| 1 | M | 56.5 | Low | 52.9 | Low | 218 Ų | 218 | 143.7 Ų | 143.7 | 100% | 1.074 | 78% | 0.782 | S | S | * | * | | | | 0 | 113 | 0 | -71.9 | 178.7 | 170.9 | 0 | 0 | 106.3 | | |
| 2 | D | 48.2 | Very low | 52.7 | Low | 146 Ų | 146 | 144.3 Ų | 144.3 | 78% | 0.781 | 78% | 0.784 | S | S | * | * | | | | 53.5 | 126.2 | 114 | -42.5 | -6.4 | 0 | 0 | 0 | 116.2 | | |
| 3 | S | 53.4 | Low | 53 | Low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -162.3 | 158.3 | -0.4 | -80.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 4 | N | 51.9 | Low | 53.2 | Low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | 7.8 | 140.1 | 148.2 | -49.1 | -22.7 | 0 | 0 | 0 | 120 | | |
| 5 | L | 56.4 | Low | 53.5 | Low | 149 Ų | 149 | 147.1 Ų | 147.1 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | | | | -156.5 | 130.8 | 109.9 | -126.5 | 80.1 | 0 | 0 | 0 | 111.3 | | |
| 6 | D | 59 | Low | 53.4 | Low | 123 Ų | 123 | 148.2 Ų | 148.2 | 66% | 0.658 | 79% | 0.789 | S | S | * | * | | | trans | 45.9 | 121.6 | 151 | -46.6 | -21.1 | 0 | 0 | 0 | 119.8 | | |
| 7 | Q | 50.6 | Low | 53.6 | Low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | | 50.5 | 131.2 | 67.6 | -61.8 | -171.4 | 5.2 | 0 | 0 | 112.7 | | |
| 8 | S | 51.5 | Low | 53.3 | Low | 102 Ų | 102 | 149.9 Ų | 149.9 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | cis | -167.6 | -178.1 | -6.9 | 50.7 | 0 | 0 | 0 | 0 | 107 | | |
| 9 | E | 51.7 | Low | 53.3 | Low | 176 Ų | 176 | 148.7 Ų | 148.7 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | | | cis | -134.6 | -141.6 | 13.3 | -64.6 | -174.2 | 66.3 | 0 | 0 | 111.8 | | |
| 10 | N | 52.1 | Low | 53.2 | Low | 141 Ų | 141 | 146.7 Ų | 146.7 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | | | trans | -94.1 | 144.1 | -174.3 | -56.3 | -43.3 | 0 | 0 | 0 | 111.7 | | |
| 11 | S | 50.3 | Low | 53 | Low | 99 Ų | 99 | 148.4 Ų | 148.4 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | | | | 69.9 | 140.8 | 101.6 | 93 | 0 | 0 | 0 | 0 | 114.3 | | |
| 12 | D | 51.3 | Low | 52.5 | Low | 150 Ų | 150 | 145 Ų | 145 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | cis | -136.3 | 167.3 | 38.7 | -69.3 | -45.2 | 0 | 0 | 0 | 114.9 | | |
| 13 | I | 56.5 | Low | 52.6 | Low | 151 Ų | 151 | 143.9 Ų | 143.9 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | | | trans | -94.8 | 120.7 | -179.1 | -67.1 | 164.6 | 0 | 0 | 0 | 109.4 | N15 | I13-N15 PolarHBondContact O-N 3.09Š|
| 14 | E | 55.7 | Low | 52.4 | Low | 191 Ų | 191 | 145.5 Ų | 145.5 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | trans | -70.1 | 92.4 | 167.7 | -71.5 | -171.6 | 154.9 | 0 | 0 | 110.1 | | |
| 15 | N | 57.4 | Low | 52.2 | Low | 134 Ų | 134 | 146.5 Ų | 146.5 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | | | trans | -79.6 | 122.2 | 170 | -116.1 | 0.8 | 0 | 0 | 0 | 109.6 | I13 D17 | I13-N15 PolarHBondContact O-N 3.09Å; N15-D17 PolarHBondContact O-N 3.37Å |
| 16 | I | 52.1 | Low | 51.6 | Low | 164 Ų | 164 | 147.3 Ų | 147.3 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | | | trans | -83.1 | 91.9 | 176.8 | -58.6 | 171.1 | 0 | 0 | 0 | 107.9 | | |
| 17 | D | 56.3 | Low | 51 | Low | 142 Ų | 142 | 147.8 Ų | 147.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 126.4 | 171.5 | -87.2 | -34.8 | 0 | 0 | 0 | 111.1 | N15 | N15-D17 PolarHBondContact O-N 3.37Š|
| 18 | E | 48.9 | Very low | 50.8 | Low | 186 Ų | 186 | 143.6 Ų | 143.6 | 87% | 0.869 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 130.8 | 176.8 | -67.9 | -178.9 | 125.1 | 0 | 0 | 111.3 | P20 | E18-P20 VanDerWaalsContact O-CD 3.29Å; E18-P20 WeakPolarHBondContact O-CD 3.5Å |
| 19 | V | 53.8 | Low | 50.4 | Low | 126 Ų | 126 | 143.6 Ų | 143.6 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 118.7 | 178 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | E21 | V19-E21 PolarHBondContact O-N 3.39Š|
| 20 | P | 51.5 | Low | 50.2 | Low | 109 Ų | 109 | 142.2 Ų | 142.2 | 71% | 0.708 | 73% | 0.731 | S | S | * | * | | | trans | -85.1 | 102 | 169.9 | 32.1 | -28.7 | 0 | 0 | 0 | 110.2 | E18 H22 | E18-P20 VanDerWaalsContact O-CD 3.29Å; E18-P20 WeakPolarHBondContact O-CD 3.5Å; P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.06Å |
| 21 | E | 48.7 | Very low | 49.8 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | | | trans | -67.1 | 85.4 | 169.9 | -72.3 | -168.9 | 148.8 | 0 | 0 | 111.2 | V19 | V19-E21 PolarHBondContact O-N 3.39Š|
| 22 | H | 44.6 | Very low | 49.3 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | | | trans | -145.1 | 119.5 | 177.2 | -100.4 | -60.5 | 0 | 0 | 0 | 114.7 | P20 | P20-H22 VanDerWaalsContact C-N 3.33Å; P20-H22 PolarHBondContact O-N 3.06Å |
| 23 | N | 50.6 | Low | 48.9 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | | | trans | 90 | 13.7 | 140.1 | -50.8 | -25.7 | 0 | 0 | 0 | 122.2 | E25 | N23-E25 PolarHBondContact O-N 3.19Š|
| 24 | N | 50.2 | Low | 48.1 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -2.5 | -179.5 | -86.5 | -2.8 | 0 | 0 | 0 | 117.6 | | |
| 25 | E | 46.7 | Very low | 47.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -8.4 | -179.5 | -66 | -166.5 | 153.1 | 0 | 0 | 115.1 | N23 | N23-E25 PolarHBondContact O-N 3.19Š|
| 26 | F | 44.2 | Very low | 46.2 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -15.8 | -177.3 | -84.4 | -83.9 | 0 | 0 | 0 | 115.3 | | |
| 27 | E | 46.2 | Very low | 45.7 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -34.5 | 178.4 | -68.6 | -160.4 | 129.9 | 0 | 0 | 113.2 | L29 K30 V31 | E27-L29 PolarHBondContact O-N 3.48Å; E27-K30 PolarHBondContact O-N 3.34Å; E27-V31 PolarHBondContact O-N 2.86Å |
| 28 | T | 47.7 | Very low | 45.1 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -60.8 | -27.2 | 174.2 | 41 | 0 | 0 | 0 | 0 | 113 | | |
| 29 | L | 42 | Very low | 45 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 53% | 0.529 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -80 | -19.2 | 173.4 | -71.7 | 173.6 | 0 | 0 | 0 | 114.3 | E27 Q33 | E27-L29 PolarHBondContact O-N 3.48Å; L29-Q33 WeakPolarHBondContact O-CG 3.43Å |
| 30 | K | 47.2 | Very low | 44.3 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.2 | -40.1 | 172.3 | -84.7 | -178.6 | 174.1 | 175.3 | 0 | 111.9 | E27 L32 Q33 | E27-K30 PolarHBondContact O-N 3.34Å; K30-L32 PolarHBondContact O-N 3.2Å; K30-Q33 PolarHBondContact O-N 3.1Å; K30-Q33 VanDerWaalsContact O-N 3.14Å |
| 31 | V | 43.8 | Very low | 43.7 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64.4 | -27 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 112.2 | E27 | E27-V31 PolarHBondContact O-N 2.86Å |
| 32 | L | 39.5 | Very low | 43.3 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.6 | 176.4 | -92 | 161.6 | 0 | 0 | 0 | 115.3 | K30 | K30-L32 PolarHBondContact O-N 3.2Š|
| 33 | Q | 43 | Very low | 43.1 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 1.2 | -177.9 | -77.2 | -177.7 | 21.9 | 0 | 0 | 114.4 | L29 K30 | L29-Q33 WeakPolarHBondContact O-CG 3.43Å; K30-Q33 PolarHBondContact O-N 3.1Å; K30-Q33 VanDerWaalsContact O-N 3.14Å |
| 34 | Q | 41 | Very low | 42.6 | Very low | 171 Ų | 171 | 137 Ų | 137 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -111 | 10.7 | -163.3 | -139.8 | 163.2 | 0.6 | 0 | 0 | 115.5 | | |
| 35 | T | 37.8 | Very low | 42.2 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 67% | 0.669 | 69% | 0.691 | S | S | * | * | | | trans | -132 | 25.1 | -172.2 | 35.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 36 | F | 34.9 | Very low | 41.9 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 64% | 0.64 | 68% | 0.68 | S | S | * | * | | | trans | -115.8 | 94.8 | 172 | -71.5 | -67.9 | 0 | 0 | 0 | 112.4 | L41 | F36-L41 HydrophobicContact CD1-CD1 3.41Å; F36-L41 VanDerWaalsContact CD1-CD1 3.41Å; F36-L41 HydrophobicContact CD1-CG 4.29Å; F36-L41 HydrophobicContact CE1-CD1 3.69Å; F36-L41 HydrophobicContact CG-CD1 4.23Å |
| 37 | T | 41 | Very low | 42 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 56% | 0.564 | 68% | 0.677 | S | S | * | * | | | trans | -66.2 | 137.8 | 164.3 | 39.5 | 0 | 0 | 0 | 0 | 109.9 | E39 | T37-E39 PolarHBondContact O-N 2.96Š|
| 38 | P | 43.9 | Very low | 41.9 | Very low | 124 Ų | 124 | 131.1 Ų | 131.1 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -6.8 | -168.3 | -22.6 | 35 | 0 | 0 | 0 | 116.8 | | |
| 39 | E | 45.9 | Very low | 41.6 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -18.2 | -170 | -71 | -176.2 | 118.9 | 0 | 0 | 114.7 | T37 | T37-E39 PolarHBondContact O-N 2.96Š|
| 40 | E | 39.5 | Very low | 41.6 | Very low | 169 Ų | 169 | 134.3 Ų | 134.3 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -96.9 | -5.5 | -168 | -136.4 | 171.9 | -178.8 | 0 | 0 | 115 | | |
| 41 | L | 39.8 | Very low | 41.6 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 63% | 0.628 | 69% | 0.691 | S | S | * | * | | | trans | -110.1 | 30.2 | -174.3 | -80.3 | -179.2 | 0 | 0 | 0 | 115.2 | F36 P43 | F36-L41 HydrophobicContact CD1-CD1 3.41Å; F36-L41 VanDerWaalsContact CD1-CD1 3.41Å; F36-L41 HydrophobicContact CD1-CG 4.29Å; F36-L41 HydrophobicContact CE1-CD1 3.69Å; F36-L41 HydrophobicContact CG-CD1 4.23Å; L41-P43 WeakPolarHBondContact O-CD 3.18Å |
| 42 | I | 40.7 | Very low | 41.4 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 62% | 0.621 | 68% | 0.683 | S | S | * | * | | | trans | -96.5 | 93 | 171.3 | -53.7 | -179 | 0 | 0 | 0 | 109.8 | Q44 | I42-Q44 PolarHBondContact O-N 3.2Š|
| 43 | P | 39.2 | Very low | 41.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 67% | 0.672 | S | S | * | * | | | trans | -59.5 | 126.5 | 168.7 | 25.7 | -33.8 | 0 | 0 | 0 | 108.6 | L41 K45 | L41-P43 WeakPolarHBondContact O-CD 3.18Å; P43-K45 WeakPolarHBondContact O-CG 3.5Å; P43-K45 PolarHBondContact O-N 3.16Å |
| 44 | Q | 41.1 | Very low | 41.6 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 93% | 0.925 | 66% | 0.663 | S | S | * | * | | | trans | -53.5 | 96 | -170.5 | -159 | -177.8 | 39.1 | 0 | 0 | 110.9 | I42 S46 | I42-Q44 PolarHBondContact O-N 3.2Å; Q44-S46 PolarHBondContact O-N 3.19Å; Q44-S46 VanDerWaalsContact O-N 3.11Å |
| 45 | K | 41.1 | Very low | 41.8 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | | | trans | -63 | 118.9 | -166.3 | -69 | -177 | -178 | 172.5 | 0 | 110.4 | P43 H49 | P43-K45 WeakPolarHBondContact O-CG 3.5Å; P43-K45 PolarHBondContact O-N 3.16Å; K45-H49 HydrophobicContact CB-CB 4.2Å |
| 46 | S | 40.1 | Very low | 42.3 | Very low | 78 Ų | 78 | 129.2 Ų | 129.2 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | | | trans | -48.6 | 147.5 | -179.2 | 70 | 0 | 0 | 0 | 0 | 112.4 | Q44 K48 H49 | Q44-S46 PolarHBondContact O-N 3.19Å; Q44-S46 VanDerWaalsContact O-N 3.11Å; S46-K48 PolarHBondContact O-N 3.34Å; S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 3.28Å |
| 47 | S | 47.4 | Very low | 42.6 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -55.6 | -19.3 | -173 | 61.2 | 0 | 0 | 0 | 0 | 115 | H49 | S47-H49 VanDerWaalsContact C-N 3.34Å |
| 48 | K | 43.9 | Very low | 42.8 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.2 | -34.2 | 172.3 | -62.5 | 179.9 | -177.4 | 176 | 0 | 112.4 | S46 R51 | S46-K48 PolarHBondContact O-N 3.34Å; K48-R51 PolarHBondContact O-N 2.85Å |
| 49 | H | 40.1 | Very low | 42.6 | Very low | 99 Ų | 99 | 125 Ų | 125 | 46% | 0.458 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -73.7 | -35.2 | -176.5 | -133.7 | -52.9 | 0 | 0 | 0 | 113.1 | K45 S46 S47 R51 Y52 I53 | K45-H49 HydrophobicContact CB-CB 4.2Å; S46-H49 WeakPolarHBondContact O-CB 3.46Å; S46-H49 PolarHBondContact O-N 3.28Å; S47-H49 VanDerWaalsContact C-N 3.34Å; H49-R51 VanDerWaalsContact C-N 3.3Å; H49-R51 PolarHBondContact O-N 2.99Å; H49-Y52 PolarHBondContact O-N 3.41Å; H49-I53 PolarHBondContact O-N 2.84Å |
| 50 | K | 41.5 | Very low | 42.4 | Very low | 162 Ų | 162 | 120.7 Ų | 120.7 | 70% | 0.704 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60 | -36.9 | 174.1 | -93.8 | -173.9 | 173.4 | -179.7 | 0 | 112.4 | Y52 N54 | K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.2Å; K50-N54 PolarHBondContact O-N 3.36Å |
| 51 | R | 48 | Very low | 42.7 | Very low | 201 Ų | 201 | 117 Ų | 117 | 76% | 0.758 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.7 | -32.9 | 178.6 | -64.4 | -173.1 | -172.7 | 179.6 | 2.9 | 113 | K48 H49 W55 | K48-R51 PolarHBondContact O-N 2.85Å; H49-R51 VanDerWaalsContact C-N 3.3Å; H49-R51 PolarHBondContact O-N 2.99Å; R51-W55 PolarHBondContact O-N 3.43Å |
| 52 | Y | 40 | Very low | 42.9 | Very low | 134 Ų | 134 | 116.6 Ų | 116.6 | 53% | 0.525 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -78.7 | -39.3 | -176.4 | -141.4 | -86.3 | 0 | 0 | 0 | 112.2 | H49 K50 W55 I56 | H49-Y52 PolarHBondContact O-N 3.41Å; K50-Y52 VanDerWaalsContact C-N 3.33Å; K50-Y52 PolarHBondContact O-N 3.2Å; Y52-W55 HydrophobicContact CE1-CE3 4.47Å; Y52-W55 WeakPolarHBondContact O-CB 3.34Å; Y52-W55 PolarHBondContact O-N 2.86Å; Y52-W55 VanDerWaalsContact O-N 3.15Å; Y52-I56 HydrophobicContact CD1-CD1 3.85Å; Y52-I56 HydrophobicContact CD1-CG1 4.33Å; Y52-I56 HydrophobicContact CE1-CD1 4.13Å; Y52-I56 PolarHBondContact O-N 2.9Å; Y52-I56 VanDerWaalsContact O-N 3.08Å |
| 53 | I | 42.5 | Very low | 43.5 | Very low | 79 Ų | 79 | 112.4 Ų | 112.4 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.2 | -47.5 | 176.4 | -64.4 | 168.9 | 0 | 0 | 0 | 110.2 | H49 W55 I56 C57 | H49-I53 PolarHBondContact O-N 2.84Å; I53-W55 PolarHBondContact O-N 3.21Å; I53-I56 PolarHBondContact O-N 2.7Å; I53-I56 VanDerWaalsContact O-N 3.16Å; I53-C57 PolarHBondContact O-N 3.01Å; I53-C57 PolarHBondContact O-SG 2.95Å; I53-C57 VanDerWaalsContact O-SG 3.38Å |
