57.9 | 102.9 | 144.5 | -50.4 | 174.2 | 0 | 0 | 0 | 119.4 | Q218 | I216-Q218 HydrophobicContact CG2-CG 4.44Å; I216-Q218 PolarHBondContact O-N 3.48Å |
| 217 | H | 52.2 | Low | 47.5 | Very low | 187 Ų | 187 | 141.9 Ų | 141.9 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -50.8 | 115.1 | 151.2 | -148.9 | -132 | 0 | 0 | 0 | 111.3 | | |
| 218 | Q | 53.2 | Low | 48.1 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | trans | -123.3 | 127.8 | 155.1 | -91.1 | -171.5 | 72.2 | 0 | 0 | 109.8 | I216 | I216-Q218 HydrophobicContact CG2-CG 4.44Å; I216-Q218 PolarHBondContact O-N 3.48Å |
| 219 | N | 53.4 | Low | 48.4 | Very low | 136 Ų | 136 | 142.3 Ų | 142.3 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | | | trans | -92.9 | 140.2 | -173.7 | 169.8 | 22.2 | 0 | 0 | 0 | 109.6 | | |
| 220 | S | 52.2 | Low | 48.8 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 100% | 1.273 | 83% | 0.829 | S | S | * | * | | | trans | 81.7 | 0 | 163.8 | -63.4 | 0 | 0 | 0 | 0 | 118.2 | | |