| 54 | N | 43.4 | Very low | 44.2 | Very low | 106 Ų | 106 | 112.4 Ų | 112.4 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.1 | -24.5 | 175.1 | -74 | 16 | 0 | 0 | 0 | 113.4 | K50 N58 | K50-N54 PolarHBondContact O-N 3.36Å; N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 2.97Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 2.85Å |
| 55 | W | 46.4 | Very low | 45 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 41% | 0.409 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -77.6 | -37.7 | 176 | -168.7 | 58 | 0 | 0 | 0 | 112.2 | R51 Y52 I53 C59 | R51-W55 PolarHBondContact O-N 3.43Å; Y52-W55 HydrophobicContact CE1-CE3 4.47Å; Y52-W55 WeakPolarHBondContact O-CB 3.34Å; Y52-W55 PolarHBondContact O-N 2.86Å; Y52-W55 VanDerWaalsContact O-N 3.15Å; I53-W55 PolarHBondContact O-N 3.21Å; W55-C59 PolarHBondContact O-SG 2.65Å |
| 56 | I | 47.2 | Very low | 45.8 | Very low | 89 Ų | 89 | 109.3 Ų | 109.3 | 46% | 0.456 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.6 | -47.4 | 174.1 | -66 | 170 | 0 | 0 | 0 | 110.5 | Y52 I53 N58 C59 | Y52-I56 HydrophobicContact CD1-CD1 3.85Å; Y52-I56 HydrophobicContact CD1-CG1 4.33Å; Y52-I56 HydrophobicContact CE1-CD1 4.13Å; Y52-I56 PolarHBondContact O-N 2.9Å; Y52-I56 VanDerWaalsContact O-N 3.08Å; I53-I56 PolarHBondContact O-N 2.7Å; I53-I56 VanDerWaalsContact O-N 3.16Å; I56-N58 VanDerWaalsContact C-N 3.28Å; I56-N58 PolarHBondContact O-N 3.19Å; I56-C59 WeakPolarHBondContact O-CB 3.48Å; I56-C59 PolarHBondContact O-N 3.47Å; I56-C59 VanDerWaalsContact O-N 3.08Å |
| 57 | C | 42.7 | Very low | 46.5 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 57% | 0.574 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.6 | -27.3 | -178.7 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | I53 C59 | I53-C57 PolarHBondContact O-N 3.01Å; I53-C57 PolarHBondContact O-SG 2.95Å; I53-C57 VanDerWaalsContact O-SG 3.38Å; C57-C59 VanDerWaalsContact C-N 3.26Å; C57-C59 PolarHBondContact O-N 3.23Å |
| 58 | N | 44.3 | Very low | 47 | Very low | 120 Ų | 120 | 110.1 Ų | 110.1 | 64% | 0.642 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7.8 | 175.5 | -70 | -7 | 0 | 0 | 0 | 113.5 | N54 I56 D60 | N54-N58 VanDerWaalsContact O-CB 3.28Å; N54-N58 WeakPolarHBondContact O-CB 2.97Å; N54-N58 PolarHBondContact O-N 3.16Å; N54-N58 PolarHBondContact O-ND2 2.85Å; I56-N58 VanDerWaalsContact C-N 3.28Å; I56-N58 PolarHBondContact O-N 3.19Å; N58-D60 VanDerWaalsContact C-N 3.28Å; N58-D60 PolarHBondContact O-N 2.74Å; N58-D60 VanDerWaalsContact O-N 3.13Å |
| 59 | C | 40.5 | Very low | 47.9 | Very low | 67 Ų | 67 | 108.2 Ų | 108.2 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | | | trans | -84.7 | 68.1 | 173.5 | -75.2 | 0 | 0 | 0 | 0 | 111.8 | W55 I56 C57 G61 I63 | W55-C59 PolarHBondContact O-SG 2.65Å; I56-C59 WeakPolarHBondContact O-CB 3.48Å; I56-C59 PolarHBondContact O-N 3.47Å; I56-C59 VanDerWaalsContact O-N 3.08Å; C57-C59 VanDerWaalsContact C-N 3.26Å; C57-C59 PolarHBondContact O-N 3.23Å; C59-G61 PolarHBondContact O-N 2.88Å; C59-I63 HydrophobicContact CB-CD1 4.43Å |
| 60 | D | 40.4 | Very low | 48.7 | Very low | 92 Ų | 92 | 110.6 Ų | 110.6 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | | | trans | -44.5 | 136.6 | 169.2 | -70 | -44 | 0 | 0 | 0 | 111 | N58 T62 I63 | N58-D60 VanDerWaalsContact C-N 3.28Å; N58-D60 PolarHBondContact O-N 2.74Å; N58-D60 VanDerWaalsContact O-N 3.13Å; D60-T62 PolarHBondContact O-N 3.01Å; D60-I63 HydrophobicContact CB-CG1 4.33Å; D60-I63 WeakPolarHBondContact O-CB 3.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.24Å; D60-I63 PolarHBondContact O-N 3.01Å |
| 61 | G | 46.2 | Very low | 49.5 | Very low | 91 Ų | 91 | 106.8 Ų | 106.8 | 94% | 0.938 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -2.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115 | C59 | C59-G61 PolarHBondContact O-N 2.88Š|
| 62 | T | 45.1 | Very low | 50 | Low | 112 Ų | 112 | 100.2 Ų | 100.2 | 69% | 0.687 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.3 | 174 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | D60 N64 | D60-T62 PolarHBondContact O-N 3.01Å; T62-N64 PolarHBondContact O-N 3.19Å |
| 63 | I | 51.7 | Low | 50.7 | Low | 33 Ų | 33 | 99.2 Ų | 99.2 | 17% | 0.169 | 51% | 0.514 | C | S | . | . | | | trans | -63.6 | 94.6 | 179.6 | -75 | -167.2 | 0 | 0 | 0 | 110.5 | C59 D60 R67 I68 | C59-I63 HydrophobicContact CB-CD1 4.43Å; D60-I63 HydrophobicContact CB-CG1 4.33Å; D60-I63 WeakPolarHBondContact O-CB 3.27Å; D60-I63 WeakPolarHBondContact O-CG1 3.24Å; D60-I63 PolarHBondContact O-N 3.01Å; I63-R67 HydrophobicContact CG2-CB 4.34Å; I63-I68 HydrophobicContact CG2-CD1 3.87Å; I63-I68 HydrophobicContact CG2-CG1 3.22Å |
| 64 | N | 54.1 | Low | 51.2 | Low | 105 Ų | 105 | 105.6 Ų | 105.6 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | | | trans | -56.5 | 142.8 | 174 | -173.5 | -14.9 | 0 | 0 | 0 | 109.9 | T62 E66 R67 I68 | T62-N64 PolarHBondContact O-N 3.19Å; N64-E66 PolarHBondContact O-N 3Å; N64-R67 WeakPolarHBondContact O-CA 3.34Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.23Å; N64-I68 PolarHBondContact O-N 3.47Å |
| 65 | K | 59.1 | Low | 51.3 | Low | 166 Ų | 166 | 103 Ų | 103 | 72% | 0.722 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.8 | -30.5 | 179.6 | -69.1 | 179.1 | 178 | 174.4 | 0 | 112.8 | K69 | K65-K69 WeakPolarHBondContact O-CB 3.36Å; K65-K69 PolarHBondContact O-N 3.31Å; K65-K69 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 56.3 | Low | 51.3 | Low | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 171.1 | -96.2 | -150.4 | 104.1 | 0 | 0 | 114.6 | N64 K69 R70 | N64-E66 PolarHBondContact O-N 3Å; E66-K69 PolarHBondContact O-N 3.03Å; E66-R70 VanDerWaalsContact CD-NH2 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.32Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 IonicContact OE1-CZ 2.79Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 3.22Å; E66-R70 IonicContact OE1-NH2 2.7Å; E66-R70 PolarHBondContact OE1-NH2 2.99Å; E66-R70 IonicContact OE2-NH2 3.23Å; E66-R70 PolarHBondContact OE2-NH2 2.9Å |
| 67 | R | 55.4 | Low | 51.3 | Low | 131 Ų | 131 | 108 Ų | 108 | 49% | 0.494 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.9 | -41.6 | -177.6 | -162.8 | 177.6 | -172.4 | -169.1 | 1.2 | 110.6 | I63 N64 R70 Q71 | I63-R67 HydrophobicContact CG2-CB 4.34Å; N64-R67 WeakPolarHBondContact O-CA 3.34Å; N64-R67 WeakPolarHBondContact O-CB 3.41Å; N64-R67 PolarHBondContact O-N 3.23Å; R67-R70 PolarHBondContact O-N 3.12Å; R67-Q71 WeakPolarHBondContact O-CG 3.14Å; R67-Q71 PolarHBondContact O-N 3.24Å |
| 68 | I | 59 | Low | 51.4 | Low | 59 Ų | 59 | 110.6 Ų | 110.6 | 30% | 0.303 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -57.2 | -52.3 | 169.2 | -52.4 | -176.9 | 0 | 0 | 0 | 109.9 | I63 N64 R70 Q71 L72 | I63-I68 HydrophobicContact CG2-CD1 3.87Å; I63-I68 HydrophobicContact CG2-CG1 3.22Å; N64-I68 PolarHBondContact O-N 3.47Å; I68-R70 VanDerWaalsContact C-N 3.28Å; I68-R70 PolarHBondContact O-N 3.01Å; I68-Q71 PolarHBondContact O-N 3.37Å; I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 PolarHBondContact O-N 3.47Å |
| 69 | K | 60.9 | Low | 51.4 | Low | 131 Ų | 131 | 108.5 Ų | 108.5 | 57% | 0.57 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.6 | -36.4 | -178.7 | -170.5 | 167.6 | -174 | 166.8 | 0 | 112.7 | K65 E66 N73 | K65-K69 WeakPolarHBondContact O-CB 3.36Å; K65-K69 PolarHBondContact O-N 3.31Å; K65-K69 VanDerWaalsContact O-N 3.13Å; E66-K69 PolarHBondContact O-N 3.03Å; K69-N73 WeakPolarHBondContact O-CB 3.48Å; K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.32Å |
| 70 | R | 58.5 | Low | 51.6 | Low | 149 Ų | 149 | 110.6 Ų | 110.6 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.5 | -29.3 | 174.9 | -71.6 | 173 | -166.7 | -169.2 | 8 | 113.1 | E66 R67 I68 R74 | E66-R70 VanDerWaalsContact CD-NH2 3.25Å; E66-R70 WeakPolarHBondContact O-CB 3.26Å; E66-R70 WeakPolarHBondContact O-CG 3.32Å; E66-R70 PolarHBondContact O-N 3.42Å; E66-R70 IonicContact OE1-CZ 2.79Å; E66-R70 IonicContact OE1-NE 2.69Å; E66-R70 PolarHBondContact OE1-NE 3.22Å; E66-R70 IonicContact OE1-NH2 2.7Å; E66-R70 PolarHBondContact OE1-NH2 2.99Å; E66-R70 IonicContact OE2-NH2 3.23Å; E66-R70 PolarHBondContact OE2-NH2 2.9Å; R67-R70 PolarHBondContact O-N 3.12Å; I68-R70 VanDerWaalsContact C-N 3.28Å; I68-R70 PolarHBondContact O-N 3.01Å; R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 3.06Å |
| 71 | Q | 57.5 | Low | 51.8 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 38% | 0.383 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.6 | -47.6 | 174 | -76.8 | -174.4 | -4.3 | 0 | 0 | 111.6 | R67 I68 N73 R74 S75 | R67-Q71 WeakPolarHBondContact O-CG 3.14Å; R67-Q71 PolarHBondContact O-N 3.24Å; I68-Q71 PolarHBondContact O-N 3.37Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.43Å; Q71-R74 WeakPolarHBondContact O-CA 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.93Å; Q71-S75 PolarHBondContact O-N 2.79Å; Q71-S75 PolarHBondContact O-OG 2.81Å |
| 72 | L | 57.9 | Low | 52 | Low | 63 Ų | 63 | 115.6 Ų | 115.6 | 33% | 0.33 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.2 | -39.7 | 174.4 | -70.1 | 173.7 | 0 | 0 | 0 | 112.1 | I68 R74 S75 | I68-L72 HydrophobicContact CG2-CD1 3.79Å; I68-L72 HydrophobicContact CG2-CG 4.22Å; I68-L72 PolarHBondContact O-N 3.47Å; L72-R74 PolarHBondContact O-N 2.84Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.34Å |
| 73 | N | 54.9 | Low | 52.3 | Low | 114 Ų | 114 | 114.4 Ų | 114.4 | 61% | 0.61 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -10 | 174.2 | -72 | -4.8 | 0 | 0 | 0 | 114.2 | K69 Q71 | K69-N73 WeakPolarHBondContact O-CB 3.48Å; K69-N73 PolarHBondContact O-N 3.32Å; K69-N73 PolarHBondContact O-ND2 3.32Å; Q71-N73 VanDerWaalsContact C-N 3.31Å; Q71-N73 PolarHBondContact O-N 3.43Å |
| 74 | R | 53.6 | Low | 52.4 | Low | 213 Ų | 213 | 114.3 Ų | 114.3 | 80% | 0.804 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -28.1 | 177.2 | -87.3 | 178.5 | 165.7 | 177.9 | -5.8 | 112.7 | R70 Q71 L72 K76 | R70-R74 WeakPolarHBondContact O-CB 3.47Å; R70-R74 VanDerWaalsContact O-CG 3.28Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 3.06Å; Q71-R74 WeakPolarHBondContact O-CA 3.41Å; Q71-R74 WeakPolarHBondContact O-CB 3.46Å; Q71-R74 PolarHBondContact O-N 2.93Å; L72-R74 PolarHBondContact O-N 2.84Å; R74-K76 PolarHBondContact O-N 3.23Å; R74-K76 VanDerWaalsContact O-N 3.14Å |
| 75 | S | 45.9 | Very low | 52.5 | Low | 51 Ų | 51 | 116.8 Ų | 116.8 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | | | trans | -66.3 | 109.8 | 169.3 | 49.6 | 0 | 0 | 0 | 0 | 109.3 | Q71 L72 T77 | Q71-S75 PolarHBondContact O-N 2.79Å; Q71-S75 PolarHBondContact O-OG 2.81Å; L72-S75 WeakPolarHBondContact CA-OG 3.49Å; L72-S75 PolarHBondContact O-OG 3.34Å; S75-T77 WeakPolarHBondContact CB-OG1 3.37Å; S75-T77 PolarHBondContact O-N 3.47Å |
| 76 | K | 45.8 | Very low | 52.8 | Low | 214 Ų | 214 | 112.2 Ų | 112.2 | 93% | 0.93 | 54% | 0.54 | S | S | * | . | | | trans | -62.9 | -1.1 | 173.1 | -70.7 | -174.6 | 177.3 | -178.3 | 0 | 113.8 | R74 T78 | R74-K76 PolarHBondContact O-N 3.23Å; R74-K76 VanDerWaalsContact O-N 3.14Å; K76-T78 PolarHBondContact O-N 3.06Å |
| 77 | T | 46.8 | Very low | 53.4 | Low | 88 Ų | 88 | 112.4 Ų | 112.4 | 54% | 0.54 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -72.6 | 121.3 | 171.4 | 52.8 | 0 | 0 | 0 | 0 | 109.2 | S75 V79 | S75-T77 WeakPolarHBondContact CB-OG1 3.37Å; S75-T77 PolarHBondContact O-N 3.47Å; T77-V79 PolarHBondContact O-N 3.33Å |
| 78 | T | 45.3 | Very low | 54.2 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 85% | 0.853 | 53% | 0.527 | S | S | * | . | | | trans | -70.2 | 55.8 | 164.3 | 51.7 | 0 | 0 | 0 | 0 | 110.6 | K76 E80 | K76-T78 PolarHBondContact O-N 3.06Å; T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.34Å |
| 79 | V | 44.9 | Very low | 54.7 | Low | 76 Ų | 76 | 115 Ų | 115 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | | | trans | -64.9 | 105.2 | 160.8 | 177.6 | 0 | 0 | 0 | 0 | 104.5 | T77 E81 C84 | T77-V79 PolarHBondContact O-N 3.33Å; V79-E81 PolarHBondContact O-N 3.16Å; V79-C84 HydrophobicContact CG1-CB 4.24Å; V79-C84 VanDerWaalsContact CG1-SG 3.51Å |
| 80 | E | 43.5 | Very low | 55.3 | Low | 112 Ų | 112 | 115.3 Ų | 115.3 | 52% | 0.523 | 54% | 0.544 | S | S | . | . | | | trans | -52 | 129.2 | -170.5 | -59.5 | -176.8 | 163.7 | 0 | 0 | 110 | T78 H82 V83 C84 | T78-E80 VanDerWaalsContact C-N 3.34Å; T78-E80 PolarHBondContact O-N 3.34Å; E80-H82 HydrophobicContact CB-CB 4.14Å; E80-H82 PolarHBondContact O-N 2.98Å; E80-V83 HydrophobicContact CB-CB 4.29Å; E80-V83 HydrophobicContact CB-CG2 3.99Å; E80-V83 HydrophobicContact CG-CG2 4.48Å; E80-V83 PolarHBondContact O-N 3.2Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.29Å; E80-C84 PolarHBondContact O-N 2.83Å |
| 81 | E | 45 | Very low | 56.1 | Low | 139 Ų | 139 | 110.2 Ų | 110.2 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -54.9 | -22 | 168 | -73.2 | -170.1 | 126 | 0 | 0 | 110.3 | V79 Y85 | V79-E81 PolarHBondContact O-N 3.16Å; E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 2.9Å |
| 82 | H | 50.3 | Low | 56.9 | Low | 148 Ų | 148 | 110.8 Ų | 110.8 | 69% | 0.685 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.2 | -21.9 | 174.9 | -46.5 | -52.3 | 0 | 0 | 0 | 115 | E80 P86 | E80-H82 HydrophobicContact CB-CB 4.14Å; E80-H82 PolarHBondContact O-N 2.98Å; H82-P86 WeakPolarHBondContact O-CD 3.31Å; H82-P86 WeakPolarHBondContact O-CG 3.19Å |
| 83 | V | 51.2 | Low | 57.5 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 53% | 0.533 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -97.9 | -54.3 | -179.6 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | E80 | E80-V83 HydrophobicContact CB-CB 4.29Å; E80-V83 HydrophobicContact CB-CG2 3.99Å; E80-V83 HydrophobicContact CG-CG2 4.48Å; E80-V83 PolarHBondContact O-N 3.2Å; E80-V83 WeakPolarHBondContact OE2-CG2 3.29Å |
| 84 | C | 54.8 | Low | 58.4 | Low | 31 Ų | 31 | 111.6 Ų | 111.6 | 21% | 0.209 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -70.6 | -40 | -177.7 | -91.5 | 0 | 0 | 0 | 0 | 112.8 | V79 E80 W87 L88 | V79-C84 HydrophobicContact CG1-CB 4.24Å; V79-C84 VanDerWaalsContact CG1-SG 3.51Å; E80-C84 PolarHBondContact O-N 2.83Å; C84-W87 PolarHBondContact O-N 3.08Å; C84-L88 HydrophobicContact CB-CD1 4.26Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 WeakPolarHBondContact O-CD1 3.39Å; C84-L88 PolarHBondContact O-N 2.96Å |
| 85 | Y | 56.4 | Low | 59.5 | Low | 156 Ų | 156 | 103.6 Ų | 103.6 | 61% | 0.612 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.7 | -40.3 | -169.7 | -147 | -97.9 | 0 | 0 | 0 | 113.7 | E81 R89 | E81-Y85 WeakPolarHBondContact O-CB 3.34Å; E81-Y85 PolarHBondContact O-N 2.9Å; Y85-R89 WeakPolarHBondContact O-CB 3.37Å; Y85-R89 PolarHBondContact O-N 2.93Å |
| 86 | P | 64.7 | Low | 60.8 | Low | 71 Ų | 71 | 101.8 Ų | 101.8 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.3 | -40.4 | 173 | -24.6 | 38.3 | 0 | 0 | 0 | 112.9 | H82 R89 R90 | H82-P86 WeakPolarHBondContact O-CD 3.31Å; H82-P86 WeakPolarHBondContact O-CG 3.19Å; P86-R89 PolarHBondContact O-N 2.82Å; P86-R90 WeakPolarHBondContact O-CB 3.31Å; P86-R90 PolarHBondContact O-N 3.18Å |
| 87 | W | 69.4 | Low | 61.8 | Low | 105 Ų | 105 | 96.2 Ų | 96.2 | 40% | 0.398 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.2 | -50.8 | 177.1 | 176.4 | 81.6 | 0 | 0 | 0 | 111.8 | C84 R89 R90 L91 W511 | C84-W87 PolarHBondContact O-N 3.08Å; W87-R89 VanDerWaalsContact C-N 3.29Å; W87-R89 PolarHBondContact O-N 3.08Å; W87-R90 PolarHBondContact O-N 3.04Å; W87-L91 HydrophobicContact CH2-CD2 3.87Å; W87-L91 HydrophobicContact CZ2-CD2 4.05Å; W87-L91 HydrophobicContact CZ3-CD2 4.33Å; W87-L91 WeakPolarHBondContact O-CB 3.49Å; W87-L91 PolarHBondContact O-N 2.92Å; W87-W511 AromaticContact NE1-CH2 3.65Å; W87-W511 AromaticContact NE1-CZ3 3.95Å |
| 88 | L | 72.2 | Confident | 62.9 | Low | 56 Ų | 56 | 97.4 Ų | 97.4 | 29% | 0.293 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 174.2 | -94.8 | 126.3 | 0 | 0 | 0 | 111.6 | C84 L91 F92 | C84-L88 HydrophobicContact CB-CD1 4.26Å; C84-L88 WeakPolarHBondContact O-CB 3.45Å; C84-L88 WeakPolarHBondContact O-CD1 3.39Å; C84-L88 PolarHBondContact O-N 2.96Å; L88-L91 PolarHBondContact O-N 2.8Å; L88-F92 HydrophobicContact CD2-CD2 4.37Å; L88-F92 HydrophobicContact CD2-CE2 4.1Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 WeakPolarHBondContact O-CD2 3.37Å; L88-F92 PolarHBondContact O-N 3.05Å |
| 89 | R | 69.9 | Low | 64.1 | Low | 188 Ų | 188 | 95.4 Ų | 95.4 | 71% | 0.709 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 177.8 | -172.3 | 175.4 | -173.9 | 168.6 | 0.9 | 112.3 | Y85 P86 W87 F93 | Y85-R89 WeakPolarHBondContact O-CB 3.37Å; Y85-R89 PolarHBondContact O-N 2.93Å; P86-R89 PolarHBondContact O-N 2.82Å; W87-R89 VanDerWaalsContact C-N 3.29Å; W87-R89 PolarHBondContact O-N 3.08Å; R89-F93 VanDerWaalsContact O-CB 3.32Å; R89-F93 WeakPolarHBondContact O-CB 3.38Å; R89-F93 PolarHBondContact O-N 2.97Å |
| 90 | R | 72.5 | Confident | 64.8 | Low | 138 Ų | 138 | 96.4 Ų | 96.4 | 52% | 0.521 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 176.6 | -168.1 | 168.7 | -171.9 | 168.9 | 3 | 111.2 | P86 W87 F93 H94 | P86-R90 WeakPolarHBondContact O-CB 3.31Å; P86-R90 PolarHBondContact O-N 3.18Å; W87-R90 PolarHBondContact O-N 3.04Å; R90-F93 PolarHBondContact O-N 3.05Å; R90-H94 PolarHBondContact O-CD2 2.95Å; R90-H94 VanDerWaalsContact O-CD2 3.25Å; R90-H94 PolarHBondContact O-N 3.24Å |
| 91 | L | 76.5 | Confident | 65.5 | Low | 43 Ų | 43 | 97.1 Ų | 97.1 | 23% | 0.225 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 173.2 | -177.9 | 63.2 | 0 | 0 | 0 | 111.5 | W87 L88 F93 H94 L95 | W87-L91 HydrophobicContact CH2-CD2 3.87Å; W87-L91 HydrophobicContact CZ2-CD2 4.05Å; W87-L91 HydrophobicContact CZ3-CD2 4.33Å; W87-L91 WeakPolarHBondContact O-CB 3.49Å; W87-L91 PolarHBondContact O-N 2.92Å; L88-L91 PolarHBondContact O-N 2.8Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.27Å; L91-H94 PolarHBondContact O-N 2.77Å; L91-L95 HydrophobicContact CD1-CD1 3.93Å; L91-L95 HydrophobicContact CD1-CG 4.09Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.9Å |
| 92 | F | 72.9 | Confident | 66.4 | Low | 93 Ų | 93 | 93.2 Ų | 93.2 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -36.3 | 175.3 | -97.3 | -84.6 | 0 | 0 | 0 | 112.7 | L88 S96 L102 | L88-F92 HydrophobicContact CD2-CD2 4.37Å; L88-F92 HydrophobicContact CD2-CE2 4.1Å; L88-F92 WeakPolarHBondContact O-CB 3.47Å; L88-F92 WeakPolarHBondContact O-CD2 3.37Å; L88-F92 PolarHBondContact O-N 3.05Å; F92-S96 VanDerWaalsContact O-CB 3.27Å; F92-S96 WeakPolarHBondContact O-CB 3.37Å; F92-S96 PolarHBondContact O-N 3.4Å; F92-S96 PolarHBondContact O-OG 2.94Å; F92-S96 VanDerWaalsContact O-OG 3.08Å; F92-L102 HydrophobicContact CD1-CD2 3.87Å; F92-L102 HydrophobicContact CE1-CD2 4.24Å |
| 93 | F | 71.6 | Confident | 66.6 | Low | 125 Ų | 125 | 91.7 Ų | 91.7 | 55% | 0.548 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.2 | -49.3 | 176.7 | -176.4 | -99.3 | 0 | 0 | 0 | 111.9 | R89 R90 L91 S96 N97 | R89-F93 VanDerWaalsContact O-CB 3.32Å; R89-F93 WeakPolarHBondContact O-CB 3.38Å; R89-F93 PolarHBondContact O-N 2.97Å; R90-F93 PolarHBondContact O-N 3.05Å; L91-F93 VanDerWaalsContact C-N 3.28Å; L91-F93 PolarHBondContact O-N 3.27Å; F93-S96 WeakPolarHBondContact CA-OG 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 3.36Å; F93-N97 PolarHBondContact O-N 2.94Å; F93-N97 PolarHBondContact O-OD1 2.86Å |
| 94 | H | 73.1 | Confident | 66.2 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 32% | 0.324 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 175.4 | -81.4 | -73.1 | 0 | 0 | 0 | 111.6 | R90 L91 S96 N97 Y98 | R90-H94 PolarHBondContact O-CD2 2.95Å; R90-H94 VanDerWaalsContact O-CD2 3.25Å; R90-H94 PolarHBondContact O-N 3.24Å; L91-H94 PolarHBondContact O-N 2.77Å; H94-S96 PolarHBondContact O-N 3.34Å; H94-N97 WeakPolarHBondContact O-CB 3.2Å; H94-N97 PolarHBondContact O-N 2.97Å; H94-Y98 WeakPolarHBondContact O-CD2 3.18Å |
| 95 | L | 76.2 | Confident | 65.8 | Low | 45 Ų | 45 | 95.4 Ų | 95.4 | 24% | 0.236 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -59.7 | -34.5 | 177.5 | -68.9 | 174.5 | 0 | 0 | 0 | 111.9 | L91 N97 Y98 F99 L102 | L91-L95 HydrophobicContact CD1-CD1 3.93Å; L91-L95 HydrophobicContact CD1-CG 4.09Å; L91-L95 HydrophobicContact CG-CD1 3.85Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 WeakPolarHBondContact O-CB 3.38Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.38Å; L91-L95 PolarHBondContact O-N 2.9Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 3.35Å; L95-Y98 PolarHBondContact O-N 2.82Å; L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CD2-CD2 4.35Å; L95-F99 HydrophobicContact CD2-CE2 4.13Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 WeakPolarHBondContact O-CD2 2.87Å; L95-F99 PolarHBondContact O-N 3.34Å; L95-L102 HydrophobicContact CB-CD2 3.51Å |
| 96 | S | 73.8 | Confident | 65.1 | Low | 13 Ų | 13 | 98.9 Ų | 98.9 | 9% | 0.091 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -70.4 | -18.3 | 177.1 | 62.6 | 0 | 0 | 0 | 0 | 115.4 | F92 F93 H94 F99 H103 | F92-S96 VanDerWaalsContact O-CB 3.27Å; F92-S96 WeakPolarHBondContact O-CB 3.37Å; F92-S96 PolarHBondContact O-N 3.4Å; F92-S96 PolarHBondContact O-OG 2.94Å; F92-S96 VanDerWaalsContact O-OG 3.08Å; F93-S96 WeakPolarHBondContact CA-OG 3.35Å; F93-S96 PolarHBondContact O-N 2.92Å; F93-S96 PolarHBondContact O-OG 3.36Å; H94-S96 PolarHBondContact O-N 3.34Å; S96-F99 CarbonylContact O-C 3.56Å; S96-H103 WeakPolarHBondContact CB-CD2 3.49Å; S96-H103 WeakPolarHBondContact CB-NE2 3.35Å; S96-H103 PolarHBondContact OG-NE2 2.98Å |
| 97 | N | 67.8 | Low | 64 | Low | 97 Ų | 97 | 100.6 Ų | 100.6 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.8 | -30.8 | 173.1 | -62.9 | -16.6 | 0 | 0 | 0 | 111.4 | F93 H94 L95 | F93-N97 PolarHBondContact O-N 2.94Å; F93-N97 PolarHBondContact O-OD1 2.86Å; H94-N97 WeakPolarHBondContact O-CB 3.2Å; H94-N97 PolarHBondContact O-N 2.97Å; L95-N97 VanDerWaalsContact C-N 3.26Å; L95-N97 PolarHBondContact O-N 3.35Å |
| 98 | Y | 69.3 | Low | 62.7 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -88.2 | -27.9 | 175.3 | -59.8 | -70 | 0 | 0 | 0 | 112.9 | H94 L95 I504 | H94-Y98 WeakPolarHBondContact O-CD2 3.18Å; L95-Y98 PolarHBondContact O-N 2.82Å; Y98-I504 HydrophobicContact CD1-CD1 4.35Å |
| 99 | F | 69.6 | Low | 61.2 | Low | 97 Ų | 97 | 108 Ų | 108 | 43% | 0.425 | 52% | 0.519 | S | S | . | . | | | trans | -123.2 | 89 | 178.4 | -57.7 | -74 | 0 | 0 | 0 | 109.5 | L95 S96 N101 L102 | L95-F99 HydrophobicContact CB-CD2 4.44Å; L95-F99 HydrophobicContact CD2-CD2 4.35Å; L95-F99 HydrophobicContact CD2-CE2 4.13Å; L95-F99 WeakPolarHBondContact O-CB 3.42Å; L95-F99 WeakPolarHBondContact O-CD2 2.87Å; L95-F99 PolarHBondContact O-N 3.34Å; S96-F99 CarbonylContact O-C 3.56Å; F99-N101 PolarHBondContact O-N 2.95Å; F99-L102 HydrophobicContact CB-CB 4.07Å; F99-L102 HydrophobicContact CB-CD1 4.1Å; F99-L102 HydrophobicContact CD2-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.37Å; F99-L102 PolarHBondContact O-N 2.91Å |
| 100 | P | 60.9 | Low | 59.7 | Low | 98 Ų | 98 | 109.6 Ų | 109.6 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -54.2 | -30.5 | 179.3 | -27.2 | 35 | 0 | 0 | 0 | 113.2 | L102 | P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.22Å |
| 101 | N | 56.7 | Low | 58 | Low | 126 Ų | 126 | 112.6 Ų | 112.6 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -80.8 | -1.9 | -179.6 | -62.5 | -26.7 | 0 | 0 | 0 | 114.3 | F99 H103 T104 | F99-N101 PolarHBondContact O-N 2.95Å; N101-H103 VanDerWaalsContact C-N 3.28Å; N101-H103 PolarHBondContact O-N 3.02Å; N101-T104 WeakPolarHBondContact CA-OG1 3.39Å; N101-T104 WeakPolarHBondContact CB-OG1 3.21Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact O-OG1 2.74Å |
| 102 | L | 64 | Low | 56.2 | Low | 57 Ų | 57 | 119.8 Ų | 119.8 | 30% | 0.298 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -66.4 | -31 | -179.8 | -151 | 85.8 | 0 | 0 | 0 | 112.5 | F92 L95 F99 P100 | F92-L102 HydrophobicContact CD1-CD2 3.87Å; F92-L102 HydrophobicContact CE1-CD2 4.24Å; L95-L102 HydrophobicContact CB-CD2 3.51Å; F99-L102 HydrophobicContact CB-CB 4.07Å; F99-L102 HydrophobicContact CB-CD1 4.1Å; F99-L102 HydrophobicContact CD2-CD1 4.49Å; F99-L102 VanDerWaalsContact O-CB 3.24Å; F99-L102 WeakPolarHBondContact O-CB 3.37Å; F99-L102 PolarHBondContact O-N 2.91Å; P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.22Å |
| 103 | H | 55.3 | Low | 54.5 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -83.8 | -18.4 | 171.9 | -68.4 | -51.3 | 0 | 0 | 0 | 112.8 | S96 N101 T105 | S96-H103 WeakPolarHBondContact CB-CD2 3.49Å; S96-H103 WeakPolarHBondContact CB-NE2 3.35Å; S96-H103 PolarHBondContact OG-NE2 2.98Å; N101-H103 VanDerWaalsContact C-N 3.28Å; N101-H103 PolarHBondContact O-N 3.02Å; H103-T105 PolarHBondContact O-N 2.75Å |
| 104 | T | 43.8 | Very low | 53 | Low | 88 Ų | 88 | 120.2 Ų | 120.2 | 54% | 0.54 | 58% | 0.578 | S | S | . | * | | | trans | -84.4 | 50.1 | 179.1 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | N101 R106 | N101-T104 WeakPolarHBondContact CA-OG1 3.39Å; N101-T104 WeakPolarHBondContact CB-OG1 3.21Å; N101-T104 PolarHBondContact O-N 3.43Å; N101-T104 PolarHBondContact O-OG1 2.74Å; T104-R106 PolarHBondContact O-N 2.78Å |
| 105 | T | 45.3 | Very low | 51.4 | Low | 110 Ų | 110 | 123.3 Ų | 123.3 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | | | trans | -66.7 | 83.2 | 149.5 | 40.1 | 0 | 0 | 0 | 0 | 106.9 | H103 | H103-T105 PolarHBondContact O-N 2.75Š|
| 106 | R | 42.8 | Very low | 49.7 | Very low | 229 Ų | 229 | 125 Ų | 125 | 86% | 0.864 | 62% | 0.618 | S | S | * | * | | | trans | -41.4 | 114.2 | 175.2 | -171.6 | -177.9 | -165.3 | -179 | 6.7 | 105.9 | T104 S108 | T104-R106 PolarHBondContact O-N 2.78Å; R106-S108 PolarHBondContact O-N 2.89Å |
| 107 | P | 39.8 | Very low | 48.1 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 65% | 0.647 | S | S | * | * | | | trans | -56.5 | 120.4 | -169.5 | 19.9 | -31.7 | 0 | 0 | 0 | 106.5 | R109 | P107-R109 PolarHBondContact O-N 3.13Š|
| 108 | S | 43.7 | Very low | 46.6 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 66% | 0.658 | S | S | * | * | | | trans | -69.9 | 75.4 | 177.7 | -171 | 0 | 0 | 0 | 0 | 107.7 | R106 R110 | R106-S108 PolarHBondContact O-N 2.89Å; S108-R110 PolarHBondContact O-N 3.4Å |
| 109 | R | 40 | Very low | 45.2 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 77% | 0.774 | 67% | 0.671 | S | S | * | * | | | trans | -56.3 | 87.3 | 143.3 | -74.1 | -173.7 | 177.6 | -175.6 | 1 | 104.2 | P107 Y111 | P107-R109 PolarHBondContact O-N 3.13Å; R109-Y111 PolarHBondContact O-N 2.9Å |
| 110 | R | 38.1 | Very low | 43.8 | Very low | 222 Ų | 222 | 132.1 Ų | 132.1 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | | | trans | -43.4 | 106.9 | 135.6 | -70.6 | -174.3 | -178.2 | -171.4 | -0.9 | 104 | S108 R112 | S108-R110 PolarHBondContact O-N 3.4Å; R110-R112 PolarHBondContact O-N 3.23Å |
| 111 | Y | 37.3 | Very low | 42.6 | Very low | 202 Ų | 202 | 133.8 Ų | 133.8 | 79% | 0.792 | 70% | 0.695 | S | S | * | * | | | trans | -58.9 | 94 | 164.1 | -98.5 | -92.8 | 0 | 0 | 0 | 104.3 | R109 S113 | R109-Y111 PolarHBondContact O-N 2.9Å; Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 2.7Å |
| 112 | R | 38.1 | Very low | 41.7 | Very low | 194 Ų | 194 | 134.8 Ų | 134.8 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | | | trans | -60.2 | 109.8 | 160.9 | -175.7 | 177 | -168.5 | -164 | 4.5 | 102.9 | R110 H114 | R110-R112 PolarHBondContact O-N 3.23Å; R112-H114 PolarHBondContact O-CD2 3.48Å; R112-H114 PolarHBondContact O-N 3.3Å |
| 113 | S | 37.3 | Very low | 40.4 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 72% | 0.718 | S | S | * | * | | | trans | -60.8 | 87.9 | -178.4 | -48.2 | 0 | 0 | 0 | 0 | 108.4 | Y111 T115 | Y111-S113 VanDerWaalsContact C-N 3.33Å; Y111-S113 PolarHBondContact O-N 2.7Å; S113-T115 PolarHBondContact O-N 2.88Å |
| 114 | H | 40.5 | Very low | 39.6 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | | | trans | -77 | 71.9 | 170.9 | -80.7 | -79 | 0 | 0 | 0 | 107 | R112 S116 | R112-H114 PolarHBondContact O-CD2 3.48Å; R112-H114 PolarHBondContact O-N 3.3Å; H114-S116 PolarHBondContact O-N 3.05Å |
| 115 | T | 38.6 | Very low | 39.3 | Very low | 136 Ų | 136 | 151 Ų | 151 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -70.6 | 60.6 | 156.7 | 53.6 | 0 | 0 | 0 | 0 | 108.3 | S113 | S113-T115 PolarHBondContact O-N 2.88Š|
| 116 | S | 40.9 | Very low | 39.1 | Very low | 79 Ų | 79 | 154.3 Ų | 154.3 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | | | trans | -121.6 | 90 | 168.5 | 52.6 | 0 | 0 | 0 | 0 | 104.9 | H114 | H114-S116 PolarHBondContact O-N 3.05Š|
| 117 | T | 39.8 | Very low | 39 | Very low | 114 Ų | 114 | 155.1 Ų | 155.1 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | -47.5 | 136 | 177.2 | 37.4 | 0 | 0 | 0 | 0 | 110.9 | T119 | T117-T119 PolarHBondContact O-N 2.95Š|
| 118 | P | 38 | Very low | 39.1 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -68.7 | 99.3 | 167.7 | 28.8 | -31.6 | 0 | 0 | 0 | 107.8 | T120 | P118-T120 PolarHBondContact O-N 3.24Š|
| 119 | T | 39.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 156.8 Ų | 156.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | trans | -72.9 | 75.3 | 175.6 | 42.6 | 0 | 0 | 0 | 0 | 110.6 | T117 V121 | T117-T119 PolarHBondContact O-N 2.95Å; T119-V121 PolarHBondContact O-N 3.13Å |
| 120 | T | 40.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 154.4 Ų | 154.4 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | 87.1 | 156.7 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | P118 L122 | P118-T120 PolarHBondContact O-N 3.24Å; T120-L122 PolarHBondContact O-N 2.62Å |
| 121 | V | 35.4 | Very low | 38.8 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | | | trans | -76.4 | 74 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | T119 | T119-V121 PolarHBondContact O-N 3.13Š|
| 122 | L | 37.7 | Very low | 39.1 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -123.5 | 77.5 | 168.9 | -106.6 | 173.4 | 0 | 0 | 0 | 108.1 | T120 | T120-L122 PolarHBondContact O-N 2.62Š|
| 123 | N | 37.4 | Very low | 39 | Very low | 130 Ų | 130 | 143 Ų | 143 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | S | Bend | | -178.7 | 139 | 126.1 | -102.3 | -62.7 | 0 | 0 | 0 | 114.1 | | |
| 124 | R | 37.4 | Very low | 39.3 | Very low | 217 Ų | 217 | 146.2 Ų | 146.2 | 82% | 0.819 | 76% | 0.762 | S | S | * | * | | | trans | 22.7 | 105.4 | 142.8 | -64.8 | 174.7 | 176.1 | -174.3 | -1.9 | 117.4 | Q126 | R124-Q126 PolarHBondContact O-N 3.25Å; R124-Q126 VanDerWaalsContact O-N 3.09Å |
| 125 | R | 37 | Very low | 39.1 | Very low | 253 Ų | 253 | 147.6 Ų | 147.6 | 96% | 0.955 | 77% | 0.774 | S | S | * | * | | | trans | -61.3 | 104.5 | 140.2 | -84 | -177.3 | 168.3 | -178.4 | -4.3 | 108.3 | | |
| 126 | Q | 42 | Very low | 39.2 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -67.2 | 128.9 | 160.6 | -75.2 | 176.3 | -48.4 | 0 | 0 | 108.9 | R124 | R124-Q126 PolarHBondContact O-N 3.25Å; R124-Q126 VanDerWaalsContact O-N 3.09Å |
| 127 | R | 39.8 | Very low | 39 | Very low | 246 Ų | 246 | 148.5 Ų | 148.5 | 93% | 0.928 | 77% | 0.774 | S | S | * | * | | | trans | -86.4 | 112.9 | 153.4 | -83.3 | -178.8 | 166 | -173.5 | -3.9 | 107.2 | | |
| 128 | S | 41.8 | Very low | 38.7 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 77% | 0.774 | S | S | * | * | | | trans | 169.9 | 113.1 | 137.9 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 129 | N | 38.5 | Very low | 38.5 | Very low | 154 Ų | 154 | 152.2 Ų | 152.2 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | | | trans | 28.3 | 101.5 | 137.9 | -48.7 | -10.9 | 0 | 0 | 0 | 117.3 | | |
| 130 | L | 39.9 | Very low | 38.3 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | -166.1 | 120.2 | 137.5 | -130.2 | 75.3 | 0 | 0 | 0 | 110.2 | V132 | L130-V132 HydrophobicContact CD2-CG2 4.16Š|
| 131 | P | 38.2 | Very low | 38 | Very low | 132 Ų | 132 | 154.4 Ų | 154.4 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | | | trans | -92.5 | 104.3 | 172.4 | 33.2 | -27.5 | 0 | 0 | 0 | 109.9 | | |
| 132 | V | 42.7 | Very low | 38.2 | Very low | 104 Ų | 104 | 156.9 Ų | 156.9 | 63% | 0.63 | 77% | 0.77 | S | S | * | * | | | trans | -128.1 | 96 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 110.7 | L130 K134 | L130-V132 HydrophobicContact CD2-CG2 4.16Å; V132-K134 HydrophobicContact CG1-CG 4.22Å; V132-K134 PolarHBondContact O-N 3.31Å |
| 133 | N | 36 | Very low | 37.9 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 77% | 0.765 | 76% | 0.763 | S | S | * | * | | | trans | -59.9 | 116.5 | 162.8 | 172.2 | 10.6 | 0 | 0 | 0 | 110.1 | | |
| 134 | K | 43.9 | Very low | 38.1 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 73% | 0.726 | 77% | 0.768 | S | S | * | * | | | trans | -142.2 | 109.5 | 159.3 | -74.4 | -166.6 | 179.3 | -178.8 | 0 | 111.3 | V132 I136 | V132-K134 HydrophobicContact CG1-CG 4.22Å; V132-K134 PolarHBondContact O-N 3.31Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.89Å |
| 135 | N | 37.2 | Very low | 37.9 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -57.3 | 124.5 | 156 | -71.4 | -34.2 | 0 | 0 | 0 | 109.1 | | |
| 136 | I | 39.8 | Very low | 37.8 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | trans | -125 | 86.2 | 169.1 | -60.5 | -177.8 | 0 | 0 | 0 | 107.9 | K134 | K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.89Å |
| 137 | S | 37.7 | Very low | 37.6 | Very low | 94 Ų | 94 | 139.6 Ų | 139.6 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | | | trans | 31.7 | 113.1 | 132.5 | 61.5 | 0 | 0 | 0 | 0 | 118.7 | Y139 | S137-Y139 PolarHBondContact O-N 2.9Š|
| 138 | S | 33.1 | Very low | 37.5 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | -7.8 | 116.9 | 146.2 | 54.2 | 0 | 0 | 0 | 0 | 117.2 | T140 | S138-T140 PolarHBondContact O-N 3.18Š|
| 139 | Y | 33.5 | Very low | 37.5 | Very low | 209 Ų | 209 | 142.4 Ų | 142.4 | 82% | 0.82 | 75% | 0.747 | S | S | * | * | | | trans | -89.7 | 80.4 | 157.7 | -158.5 | -103.7 | 0 | 0 | 0 | 109.5 | S137 Y141 | S137-Y139 PolarHBondContact O-N 2.9Å; Y139-Y141 AromaticContact CE1-CD2 3.95Å; Y139-Y141 HydrophobicContact CE1-CD2 3.95Å; Y139-Y141 PolarHBondContact O-N 3.44Å |
| 140 | T | 36 | Very low | 37.4 | Very low | 101 Ų | 101 | 143.6 Ų | 143.6 | 62% | 0.62 | 75% | 0.747 | S | S | * | * | | | trans | -77.1 | 105.2 | 175.1 | -39.8 | 0 | 0 | 0 | 0 | 108.5 | S138 K142 | S138-T140 PolarHBondContact O-N 3.18Å; T140-K142 VanDerWaalsContact C-N 3.29Å; T140-K142 PolarHBondContact O-N 3.32Å |
| 141 | Y | 32.4 | Very low | 37.3 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | | | trans | -71.7 | 85.4 | 176 | -155.6 | -88.1 | 0 | 0 | 0 | 109.9 | Y139 S143 | Y139-Y141 AromaticContact CE1-CD2 3.95Å; Y139-Y141 HydrophobicContact CE1-CD2 3.95Å; Y139-Y141 PolarHBondContact O-N 3.44Å; Y141-S143 PolarHBondContact O-N 2.97Å |
| 142 | K | 40.5 | Very low | 37.4 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -72.8 | 104.2 | 170.1 | -73.4 | -170.2 | 175.4 | -173.3 | 0 | 108.7 | T140 | T140-K142 VanDerWaalsContact C-N 3.29Å; T140-K142 PolarHBondContact O-N 3.32Å |
| 143 | S | 30.7 | Very low | 37 | Very low | 89 Ų | 89 | 142 Ų | 142 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | | | trans | -55.5 | 143.5 | 163.9 | -60.4 | 0 | 0 | 0 | 0 | 109.9 | Y141 T145 | Y141-S143 PolarHBondContact O-N 2.97Å; S143-T145 PolarHBondContact O-N 2.86Å; S143-T145 VanDerWaalsContact O-N 3.16Å |
| 144 | P | 41.4 | Very low | 37 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 79% | 0.792 | 75% | 0.749 | S | S | * | * | | | trans | -60.4 | 120.3 | -178.6 | -23.3 | 33.8 | 0 | 0 | 0 | 111.8 | I146 | P144-I146 PolarHBondContact O-N 3.18Š|
| 145 | T | 34.5 | Very low | 36.5 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -66.3 | 107.8 | 164.7 | 39.4 | 0 | 0 | 0 | 0 | 109.1 | S143 S147 | S143-T145 PolarHBondContact O-N 2.86Å; S143-T145 VanDerWaalsContact O-N 3.16Å; T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.34Å |
| 146 | I | 35.1 | Very low | 36.4 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 66% | 0.662 | 76% | 0.756 | S | S | * | * | | | trans | -81.6 | 86.3 | 157.9 | -54.3 | 178.7 | 0 | 0 | 0 | 106.5 | P144 Y148 | P144-I146 PolarHBondContact O-N 3.18Å; I146-Y148 HydrophobicContact CB-CE2 4.46Å; I146-Y148 HydrophobicContact CG2-CD2 3.75Å; I146-Y148 HydrophobicContact CG2-CE1 4.4Å; I146-Y148 HydrophobicContact CG2-CE2 3.35Å; I146-Y148 HydrophobicContact CG2-CG 4.42Å; I146-Y148 PolarHBondContact O-N 2.97Å |
| 147 | S | 37.6 | Very low | 36.1 | Very low | 97 Ų | 97 | 144.7 Ų | 144.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | -80.4 | 98.2 | 166 | 54.7 | 0 | 0 | 0 | 0 | 108.2 | T145 K149 | T145-S147 VanDerWaalsContact C-N 3.28Å; T145-S147 PolarHBondContact O-N 3.34Å; S147-K149 PolarHBondContact O-N 3.31Å |
| 148 | Y | 37.3 | Very low | 36 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -66.1 | 114 | 163.1 | -73.4 | -79 | 0 | 0 | 0 | 107.8 | I146 | I146-Y148 HydrophobicContact CB-CE2 4.46Å; I146-Y148 HydrophobicContact CG2-CD2 3.75Å; I146-Y148 HydrophobicContact CG2-CE1 4.4Å; I146-Y148 HydrophobicContact CG2-CE2 3.35Å; I146-Y148 HydrophobicContact CG2-CG 4.42Å; I146-Y148 PolarHBondContact O-N 2.97Å |
| 149 | K | 41.5 | Very low | 36 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | | | trans | -72.1 | 143.9 | 164.8 | -84.5 | -165.8 | 168 | -165.2 | 0 | 108.9 | S147 | S147-K149 PolarHBondContact O-N 3.31Š|
| 150 | E | 35.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 146 Ų | 146 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -53.4 | 139.5 | 158.8 | -65.3 | 154.6 | 126.6 | 0 | 0 | 109.9 | | |
| 151 | N | 39.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 146.2 Ų | 146.2 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | | | | -174.2 | 127.7 | 120.2 | -89.6 | 1.9 | 0 | 0 | 0 | 109.8 | | |
| 152 | D | 39.4 | Very low | 35.5 | Very low | 151 Ų | 151 | 145 Ų | 145 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | 49.3 | 118.6 | 140.8 | -49.1 | -33.8 | 0 | 0 | 0 | 121.2 | | |
| 153 | G | 34.6 | Very low | 34.9 | Very low | 68 Ų | 68 | 144.7 Ų | 144.7 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | 80.3 | 90.2 | 139.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 154 | H | 36.5 | Very low | 35.1 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | | | | -170.4 | 144.5 | 95.5 | -106.9 | -75.7 | 0 | 0 | 0 | 112.5 | | |
| 155 | E | 33.4 | Very low | 34.5 | Very low | 164 Ų | 164 | 145.5 Ų | 145.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -64.2 | 133.1 | 172.3 | -56.4 | 156.8 | 117.6 | 0 | 0 | 110.7 | | |
| 156 | F | 34.7 | Very low | 34.3 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | | | trans | -146.2 | 102.6 | 135.6 | -90.2 | -66.3 | 0 | 0 | 0 | 109.1 | | |
| 157 | S | 33.6 | Very low | 34.1 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -72.3 | 146.5 | 166.3 | 52 | 0 | 0 | 0 | 0 | 110 | | |
| 158 | I | 35.1 | Very low | 33.7 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | -166.3 | 104.1 | 133.7 | -94.8 | 148.4 | 0 | 0 | 0 | 109.2 | | |
| 159 | V | 32.4 | Very low | 33.4 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 70% | 0.703 | 78% | 0.776 | S | S | * | * | | | trans | 40.2 | 100.2 | 137 | -163 | 0 | 0 | 0 | 0 | 118.5 | | |
| 160 | N | 31.7 | Very low | 32.8 | Very low | 156 Ų | 156 | 146.9 Ų | 146.9 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | | -171.8 | 78.8 | 118.3 | -98 | -28.5 | 0 | 0 | 0 | 111.7 | | |
| 161 | S | 29.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -123.6 | 108.1 | 163.4 | 58.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 162 | I | 31.9 | Very low | 32.1 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -95.4 | 92.7 | 163.8 | -62.2 | -179.7 | 0 | 0 | 0 | 107 | | |
| 163 | Q | 28 | Very low | 32 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | | | trans | -105.2 | 92.9 | 170.5 | -176 | 175.8 | 4.3 | 0 | 0 | 108 | | |
| 164 | S | 33.2 | Very low | 31.7 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | | | trans | -146.4 | 98 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 165 | I | 29.2 | Very low | 31.6 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | | 61.3 | 93.6 | 89.9 | -59.4 | 162.5 | 0 | 0 | 0 | 110.6 | | |
| 166 | N | 32.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 144 Ų | 144 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | | -168.7 | 111.4 | 129.1 | -94.5 | -23.8 | 0 | 0 | 0 | 109.7 | | |
| 167 | P | 30.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -79.8 | 173.4 | 164.9 | 36.4 | -33.8 | 0 | 0 | 0 | 110.1 | | |
| 168 | I | 27.7 | Very low | 31.9 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | 72.3 | 101.6 | 172.2 | -47.9 | 163.2 | 0 | 0 | 0 | 114.2 | | |
| 169 | T | 32.2 | Very low | 31.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | | | | -160.7 | 101.7 | 120.8 | -75.6 | 0 | 0 | 0 | 0 | 108.4 | M171 | T169-M171 HydrophobicContact CG2-CG 3.75Å; T169-M171 HydrophobicContact CG2-SD 4.42Å; T169-M171 PolarHBondContact O-N 2.85Å |
| 170 | R | 27.9 | Very low | 32 | Very low | 252 Ų | 252 | 138.9 Ų | 138.9 | 95% | 0.951 | 75% | 0.754 | S | S | * | * | | | trans | -77.4 | 108.4 | 161.5 | -80.4 | 177.1 | 166.2 | 177.7 | -4.9 | 107 | | |
| 171 | M | 31 | Very low | 32.2 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | | | trans | -97 | 104.8 | 161 | -81.3 | -175.2 | 77.7 | 0 | 0 | 109.6 | T169 | T169-M171 HydrophobicContact CG2-CG 3.75Å; T169-M171 HydrophobicContact CG2-SD 4.42Å; T169-M171 PolarHBondContact O-N 2.85Å |
| 172 | S | 28.9 | Very low | 32.4 | Very low | 89 Ų | 89 | 136.5 Ų | 136.5 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | | | trans | -63.9 | 131 | 161.7 | 164.2 | 0 | 0 | 0 | 0 | 109.1 | N174 | S172-N174 PolarHBondContact OG-N 3.45Š|
| 173 | M | 36.8 | Very low | 32.5 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 80% | 0.803 | 74% | 0.743 | S | S | * | * | | | trans | -123 | 60.8 | 159.7 | -74.1 | -70.8 | -76.9 | 0 | 0 | 108.4 | | |
| 174 | N | 30 | Very low | 33.1 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 77% | 0.765 | 74% | 0.742 | S | S | * | * | | | trans | -79.8 | 106.9 | 152.2 | -84 | -5.5 | 0 | 0 | 0 | 106.7 | S172 | S172-N174 PolarHBondContact OG-N 3.45Š|
| 175 | D | 34.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | -153.1 | 129.2 | 162.1 | -105.8 | -34.3 | 0 | 0 | 0 | 112.7 | | |
| 176 | I | 39.2 | Very low | 33.7 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | 78.8 | 85.1 | 147.8 | -54.1 | 162.8 | 0 | 0 | 0 | 117.7 | | |
| 177 | N | 30.9 | Very low | 34.1 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | | 62.2 | 107 | 122.4 | -52.9 | -15 | 0 | 0 | 0 | 120.9 | | |
| 178 | S | 36.2 | Very low | 34.5 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | | -151.9 | 131.5 | 112.2 | -168.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 179 | S | 35 | Very low | 35 | Very low | 88 Ų | 88 | 138 Ų | 138 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | | | trans | -57.7 | 157.4 | 173.4 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 180 | D | 35 | Very low | 35.1 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | | | | -165.5 | 146.5 | 55.5 | -101.2 | -58.3 | 0 | 0 | 0 | 115.5 | | |
| 181 | T | 37 | Very low | 35.3 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 57.5 | 149.7 | 150.7 | 62.5 | 0 | 0 | 0 | 0 | 121.6 | | |
| 182 | S | 33.8 | Very low | 35.4 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 73% | 0.725 | S | S | * | * | | | cis | -178 | 170.3 | -49 | 41.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 183 | Y | 34 | Very low | 35.4 | Very low | 198 Ų | 198 | 132.9 Ų | 132.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | 85.1 | 101.2 | 167.3 | -67.2 | -83.7 | 0 | 0 | 0 | 120.6 | | |
| 184 | L | 39.5 | Very low | 35.4 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | | | trans | 73.6 | 144.5 | 133.8 | -52.8 | 173.4 | 0 | 0 | 0 | 119.8 | | |
| 185 | A | 37.8 | Very low | 35.5 | Very low | 74 Ų | 74 | 132 Ų | 132 | 61% | 0.612 | 74% | 0.737 | S | S | * | * | | | cis | -160.3 | 150.7 | -22.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 186 | E | 37.9 | Very low | 35.6 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | trans | 18.2 | 121.3 | 143.8 | -66.1 | 154.2 | -160.7 | 0 | 0 | 118.3 | | |
| 187 | D | 40.7 | Very low | 35.1 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 75% | 0.747 | S | S | * | * | | | | -158.5 | 156.1 | 94.7 | -120.3 | -32.2 | 0 | 0 | 0 | 114.6 | | |
| 188 | N | 38.2 | Very low | 35.2 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | -99.3 | -179.8 | -161.8 | -74.6 | -67.9 | 0 | 0 | 0 | 115.1 | | |
| 189 | N | 38.5 | Very low | 35 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | 91.8 | 135.8 | 158.1 | -47.9 | -51.7 | 0 | 0 | 0 | 116.6 | | |
| 190 | N | 34 | Very low | 35 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | | | cis | -163.8 | 146.7 | -10.8 | -114 | -19.7 | 0 | 0 | 0 | 112.3 | | |
| 191 | I | 32.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 136 Ų | 136 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | 72.5 | 127.5 | 135.7 | -65.9 | 166.6 | 0 | 0 | 0 | 121.6 | | |
| 192 | A | 32.7 | Very low | 34.8 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | 74.6 | 113 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 193 | I | 29.8 | Very low | 34.9 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | -58.8 | 139.6 | 149.9 | -60.7 | 152.3 | 0 | 0 | 0 | 110.4 | | |
| 194 | T | 36 | Very low | 34.8 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -149.7 | 129.5 | 142.9 | 13.9 | 0 | 0 | 0 | 0 | 109.9 | D196 | T194-D196 PolarHBondContact O-N 2.86Š|
| 195 | D | 32.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | -71.1 | 119.2 | 164.3 | -59.3 | -68.5 | 0 | 0 | 0 | 108.5 | | |
| 196 | D | 36.9 | Very low | 34.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | | -172.6 | 161.9 | 129.4 | -114.3 | -35 | 0 | 0 | 0 | 114.4 | T194 H198 | T194-D196 PolarHBondContact O-N 2.86Å; D196-H198 PolarHBondContact O-N 2.9Å |
| 197 | C | 28.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | -54.4 | 112.7 | -179 | -179.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 198 | H | 34 | Very low | 33.8 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 73% | 0.731 | 76% | 0.76 | S | S | * | * | | | trans | -153.5 | 119.1 | 141.5 | -120.7 | -77.4 | 0 | 0 | 0 | 113.9 | D196 T200 | D196-H198 PolarHBondContact O-N 2.9Å; H198-T200 PolarHBondContact O-N 3.35Å |
| 199 | I | 30.3 | Very low | 33.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 101.5 | 162.1 | -63.2 | 172.5 | 0 | 0 | 0 | 107.1 | | |
| 200 | T | 36.1 | Very low | 33.6 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | | | trans | -114.7 | 114.6 | 168.4 | 38.5 | 0 | 0 | 0 | 0 | 110 | H198 I202 | H198-T200 PolarHBondContact O-N 3.35Å; T200-I202 PolarHBondContact O-N 2.87Å |
| 201 | I | 30.7 | Very low | 34 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | trans | -74.8 | 91.8 | 178.6 | -60.6 | 167.4 | 0 | 0 | 0 | 107.7 | K203 | I201-K203 HydrophobicContact CG2-CG 4.46Å; I201-K203 PolarHBondContact O-N 2.92Å |
| 202 | I | 37.5 | Very low | 34.4 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | | | trans | -78.2 | 104.4 | 169.6 | -60.8 | -178.8 | 0 | 0 | 0 | 107.9 | T200 | T200-I202 PolarHBondContact O-N 2.87Š|
| 203 | K | 35.6 | Very low | 35 | Very low | 157 Ų | 157 | 142.1 Ų | 142.1 | 68% | 0.683 | 77% | 0.769 | S | S | * | * | | | trans | -73 | 168.5 | 166.3 | -72.9 | 179.7 | 172.6 | 175.9 | 0 | 110.7 | I201 | I201-K203 HydrophobicContact CG2-CG 4.46Å; I201-K203 PolarHBondContact O-N 2.92Å |
| 204 | D | 31 | Very low | 36 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | 70.4 | 92.8 | 156.2 | -51.4 | -33.2 | 0 | 0 | 0 | 117.1 | | |
| 205 | S | 34.1 | Very low | 36.6 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | | -149.7 | 122.8 | 129.6 | -173.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 206 | S | 32.5 | Very low | 37.9 | Very low | 108 Ų | 108 | 152.5 Ų | 152.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -75.1 | 127.6 | -177.4 | 51.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 207 | N | 37.1 | Very low | 38.9 | Very low | 163 Ų | 163 | 150.5 Ų | 150.5 | 87% | 0.872 | 77% | 0.773 | S | S | * | * | | | trans | -141.1 | 97.9 | 151.2 | -105.7 | -35.6 | 0 | 0 | 0 | 111.9 | T209 | N207-T209 PolarHBondContact O-N 3.33Š|
| 208 | S | 31.2 | Very low | 40.3 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 106.9 | 179.2 | 155.1 | 0 | 0 | 0 | 0 | 111 | | |
| 209 | T | 39.6 | Very low | 41.6 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -126.4 | 76.7 | 160.5 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | N207 T211 | N207-T209 PolarHBondContact O-N 3.33Å; T209-T211 PolarHBondContact O-N 2.85Å |
| 210 | N | 34.6 | Very low | 42.6 | Very low | 124 Ų | 124 | 158.4 Ų | 158.4 | 66% | 0.663 | 79% | 0.791 | S | S | * | * | | | trans | -81 | 75.2 | -174.5 | -168.3 | -7 | 0 | 0 | 0 | 112.4 | R212 | N210-R212 PolarHBondContact O-N 3.29Š|
| 211 | T | 41.1 | Very low | 43.5 | Very low | 113 Ų | 113 | 163 Ų | 163 | 69% | 0.693 | 81% | 0.805 | S | S | * | * | | | trans | -82.1 | 67.3 | 172.3 | 51 | 0 | 0 | 0 | 0 | 111.6 | T209 F213 | T209-T211 PolarHBondContact O-N 2.85Å; T211-F213 VanDerWaalsContact C-N 3.29Å; T211-F213 WeakPolarHBondContact O-CD2 3.29Å; T211-F213 PolarHBondContact O-N 3.34Å |
| 212 | R | 40.8 | Very low | 44.1 | Very low | 195 Ų | 195 | 165.1 Ų | 165.1 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | | | trans | -63.2 | 83.4 | 172.9 | -177.1 | -173.6 | -87.4 | -179 | -9.1 | 110.7 | N210 K214 | N210-R212 PolarHBondContact O-N 3.29Å; R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.39Å |
| 213 | F | 45 | Very low | 45 | Very low | 184 Ų | 184 | 163.5 Ų | 163.5 | 81% | 0.807 | 81% | 0.811 | S | S | * | * | | | trans | -61.8 | 92.1 | 171.3 | -81.9 | -81.1 | 0 | 0 | 0 | 110.8 | T211 R215 | T211-F213 VanDerWaalsContact C-N 3.29Å; T211-F213 WeakPolarHBondContact O-CD2 3.29Å; T211-F213 PolarHBondContact O-N 3.34Å; F213-R215 PolarHBondContact O-N 3.13Å |
| 214 | K | 50.2 | Low | 45.4 | Very low | 185 Ų | 185 | 163.3 Ų | 163.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -61 | 98.6 | 172.3 | -71 | -178.6 | 178.1 | 177.3 | 0 | 109.4 | R212 R216 | R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.39Å; K214-R216 PolarHBondContact O-N 2.95Å |
| 215 | R | 49.5 | Very low | 45.9 | Very low | 240 Ų | 240 | 159.3 Ų | 159.3 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | -62.5 | 115.9 | 168.5 | -72.6 | -178.3 | 169.5 | -179.6 | -3.2 | 108.8 | F213 | F213-R215 PolarHBondContact O-N 3.13Š|
| 216 | R | 59.5 | Low | 46.1 | Very low | 234 Ų | 234 | 163.5 Ų | 163.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -60.7 | 139.1 | 172.8 | -72 | -179.6 | 174.2 | 171.7 | -2.6 | 109.8 | K214 | K214-R216 PolarHBondContact O-N 2.95Š|
| 217 | P | 57.8 | Low | 46.5 | Very low | 122 Ų | 122 | 164 Ų | 164 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | | | trans | -67.7 | 135 | 172.6 | 27.9 | -32.9 | 0 | 0 | 0 | 110.4 | Q219 | P217-Q219 PolarHBondContact O-N 3.17Š|
| 218 | L | 57.8 | Low | 46.9 | Very low | 172 Ų | 172 | 164.5 Ų | 164.5 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -72.6 | 98.9 | 172.1 | -89.1 | 106.4 | 0 | 0 | 0 | 110.2 | R220 | L218-R220 PolarHBondContact O-N 3.44Š|
| 219 | Q | 60.8 | Low | 47.6 | Very low | 188 Ų | 188 | 166.7 Ų | 166.7 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -70.3 | 113.3 | 170.5 | -164.3 | 168.7 | 5.7 | 0 | 0 | 109 | P217 Q221 | P217-Q219 PolarHBondContact O-N 3.17Å; Q219-Q221 PolarHBondContact O-N 3.08Å |
| 220 | R | 52.4 | Low | 47.7 | Very low | 231 Ų | 231 | 168.8 Ų | 168.8 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -77.5 | 106.1 | 178.8 | -71.4 | -179.3 | 170 | -142.5 | 2.1 | 110 | L218 | L218-R220 PolarHBondContact O-N 3.44Š|
| 221 | Q | 54 | Low | 48.4 | Very low | 193 Ų | 193 | 168.3 Ų | 168.3 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 132.2 | 160.8 | -76.4 | 178.4 | -36.9 | 0 | 0 | 109.4 | Q219 | Q219-Q221 PolarHBondContact O-N 3.08Š|
| 222 | K | 44.8 | Very low | 48.5 | Very low | 196 Ų | 196 | 171.4 Ų | 171.4 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -92 | 120 | 166.1 | -62.7 | 175.1 | 179.7 | 177.3 | 0 | 106.8 | | |
| 223 | S | 56.7 | Low | 49 | Very low | 120 Ų | 120 | 167.7 Ų | 167.7 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 125.9 | 158.9 | 46.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 224 | N | 43.6 | Very low | 48.9 | Very low | 154 Ų | 154 | 166.8 Ų | 166.8 | 82% | 0.824 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 156.3 | 169.4 | -71.3 | -11.6 | 0 | 0 | 0 | 109.3 | | |
| 225 | G | 40.1 | Very low | 48.6 | Very low | 67 Ų | 67 | 164 Ų | 164 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | | | trans | 76.5 | 100.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 226 | F | 38.7 | Very low | 48 | Very low | 209 Ų | 209 | 158.5 Ų | 158.5 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | | | trans | -156.3 | 100.4 | 135 | -114.5 | -76.1 | 0 | 0 | 0 | 107.9 | | |
| 227 | T | 41.2 | Very low | 47.2 | Very low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.724 | 81% | 0.813 | S | S | * | * | | | trans | -86.1 | 169.7 | 156.7 | 40.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 228 | E | 46.3 | Very low | 46.5 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 71 | 114.8 | -177 | -49.3 | 173.3 | 166.1 | 0 | 0 | 111.6 | | |
| 229 | L | 44.9 | Very low | 45.7 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | cis | -150.3 | 106.9 | 48.9 | -79.5 | 150.5 | 0 | 0 | 0 | 110.6 | | |
| 230 | D | 41.9 | Very low | 44.6 | Very low | 171 Ų | 171 | 160.9 Ų | 160.9 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | -85.8 | 109.9 | 151.8 | -83.1 | -40.9 | 0 | 0 | 0 | 106.7 | | |
| 231 | T | 48.8 | Very low | 44.2 | Very low | 114 Ų | 114 | 158 Ų | 158 | 70% | 0.699 | 81% | 0.807 | S | S | * | * | | | trans | -151.8 | 105.4 | 170.1 | -37.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 232 | E | 42.7 | Very low | 43.5 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | trans | -69.3 | 140.2 | 173.2 | -65.4 | -161.7 | 143.6 | 0 | 0 | 110.2 | E234 | E232-E234 PolarHBondContact O-N 3.32Å; E232-E234 VanDerWaalsContact O-N 3.11Å |
| 233 | P | 51.2 | Low | 43.3 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -76.3 | 95.1 | 165.9 | 30.9 | -30.9 | 0 | 0 | 0 | 109 | V235 | P233-V235 WeakPolarHBondContact O-CG2 3.32Å; P233-V235 PolarHBondContact O-N 3.3Å; P233-V235 VanDerWaalsContact O-N 3.13Å |
| 234 | E | 43.6 | Very low | 42.4 | Very low | 165 Ų | 165 | 151.8 Ų | 151.8 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | | | trans | -63.8 | 109.8 | 171.9 | -167.6 | -179.4 | -130.4 | 0 | 0 | 109.7 | E232 N236 | E232-E234 PolarHBondContact O-N 3.32Å; E232-E234 VanDerWaalsContact O-N 3.11Å; E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 3.29Å |
| 235 | V | 43.1 | Very low | 42 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | -82.1 | 80.4 | -175.6 | -170.5 | 0 | 0 | 0 | 0 | 110 | P233 L237 | P233-V235 WeakPolarHBondContact O-CG2 3.32Å; P233-V235 PolarHBondContact O-N 3.3Å; P233-V235 VanDerWaalsContact O-N 3.13Å; V235-L237 PolarHBondContact O-N 3.06Å |
| 236 | N | 38.3 | Very low | 42 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 100.2 | 177.8 | -127.2 | -45.1 | 0 | 0 | 0 | 111 | E234 R238 | E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 3.29Å; N236-R238 PolarHBondContact O-N 3.19Å |
| 237 | L | 42.6 | Very low | 42 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | -75.2 | 95.2 | 172.6 | -82.3 | 164.4 | 0 | 0 | 0 | 110.2 | V235 | V235-L237 PolarHBondContact O-N 3.06Š|
| 238 | R | 42.2 | Very low | 42.1 | Very low | 208 Ų | 208 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -147.1 | 120.5 | 162.8 | -116.9 | 177 | -179.3 | -166.4 | -2.4 | 114 | N236 | N236-R238 PolarHBondContact O-N 3.19Š|
| 239 | E | 41.1 | Very low | 41.8 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | | | trans | 38.3 | 95.9 | 141 | -66.5 | 165 | 165.8 | 0 | 0 | 117.5 | | |
| 240 | R | 37.5 | Very low | 41.7 | Very low | 231 Ų | 231 | 143.2 Ų | 143.2 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | trans | -107.2 | 73.7 | 162.1 | -161 | 174.6 | -172.3 | 172.2 | 2.5 | 110.6 | | |
| 241 | L | 43.9 | Very low | 41.7 | Very low | 171 Ų | 171 | 141 Ų | 141 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -109.7 | 105.8 | 161.6 | -75.2 | 176.2 | 0 | 0 | 0 | 108.5 | | |
| 242 | T | 39.8 | Very low | 41.4 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 76% | 0.761 | S | S | * | * | | | trans | -143.9 | 135.1 | 175 | 53.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 243 | S | 40 | Very low | 41.5 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | cis | 179.5 | 138.6 | -11.3 | 39.5 | 0 | 0 | 0 | 0 | 105.6 | | |
| 244 | N | 38 | Very low | 41.1 | Very low | 162 Ų | 162 | 139.1 Ų | 139.1 | 87% | 0.866 | 75% | 0.749 | S | S | * | * | | | trans | -135.1 | 93.3 | 166 | -103.7 | -2.8 | 0 | 0 | 0 | 110.9 | | |
| 245 | S | 36.9 | Very low | 41 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | 58.4 | 132.5 | 137.4 | -56 | 0 | 0 | 0 | 0 | 122.6 | | |
| 246 | S | 39.6 | Very low | 40.8 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | trans | 69.4 | 140.1 | 161.3 | 69.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 247 | S | 38.1 | Very low | 41 | Very low | 107 Ų | 107 | 139.2 Ų | 139.2 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -167.2 | -171.8 | -13.3 | 46.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 248 | V | 42.6 | Very low | 41 | Very low | 121 Ų | 121 | 139.4 Ų | 139.4 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | 85.1 | 78.6 | 166 | -163.8 | 0 | 0 | 0 | 0 | 118.5 | | |
| 249 | T | 40.7 | Very low | 41.1 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | | 38.6 | 130.3 | 126.3 | 58.3 | 0 | 0 | 0 | 0 | 124 | | |
| 250 | N | 43.1 | Very low | 41.1 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | | | trans | 62.9 | 124.4 | 133.9 | -64.4 | 2.3 | 0 | 0 | 0 | 119 | | |
| 251 | N | 42.2 | Very low | 41.4 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | | | | -176.2 | 146.6 | 53.8 | -108.8 | -20.3 | 0 | 0 | 0 | 113.4 | | |
| 252 | N | 43.1 | Very low | 41.6 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 64% | 0.642 | 76% | 0.76 | S | S | * | * | | | trans | 65.3 | 117.5 | 135.2 | -61.8 | -11.1 | 0 | 0 | 0 | 124.8 | | |
| 253 | N | 43.7 | Very low | 41.3 | Very low | 124 Ų | 124 | 142 Ų | 142 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | | 92.6 | 106.2 | 123.3 | -64.5 | -3.4 | 0 | 0 | 0 | 123.1 | | |
| 254 | N | 42.5 | Very low | 41.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | | 80.3 | 115.6 | 120.6 | -59 | -11.7 | 0 | 0 | 0 | 122.8 | | |
| 255 | N | 41.2 | Very low | 41.3 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 63.5 | 116.5 | 135.5 | -57.2 | -16.8 | 0 | 0 | 0 | 121.3 | | |
| 256 | L | 39.3 | Very low | 41.9 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | | -172.7 | 173.6 | 122.4 | -117.4 | 75.5 | 0 | 0 | 0 | 110 | | |
| 257 | P | 43.9 | Very low | 42 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | | | trans | -124.2 | -178.4 | -137 | 27.1 | -1.3 | 0 | 0 | 0 | 116.2 | | |
| 258 | I | 40.7 | Very low | 42 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -36.4 | 126 | 177.3 | -59.1 | 159.2 | 0 | 0 | 0 | 114.7 | | |
| 259 | Q | 44.5 | Very low | 41.9 | Very low | 168 Ų | 168 | 154 Ų | 154 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | trans | -108.4 | 139 | 159.4 | -75.2 | -169.9 | -3.1 | 0 | 0 | 111.5 | | |
| 260 | K | 41.5 | Very low | 41.8 | Very low | 205 Ų | 205 | 154.1 Ų | 154.1 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 124.8 | 175.3 | -68.3 | 174.6 | 177 | 174.8 | 0 | 110.3 | | |
| 261 | F | 44.2 | Very low | 41.5 | Very low | 204 Ų | 204 | 155.9 Ų | 155.9 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 132.7 | 165.4 | -84 | -85.5 | 0 | 0 | 0 | 111.4 | | |
| 262 | K | 47.3 | Very low | 41.3 | Very low | 192 Ų | 192 | 158.2 Ų | 158.2 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 135.2 | -175.7 | -168 | 177.9 | -176.6 | -177.7 | 0 | 108.2 | | |
| 263 | L | 34.8 | Very low | 41 | Very low | 175 Ų | 175 | 158.4 Ų | 158.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 139 | 174.8 | -88 | 89.3 | 0 | 0 | 0 | 110.7 | | |
| 264 | I | 40.9 | Very low | 40.5 | Very low | 157 Ų | 157 | 163.7 Ų | 163.7 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | | | trans | -127 | 116.1 | 169 | -60.7 | 176.8 | 0 | 0 | 0 | 108 | | |
| 265 | T | 37.2 | Very low | 40.3 | Very low | 123 Ų | 123 | 166.3 Ų | 166.3 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 130.4 | 162.5 | 26.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 266 | P | 48.8 | Very low | 39.9 | Very low | 122 Ų | 122 | 164 Ų | 164 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 144 | 171.8 | 30.6 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 267 | N | 42.1 | Very low | 40 | Very low | 158 Ų | 158 | 163.2 Ų | 163.2 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 162.8 | -177.5 | -75.6 | -30.8 | 0 | 0 | 0 | 113.2 | | |
| 268 | K | 38.5 | Very low | 39.6 | Very low | 206 Ų | 206 | 164.9 Ų | 164.9 | 90% | 0.896 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 133.5 | 160.9 | -64.7 | 174.9 | 178.5 | 175.6 | 0 | 109.2 | | |
| 269 | E | 40 | Very low | 39.5 | Very low | 196 Ų | 196 | 164.8 Ų | 164.8 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | -128.1 | 152.6 | 158.4 | -80.8 | -173 | 160.7 | 0 | 0 | 110.7 | | |
| 270 | S | 37.2 | Very low | 39.2 | Very low | 113 Ų | 113 | 162.4 Ų | 162.4 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | | | trans | -109.9 | 134.8 | -168.3 | 54 | 0 | 0 | 0 | 0 | 111.7 | | |
| 271 | I | 38.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 160.2 Ų | 160.2 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | | | trans | -132.8 | 143.1 | 161.9 | -58.7 | -176.7 | 0 | 0 | 0 | 109.3 | | |
| 272 | Q | 37.6 | Very low | 38.9 | Very low | 176 Ų | 176 | 156.6 Ų | 156.6 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 163.4 | -169.9 | -69.4 | -175.7 | -10.8 | 0 | 0 | 114.1 | | |
| 273 | P | 35.8 | Very low | 38.5 | Very low | 124 Ų | 124 | 155.1 Ų | 155.1 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 139 | 173.9 | 34.2 | -33 | 0 | 0 | 0 | 112.5 | | |
| 274 | Y | 34.7 | Very low | 38.8 | Very low | 234 Ų | 234 | 152.4 Ų | 152.4 | 92% | 0.918 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 143.7 | 168.3 | -106.3 | -95.7 | 0 | 0 | 0 | 111.5 | | |
| 275 | Q | 37.7 | Very low | 38.7 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 155.6 | 174.8 | -69.3 | -175.6 | -52.1 | 0 | 0 | 112 | | |
| 276 | S | 32.8 | Very low | 38.8 | Very low | 92 Ų | 92 | 153.3 Ų | 153.3 | 64% | 0.643 | 81% | 0.805 | S | S | * | * | | | trans | 44.2 | 125.1 | 140.2 | -177.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 277 | N | 40.7 | Very low | 38.3 | Very low | 155 Ų | 155 | 156.3 Ų | 156.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | | | | -153 | 142.9 | 115.8 | -91.1 | -22.6 | 0 | 0 | 0 | 110.5 | | |
| 278 | N | 36.7 | Very low | 38.2 | Very low | 144 Ų | 144 | 158 Ų | 158 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | | | trans | -86.3 | 141.7 | 172.4 | -65 | -37.1 | 0 | 0 | 0 | 109 | | |
| 279 | D | 38.7 | Very low | 38 | Very low | 161 Ų | 161 | 153.4 Ų | 153.4 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -134.4 | 122.2 | 156.7 | -89.5 | -48.3 | 0 | 0 | 0 | 110 | | |
| 280 | T | 36.9 | Very low | 38 | Very low | 119 Ų | 119 | 150.5 Ų | 150.5 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | | | trans | -99.6 | 118.6 | -177 | -46.1 | 0 | 0 | 0 | 0 | 108.8 | I282 | T280-I282 HydrophobicContact CG2-CG1 4.32Š|
| 281 | I | 39.5 | Very low | 37.9 | Very low | 158 Ų | 158 | 152 Ų | 152 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -116.7 | 101.8 | 168.4 | -60.3 | -178.4 | 0 | 0 | 0 | 109 | | |
| 282 | I | 39.8 | Very low | 38 | Very low | 128 Ų | 128 | 150.8 Ų | 150.8 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | trans | -83.3 | 132.6 | 163.3 | -65 | 168.2 | 0 | 0 | 0 | 106.9 | T280 | T280-I282 HydrophobicContact CG2-CG1 4.32Š|
| 283 | N | 40.2 | Very low | 37.9 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -146.4 | 147.3 | 148.6 | -136.2 | -15.2 | 0 | 0 | 0 | 112.3 | | |
| 284 | N | 39.8 | Very low | 37.9 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 63% | 0.631 | 79% | 0.786 | S | S | * | * | | | trans | -108 | 167.5 | -154.7 | -85.4 | -33.3 | 0 | 0 | 0 | 114.3 | | |
| 285 | N | 39.8 | Very low | 38 | Very low | 140 Ų | 140 | 147.1 Ų | 147.1 | 75% | 0.749 | 77% | 0.773 | S | S | * | * | | | trans | 71 | 130 | 153.7 | -59.7 | -23.3 | 0 | 0 | 0 | 117.1 | | |
| 286 | N | 40 | Very low | 38.1 | Very low | 159 Ų | 159 | 144.9 Ų | 144.9 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | | -154.2 | 158.2 | 53.2 | -102 | -41.1 | 0 | 0 | 0 | 114.7 | | |
| 287 | K | 37.7 | Very low | 38.3 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | | | trans | -85.5 | 154.8 | 177 | -63 | 171.7 | 176.4 | 175.7 | 0 | 112 | | |
| 288 | H | 39.7 | Very low | 38 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | | | trans | -150.8 | 136.2 | 131.5 | -120.5 | -75.8 | 0 | 0 | 0 | 111.9 | | |
| 289 | T | 34.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 146.9 Ų | 146.9 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | | | trans | -116.9 | 149.8 | -176.3 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 290 | T | 39.6 | Very low | 37.8 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 83% | 0.828 | 74% | 0.743 | S | S | * | * | | | trans | 160.3 | 114.2 | 136.4 | 41.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 291 | N | 35.9 | Very low | 37.8 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | | 61.3 | 116.7 | 79.8 | -102.6 | 18.6 | 0 | 0 | 0 | 116.4 | | |
| 292 | N | 39.3 | Very low | 37.4 | Very low | 152 Ų | 152 | 147 Ų | 147 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | | 177.1 | 156.5 | 112.7 | -87.2 | -19.6 | 0 | 0 | 0 | 114.7 | | |
| 293 | N | 36 | Very low | 37 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | | | trans | -97.6 | 154.5 | -170.3 | -53.2 | -52 | 0 | 0 | 0 | 114.2 | | |
| 294 | H | 36.3 | Very low | 36.4 | Very low | 170 Ų | 170 | 144.5 Ų | 144.5 | 79% | 0.787 | 74% | 0.742 | S | S | * | * | | | trans | 179.6 | 163.6 | 134.7 | -107.7 | 53.2 | 0 | 0 | 0 | 110.5 | | |
| 295 | H | 37.2 | Very low | 36.2 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 65% | 0.648 | 75% | 0.753 | S | S | * | * | | | cis | 169.5 | 158.5 | -34.4 | -154.6 | -54.6 | 0 | 0 | 0 | 105.7 | | |
| 296 | H | 39.2 | Very low | 35.6 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 61% | 0.611 | 76% | 0.755 | S | S | * | * | | | trans | 106.6 | 111.1 | 169.6 | -67.1 | -81.1 | 0 | 0 | 0 | 115.5 | | |
| 297 | Q | 36.2 | Very low | 35.3 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 68% | 0.682 | 75% | 0.749 | S | S | * | * | | | | 76.7 | 145.9 | 75 | -75.4 | -171.9 | -17.9 | 0 | 0 | 112.2 | | |
| 298 | L | 35 | Very low | 34.8 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 60% | 0.597 | 75% | 0.748 | S | S | * | * | | | cis | -164.1 | 150.8 | -0.8 | -113.7 | 163.6 | 0 | 0 | 0 | 107.8 | | |
| 299 | H | 38.2 | Very low | 34.2 | Very low | 172 Ų | 172 | 140 Ų | 140 | 80% | 0.796 | 74% | 0.739 | S | S | * | * | | | | 172.3 | 152.5 | 118.5 | -103.8 | -61.4 | 0 | 0 | 0 | 115 | | |
| 300 | D | 33.4 | Very low | 34.2 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 62% | 0.62 | 75% | 0.746 | S | S | * | * | | | trans | -89.2 | 172.8 | -169.1 | -38.2 | -92.8 | 0 | 0 | 0 | 114.1 | | |
| 301 | I | 36 | Very low | 33.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 88% | 0.877 | 74% | 0.742 | S | S | * | * | | | | -171 | 139.8 | 113.9 | -92.5 | 153.3 | 0 | 0 | 0 | 111.3 | | |
| 302 | H | 30.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 139 Ų | 139 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | | | trans | -60.2 | 152.6 | 177.4 | -89.4 | -111.7 | 0 | 0 | 0 | 115.5 | | |
| 303 | T | 33 | Very low | 33.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 85% | 0.853 | 74% | 0.74 | S | S | * | * | | | | -154.5 | 144.9 | 121.2 | -15.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 304 | T | 27.5 | Very low | 33.2 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 60% | 0.601 | 74% | 0.74 | S | S | * | * | | | trans | -135.2 | 123.2 | -171.9 | -48.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 305 | Y | 34.8 | Very low | 33.2 | Very low | 221 Ų | 221 | 138 Ų | 138 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | | | trans | -157.7 | 113.7 | 161.9 | -83.6 | -78 | 0 | 0 | 0 | 106.1 | | |
| 306 | L | 28.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | cis | 87 | 85.8 | 38 | -155.7 | 113.5 | 0 | 0 | 0 | 114.4 | | |
| 307 | S | 32.3 | Very low | 33.1 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | | | trans | 177 | 115.3 | 146.4 | 26 | 0 | 0 | 0 | 0 | 108.3 | | |
| 308 | T | 27.3 | Very low | 33 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 80% | 0.798 | 76% | 0.757 | S | S | * | * | | | | 48.5 | 126.6 | 76.3 | 64.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 309 | S | 28.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | cis | -173.3 | -176 | 17.3 | 31.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 310 | L | 34.5 | Very low | 32.9 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 81.9 | 113.6 | 178.4 | -58.2 | 133.7 | 0 | 0 | 0 | 113.3 | | |
| 311 | S | 30 | Very low | 33 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | cis | 58.6 | 131.2 | 40.4 | 96.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 312 | S | 32.7 | Very low | 32.8 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -160.3 | 174.7 | 3.6 | 54.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 313 | I | 36.5 | Very low | 33.2 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 82% | 0.821 | 79% | 0.788 | S | S | * | * | | | trans | 143 | 93.4 | 150.3 | -71.7 | 155.3 | 0 | 0 | 0 | 109.7 | | |
| 314 | N | 30.7 | Very low | 33.5 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | -84.9 | 148.3 | 147.7 | -78.2 | -25.5 | 0 | 0 | 0 | 107.7 | | |
| 315 | D | 36.1 | Very low | 33.8 | Very low | 142 Ų | 142 | 147.3 Ų | 147.3 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | | 169.2 | 158.7 | 118.6 | -93.1 | -11.2 | 0 | 0 | 0 | 114.7 | | |
| 316 | K | 38 | Very low | 33.8 | Very low | 188 Ų | 188 | 143.9 Ų | 143.9 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | | | trans | 81.5 | 97.5 | 171 | -62.2 | 165.8 | -172.4 | 173.5 | 0 | 115.3 | | |
| 317 | I | 36.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | | | cis | 76.3 | 109.3 | 49.8 | -54.5 | 177.3 | 0 | 0 | 0 | 114 | | |
| 318 | N | 33.4 | Very low | 33.8 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | 48.8 | 118.1 | 151.4 | -57.3 | -13.5 | 0 | 0 | 0 | 120.7 | | |
| 319 | K | 37.4 | Very low | 34.2 | Very low | 208 Ų | 208 | 144.2 Ų | 144.2 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | | -154 | 125.7 | 116.3 | -111 | 160.3 | -172.5 | 175.2 | 0 | 113.5 | | |
| 320 | S | 32.5 | Very low | 34.2 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -52.5 | 146.2 | 173.4 | 35.5 | 0 | 0 | 0 | 0 | 115.4 | | |
| 321 | Q | 36.2 | Very low | 34.1 | Very low | 199 Ų | 199 | 147.1 Ų | 147.1 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -151.9 | 130.9 | 135.8 | -114.3 | 170.5 | 47.7 | 0 | 0 | 111.2 | | |
| 322 | S | 32 | Very low | 34.1 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -85.8 | 133.1 | -177.2 | 47.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 323 | I | 39.6 | Very low | 34.1 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | | | trans | -119.2 | 124.4 | 165.8 | -60 | -178.5 | 0 | 0 | 0 | 107.7 | | |
| 324 | K | 39.5 | Very low | 33.8 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -69.9 | 144.9 | -172.4 | -60.9 | 173.1 | -179.5 | 177 | 0 | 111 | I326 | K324-I326 PolarHBondContact O-N 2.94Š|
| 325 | P | 33.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | | | trans | -68.9 | 121.2 | 167.5 | 29.3 | -32.3 | 0 | 0 | 0 | 109.5 | T327 | P325-T327 PolarHBondContact O-N 3.44Š|
| 326 | I | 34.1 | Very low | 33.7 | Very low | 149 Ų | 149 | 151 Ų | 151 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -82.7 | 110.2 | 170.8 | -62.5 | 177.6 | 0 | 0 | 0 | 108 | K324 C328 | K324-I326 PolarHBondContact O-N 2.94Å; I326-C328 PolarHBondContact O-N 2.83Å |
| 327 | T | 30.9 | Very low | 33.2 | Very low | 126 Ų | 126 | 147.7 Ų | 147.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | trans | -77.3 | 102.1 | 172.8 | 31.9 | 0 | 0 | 0 | 0 | 110.7 | P325 | P325-T327 PolarHBondContact O-N 3.44Š|
| 328 | C | 31.3 | Very low | 33 | Very low | 105 Ų | 105 | 149 Ų | 149 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | | | trans | -91.7 | 111.2 | 170.5 | -66.3 | 0 | 0 | 0 | 0 | 110.4 | I326 | I326-C328 PolarHBondContact O-N 2.83Š|
| 329 | N | 34.5 | Very low | 33 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -71.8 | 135.7 | 176.3 | -74.6 | -31.9 | 0 | 0 | 0 | 111.8 | | |
| 330 | Y | 28.2 | Very low | 32.5 | Very low | 204 Ų | 204 | 148 Ų | 148 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -70.4 | 159.5 | -178.9 | -66.5 | -97.2 | 0 | 0 | 0 | 114 | | |
| 331 | P | 31.8 | Very low | 32.5 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -94.6 | 104.4 | 135.4 | 32.1 | -26.5 | 0 | 0 | 0 | 109.8 | I333 | P331-I333 PolarHBondContact O-N 2.8Š|
| 332 | T | 32 | Very low | 32.2 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | trans | -71.2 | 98.1 | -178.5 | -24.4 | 0 | 0 | 0 | 0 | 110.9 | K334 | T332-K334 PolarHBondContact O-N 2.99Š|
| 333 | I | 32.7 | Very low | 32.3 | Very low | 148 Ų | 148 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -70.1 | 99 | 174.8 | -57.8 | 179.6 | 0 | 0 | 0 | 109 | P331 V335 | P331-I333 PolarHBondContact O-N 2.8Å; I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CG2-CG2 3.97Å; I333-V335 PolarHBondContact O-N 3.3Å |
| 334 | K | 29.4 | Very low | 31.9 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | -67.5 | 84.1 | 170.3 | -72.4 | -177.6 | 177.1 | 177.7 | 0 | 110.2 | T332 K336 | T332-K334 PolarHBondContact O-N 2.99Å; K334-K336 PolarHBondContact O-N 3.04Å |
| 335 | V | 33.1 | Very low | 31.7 | Very low | 124 Ų | 124 | 145 Ų | 145 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -70.4 | 100.4 | 166.6 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | I333 S337 | I333-V335 VanDerWaalsContact C-N 3.29Å; I333-V335 HydrophobicContact CG2-CG2 3.97Å; I333-V335 PolarHBondContact O-N 3.3Å; V335-S337 PolarHBondContact O-N 3.11Å; V335-S337 VanDerWaalsContact O-N 3.11Å |
| 336 | K | 30.5 | Very low | 31.8 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | | | trans | -63.6 | 107 | 169.6 | -78.8 | 166.5 | 137.1 | -171.1 | 0 | 109 | K334 Y338 | K334-K336 PolarHBondContact O-N 3.04Å; K336-Y338 HydrophobicContact CB-CD2 3.94Å; K336-Y338 HydrophobicContact CB-CE2 3.66Å; K336-Y338 HydrophobicContact CD-CE2 3.91Å; K336-Y338 HydrophobicContact CG-CE2 4.17Å; K336-Y338 PolarHBondContact O-N 3.45Å |
| 337 | S | 28.9 | Very low | 31.8 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -70.1 | 113.5 | 166 | 45.6 | 0 | 0 | 0 | 0 | 109.1 | V335 | V335-S337 PolarHBondContact O-N 3.11Å; V335-S337 VanDerWaalsContact O-N 3.11Å |
| 338 | Y | 31.1 | Very low | 32.1 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 66% | 0.655 | 76% | 0.759 | S | S | * | * | | | trans | -115.9 | 145.7 | 168.2 | -76.4 | -69.5 | 0 | 0 | 0 | 110.2 | K336 | K336-Y338 HydrophobicContact CB-CD2 3.94Å; K336-Y338 HydrophobicContact CB-CE2 3.66Å; K336-Y338 HydrophobicContact CD-CE2 3.91Å; K336-Y338 HydrophobicContact CG-CE2 4.17Å; K336-Y338 PolarHBondContact O-N 3.45Å |
| 339 | H | 33.2 | Very low | 32.4 | Very low | 175 Ų | 175 | 148.3 Ų | 148.3 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | trans | 78.1 | 84 | 179.1 | -57 | -28.4 | 0 | 0 | 0 | 116.8 | I341 | H339-I341 PolarHBondContact O-N 2.88Š|
| 340 | N | 28.5 | Very low | 32.6 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | | | trans | -35.2 | 120.4 | 130.7 | -87.9 | -21.4 | 0 | 0 | 0 | 110.4 | | |
| 341 | I | 32 | Very low | 33.2 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -101.4 | 102.1 | 152.4 | -63.5 | 179.4 | 0 | 0 | 0 | 105.3 | H339 T343 | H339-I341 PolarHBondContact O-N 2.88Å; I341-T343 PolarHBondContact O-N 2.87Å |
| 342 | Q | 30.4 | Very low | 33.5 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -73.9 | 106.2 | 179.3 | -163.1 | 170.9 | 15.8 | 0 | 0 | 108 | I344 | Q342-I344 PolarHBondContact O-N 3.42Š|
| 343 | T | 32.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | -70.1 | 94.7 | 178.4 | -41.7 | 0 | 0 | 0 | 0 | 109.2 | I341 N345 | I341-T343 PolarHBondContact O-N 2.87Å; T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.44Å |
| 344 | I | 33.1 | Very low | 34 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | -69.1 | 95.7 | 172.4 | -60.8 | 177 | 0 | 0 | 0 | 107.6 | Q342 N346 | Q342-I344 PolarHBondContact O-N 3.42Å; I344-N346 PolarHBondContact O-N 3.26Å; I344-N346 VanDerWaalsContact O-N 3.09Å |
| 345 | N | 34.3 | Very low | 34.3 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | | | trans | -82.4 | 83.4 | 178.9 | -154.8 | 32.1 | 0 | 0 | 0 | 108.7 | T343 N347 | T343-N345 VanDerWaalsContact C-N 3.34Å; T343-N345 PolarHBondContact O-N 3.44Å; N345-N347 VanDerWaalsContact C-N 3.3Å; N345-N347 PolarHBondContact O-N 2.93Å |
| 346 | N | 35.6 | Very low | 34.4 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | | | trans | -70 | 88 | 176 | -102.8 | 6.4 | 0 | 0 | 0 | 110.1 | I344 N348 | I344-N346 PolarHBondContact O-N 3.26Å; I344-N346 VanDerWaalsContact O-N 3.09Å; N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 2.91Å |
| 347 | N | 33.9 | Very low | 34.5 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | trans | -63.8 | 91.2 | 162.2 | -82.5 | -8.8 | 0 | 0 | 0 | 109.2 | N345 | N345-N347 VanDerWaalsContact C-N 3.3Å; N345-N347 PolarHBondContact O-N 2.93Å |
| 348 | N | 38.4 | Very low | 34.9 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | | | trans | -112.2 | 98.4 | 157.1 | -98.6 | -9.7 | 0 | 0 | 0 | 108.7 | N346 N350 | N346-N348 VanDerWaalsContact C-N 3.31Å; N346-N348 PolarHBondContact O-N 2.91Å; N348-N350 PolarHBondContact O-N 2.92Å |
| 349 | N | 35.8 | Very low | 35.1 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | | | trans | -57.9 | 120.5 | 163.2 | -74.2 | -26.8 | 0 | 0 | 0 | 108.8 | | |
| 350 | N | 40.2 | Very low | 35.1 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -169.6 | 106.5 | 133.8 | -97.8 | -28.4 | 0 | 0 | 0 | 112 | N348 | N348-N350 PolarHBondContact O-N 2.92Š|
| 351 | N | 39.6 | Very low | 35.5 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | | | trans | 39.5 | 121.6 | 136.6 | -65.1 | -11.2 | 0 | 0 | 0 | 121.1 | | |
| 352 | N | 39.4 | Very low | 35.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | | | trans | 87.8 | 140.4 | 138.6 | -62.6 | -13.6 | 0 | 0 | 0 | 120.2 | | |
| 353 | N | 39.6 | Very low | 35.8 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | 80.6 | 78.9 | 162.9 | -57.7 | -14.8 | 0 | 0 | 0 | 117.8 | N355 | N353-N355 PolarHBondContact O-N 3.49Š|
| 354 | N | 33.8 | Very low | 35.8 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | | 17.1 | 99.7 | 121.4 | -64.4 | -12.8 | 0 | 0 | 0 | 116.1 | | |
| 355 | N | 37.2 | Very low | 35.9 | Very low | 148 Ų | 148 | 150 Ų | 150 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -172.9 | 94.6 | 140.7 | -95.2 | -32 | 0 | 0 | 0 | 110.3 | N353 V357 | N353-N355 PolarHBondContact O-N 3.49Å; N355-V357 PolarHBondContact O-N 3.35Å |
| 356 | N | 33.7 | Very low | 35.7 | Very low | 169 Ų | 169 | 153.1 Ų | 153.1 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | | | trans | -73.7 | 72.2 | 177.1 | -80.6 | -18.9 | 0 | 0 | 0 | 111.8 | I358 | N356-I358 PolarHBondContact O-N 2.91Š|
| 357 | V | 33.6 | Very low | 35.5 | Very low | 114 Ų | 114 | 156 Ų | 156 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | -88.6 | 92.5 | 170.2 | -177.6 | 0 | 0 | 0 | 0 | 109 | N355 K359 | N355-V357 PolarHBondContact O-N 3.35Å; V357-K359 PolarHBondContact O-N 3.41Å |
| 358 | I | 36.4 | Very low | 35.6 | Very low | 162 Ų | 162 | 155.4 Ų | 155.4 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -67.8 | 97.7 | 172.1 | -59.1 | 176.7 | 0 | 0 | 0 | 108.4 | N356 S360 | N356-I358 PolarHBondContact O-N 2.91Å; I358-S360 PolarHBondContact O-N 3.38Å |
| 359 | K | 35.5 | Very low | 35.1 | Very low | 184 Ų | 184 | 159.2 Ų | 159.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -63.8 | 124.7 | 170.3 | -81 | -179.2 | 175.4 | 174.7 | 0 | 109.6 | V357 I361 | V357-K359 PolarHBondContact O-N 3.41Å; K359-I361 PolarHBondContact O-N 3.05Å |
| 360 | S | 34.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -67.6 | 112.2 | 175 | 41.6 | 0 | 0 | 0 | 0 | 111 | I358 N362 | I358-S360 PolarHBondContact O-N 3.38Å; S360-N362 PolarHBondContact O-N 2.87Å |
| 361 | I | 35.3 | Very low | 34.4 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | | | trans | -73.4 | 112.1 | 173.7 | -62.3 | 177 | 0 | 0 | 0 | 108.5 | K359 R363 | K359-I361 PolarHBondContact O-N 3.05Å; I361-R363 VanDerWaalsContact C-N 3.29Å; I361-R363 HydrophobicContact CG2-CG 3.94Å; I361-R363 PolarHBondContact O-N 2.96Å |
| 362 | N | 34.7 | Very low | 34.1 | Very low | 148 Ų | 148 | 155.4 Ų | 155.4 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -74.1 | 75.7 | -177.1 | -160.2 | -6.8 | 0 | 0 | 0 | 111.2 | S360 R364 | S360-N362 PolarHBondContact O-N 2.87Å; N362-R364 VanDerWaalsContact C-N 3.28Å; N362-R364 PolarHBondContact O-N 2.93Å |
| 363 | R | 35.4 | Very low | 33.7 | Very low | 229 Ų | 229 | 154.8 Ų | 154.8 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | -74.4 | 75.2 | 179.6 | -69.8 | -166.5 | 177.7 | -162.8 | 0.1 | 112 | I361 | I361-R363 VanDerWaalsContact C-N 3.29Å; I361-R363 HydrophobicContact CG2-CG 3.94Å; I361-R363 PolarHBondContact O-N 2.96Å |
| 364 | R | 31.6 | Very low | 33.4 | Very low | 214 Ų | 214 | 154.9 Ų | 154.9 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | -103.3 | 141.3 | 162.3 | -151.5 | 179.5 | -155.7 | -162.9 | 6.1 | 108.1 | N362 | N362-R364 VanDerWaalsContact C-N 3.28Å; N362-R364 PolarHBondContact O-N 2.93Å |
| 365 | T | 35.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 154.9 Ų | 154.9 | 63% | 0.632 | 78% | 0.775 | S | S | * | * | | | trans | 64.4 | 140.8 | -169.5 | 73.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 366 | Y | 30.9 | Very low | 33.2 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 76% | 0.761 | 77% | 0.771 | S | S | * | * | | | cis | -132 | 138.5 | 9.3 | -64.8 | -100.2 | 0 | 0 | 0 | 110.9 | | |
| 367 | M | 30.6 | Very low | 33.2 | Very low | 198 Ų | 198 | 151.7 Ų | 151.7 | 98% | 0.975 | 76% | 0.763 | S | S | * | * | | | trans | -132 | 81.8 | 153.4 | -88.8 | -146.2 | 153.7 | 0 | 0 | 108.9 | | |
| 368 | T | 35.4 | Very low | 33.3 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -66 | 132.7 | 163.2 | 35.4 | 0 | 0 | 0 | 0 | 109.1 | S370 | T368-S370 PolarHBondContact O-N 3.05Å; T368-S370 VanDerWaalsContact O-N 3.13Å |
| 369 | R | 28.5 | Very low | 33.2 | Very low | 231 Ų | 231 | 153.6 Ų | 153.6 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | -64 | 109.8 | 170.2 | -86.5 | 174.6 | 158.3 | -179 | -8.5 | 109.3 | T371 | R369-T371 VanDerWaalsContact C-N 3.32Å; R369-T371 PolarHBondContact O-N 3.42Å |
| 370 | S | 30.8 | Very low | 33.3 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -83.3 | 78.2 | 159 | 42.9 | 0 | 0 | 0 | 0 | 109.7 | T368 N372 | T368-S370 PolarHBondContact O-N 3.05Å; T368-S370 VanDerWaalsContact O-N 3.13Å; S370-N372 PolarHBondContact O-N 2.93Å |
| 371 | T | 30.5 | Very low | 33.5 | Very low | 117 Ų | 117 | 154 Ų | 154 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -78.2 | 73 | 162.3 | 46.5 | 0 | 0 | 0 | 0 | 108.9 | R369 | R369-T371 VanDerWaalsContact C-N 3.32Å; R369-T371 PolarHBondContact O-N 3.42Å |
| 372 | N | 33.9 | Very low | 33.3 | Very low | 128 Ų | 128 | 157.4 Ų | 157.4 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | trans | -103.2 | 105.4 | 175.7 | -79.1 | -1.4 | 0 | 0 | 0 | 110.4 | S370 | S370-N372 PolarHBondContact O-N 2.93Š|
| 373 | L | 30.7 | Very low | 33.3 | Very low | 131 Ų | 131 | 157.4 Ų | 157.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | | | trans | 40.1 | 92.7 | 140.3 | -60.4 | 120.4 | 0 | 0 | 0 | 116.9 | H375 | L373-H375 VanDerWaalsContact CD2-CD2 3.5Å; L373-H375 WeakPolarHBondContact CD2-CD2 3.34Å |
| 374 | I | 32.2 | Very low | 33.4 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | -99.5 | 101.6 | 135.6 | -61.4 | 176.4 | 0 | 0 | 0 | 104.9 | D376 | I374-D376 WeakPolarHBondContact CG2-OD1 3.24Å; I374-D376 PolarHBondContact O-N 3.16Å |
| 375 | H | 32.6 | Very low | 33.5 | Very low | 153 Ų | 153 | 152.2 Ų | 152.2 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -78.6 | 95.5 | 160.3 | -98.8 | -70.5 | 0 | 0 | 0 | 106.1 | L373 T377 | L373-H375 VanDerWaalsContact CD2-CD2 3.5Å; L373-H375 WeakPolarHBondContact CD2-CD2 3.34Å; H375-T377 PolarHBondContact O-N 3.08Å |
| 376 | D | 35 | Very low | 33.5 | Very low | 133 Ų | 133 | 154.5 Ų | 154.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | -70.1 | 110.5 | 159 | -76.1 | -33 | 0 | 0 | 0 | 106.8 | I374 L378 | I374-D376 WeakPolarHBondContact CG2-OD1 3.24Å; I374-D376 PolarHBondContact O-N 3.16Å; D376-L378 PolarHBondContact O-N 3.18Å; D376-L378 VanDerWaalsContact O-N 3.16Å |
| 377 | T | 32.8 | Very low | 33.8 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -75.1 | 100.1 | 175.8 | -40.6 | 0 | 0 | 0 | 0 | 107.9 | H375 | H375-T377 PolarHBondContact O-N 3.08Š|
| 378 | L | 37.2 | Very low | 34.2 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -116.6 | 113.2 | 165.5 | -73.8 | 175.4 | 0 | 0 | 0 | 108.1 | D376 E380 | D376-L378 PolarHBondContact O-N 3.18Å; D376-L378 VanDerWaalsContact O-N 3.16Å; L378-E380 PolarHBondContact O-N 3.15Å |
| 379 | D | 34.5 | Very low | 34.3 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | trans | -66.3 | 120.6 | 174.2 | -59.6 | -63.5 | 0 | 0 | 0 | 110.2 | | |
| 380 | E | 36.4 | Very low | 34.6 | Very low | 184 Ų | 184 | 148.4 Ų | 148.4 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | -142.8 | 145.8 | 144.8 | -82.4 | -149.4 | 161.4 | 0 | 0 | 110 | L378 | L378-E380 PolarHBondContact O-N 3.15Š|
| 381 | P | 39.4 | Very low | 35 | Very low | 124 Ų | 124 | 153.7 Ų | 153.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | -80.4 | 162.4 | -168.8 | 32.3 | -36.3 | 0 | 0 | 0 | 114.2 | | |
| 382 | Y | 30.4 | Very low | 35.2 | Very low | 212 Ų | 212 | 155 Ų | 155 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | | | trans | -58.8 | 139.3 | 177.5 | -76.5 | -108.3 | 0 | 0 | 0 | 113.6 | | |
| 383 | D | 36.4 | Very low | 35.4 | Very low | 148 Ų | 148 | 155.6 Ų | 155.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -128.8 | 122.9 | 150.6 | -110.9 | -25.8 | 0 | 0 | 0 | 109.8 | | |
| 384 | N | 37.1 | Very low | 35.7 | Very low | 131 Ų | 131 | 155.7 Ų | 155.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | -85.3 | 121.5 | -177.9 | -80.5 | -48.2 | 0 | 0 | 0 | 111.1 | | |
| 385 | Y | 33.5 | Very low | 35.9 | Very low | 204 Ų | 204 | 156.7 Ų | 156.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -130.8 | 103.6 | 158.9 | -78.6 | -82.1 | 0 | 0 | 0 | 111.3 | | |
| 386 | I | 35.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 156.6 Ų | 156.6 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | -79.2 | 124.9 | 165.4 | -63.1 | 170.3 | 0 | 0 | 0 | 107.2 | | |
| 387 | I | 37.3 | Very low | 36.1 | Very low | 137 Ų | 137 | 156.9 Ų | 156.9 | 70% | 0.703 | 80% | 0.797 | S | S | * | * | | | trans | -118.9 | 106 | 167.1 | -61 | 178.9 | 0 | 0 | 0 | 107.9 | | |
| 388 | N | 37.8 | Very low | 36.2 | Very low | 148 Ų | 148 | 158.2 Ų | 158.2 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -92 | 112.1 | 165.5 | -98.7 | -12.7 | 0 | 0 | 0 | 108 | | |
| 389 | D | 38.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 158.3 Ų | 158.3 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -112.6 | 89 | 165.9 | -84.1 | -38.8 | 0 | 0 | 0 | 110 | | |
| 390 | Q | 34.1 | Very low | 36 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | -101.2 | 99.7 | 158.2 | -84.1 | -169.5 | -32.6 | 0 | 0 | 108.6 | | |
| 391 | Y | 38.6 | Very low | 35.8 | Very low | 217 Ų | 217 | 153.6 Ų | 153.6 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | trans | -149.2 | 149.9 | 164 | -100.5 | -76.6 | 0 | 0 | 0 | 113.2 | | |
| 392 | N | 36.3 | Very low | 35.5 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 79% | 0.788 | S | S | * | * | | | trans | 74.6 | 72.7 | 167 | -63.4 | -14.5 | 0 | 0 | 0 | 119 | | |
| 393 | N | 37.1 | Very low | 35.8 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | | 14.3 | 141.3 | 108.9 | -88.8 | -11.1 | 0 | 0 | 0 | 119.6 | | |
| 394 | N | 37.3 | Very low | 35.9 | Very low | 133 Ų | 133 | 152.5 Ų | 152.5 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 67.7 | 101.8 | 148.2 | -57.9 | -11 | 0 | 0 | 0 | 118.3 | | |
| 395 | N | 37.2 | Very low | 35.8 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | | -159.2 | 139.1 | 113.8 | -99.5 | -35.3 | 0 | 0 | 0 | 112.9 | | |
| 396 | N | 35.6 | Very low | 36 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | | | trans | -76 | 142.4 | -179.7 | -63.9 | -43.8 | 0 | 0 | 0 | 111.7 | | |
| 397 | T | 35.4 | Very low | 36.1 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -153.5 | 105.5 | 139 | 6.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 398 | I | 35.1 | Very low | 36.3 | Very low | 147 Ų | 147 | 151.6 Ų | 151.6 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -86.8 | 130.3 | 164.8 | -65.6 | 167 | 0 | 0 | 0 | 106.9 | | |
| 399 | L | 35 | Very low | 36.4 | Very low | 165 Ų | 165 | 151.2 Ų | 151.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | | | trans | -155.7 | 95.9 | 160.7 | -111.5 | 150.3 | 0 | 0 | 0 | 110.7 | | |
| 400 | S | 31.8 | Very low | 36.5 | Very low | 85 Ų | 85 | 151.4 Ų | 151.4 | 59% | 0.594 | 78% | 0.784 | S | S | * | * | | | trans | -72.2 | 156.4 | 169.4 | -46.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 401 | N | 33 | Very low | 36.7 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | 134.2 | 112.1 | 143.5 | -67.7 | -16.7 | 0 | 0 | 0 | 113.8 | | |
| 402 | S | 32.8 | Very low | 36.8 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | | 166.3 | 80.9 | 121.1 | -77.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 403 | T | 36.9 | Very low | 36.9 | Very low | 135 Ų | 135 | 142.2 Ų | 142.2 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | -78.3 | 123.2 | 158.5 | -46.9 | 0 | 0 | 0 | 0 | 107.7 | I405 | T403-I405 HydrophobicContact CG2-CG1 4.3Š|
| 404 | R | 37.5 | Very low | 37 | Very low | 205 Ų | 205 | 141.5 Ų | 141.5 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | | | trans | -110.7 | 90.1 | 180 | -149.1 | -178 | -151.8 | -161.6 | 3.3 | 110.5 | Y406 | R404-Y406 HydrophobicContact CG-CD2 4.03Å; R404-Y406 HydrophobicContact CG-CE2 3.96Å |
| 405 | I | 36.7 | Very low | 37.1 | Very low | 146 Ų | 146 | 140.6 Ų | 140.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -88.5 | 118 | 168.1 | -61.7 | 172.2 | 0 | 0 | 0 | 107.1 | T403 | T403-I405 HydrophobicContact CG2-CG1 4.3Š|
| 406 | Y | 36.6 | Very low | 37 | Very low | 184 Ų | 184 | 138.6 Ų | 138.6 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | | | trans | -108.4 | 106.8 | 163.7 | -94.6 | -80.6 | 0 | 0 | 0 | 108.7 | R404 | R404-Y406 HydrophobicContact CG-CD2 4.03Å; R404-Y406 HydrophobicContact CG-CE2 3.96Å |
| 407 | N | 38.3 | Very low | 37.1 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | | | trans | -87.3 | 126.4 | 165.6 | -164.5 | 11.6 | 0 | 0 | 0 | 107.2 | | |
| 408 | N | 40.5 | Very low | 37.2 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | | | trans | -142.5 | 86.7 | 172.2 | -160.5 | 21.1 | 0 | 0 | 0 | 110 | N410 | N408-N410 PolarHBondContact O-N 3.33Š|
| 409 | N | 40.3 | Very low | 37.5 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 74% | 0.743 | S | S | * | * | | | trans | -67.4 | 119 | 163.8 | -73.3 | -23.7 | 0 | 0 | 0 | 108.2 | | |
| 410 | N | 41.1 | Very low | 37.6 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | trans | -138.3 | 143.8 | 149.6 | -149.3 | 1.1 | 0 | 0 | 0 | 110.7 | N408 | N408-N410 PolarHBondContact O-N 3.33Š|
| 411 | S | 38.4 | Very low | 38.1 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | | | trans | -99.8 | 178.4 | -159.9 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 412 | N | 40.3 | Very low | 38.4 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 78.1 | 143.9 | 165.7 | -46.3 | -39.4 | 0 | 0 | 0 | 114.2 | | |
| 413 | N | 38.6 | Very low | 38.8 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | cis | 171.3 | 177.4 | -19.3 | -106.3 | -19.4 | 0 | 0 | 0 | 103.6 | | |
| 414 | T | 37.8 | Very low | 39 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | 72.5 | 98.2 | 174.4 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 415 | T | 39.5 | Very low | 39 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | | 82.5 | 123.9 | 61.9 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 416 | T | 35.5 | Very low | 39.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | | | trans | 64.3 | 144.8 | 144.3 | 54 | 0 | 0 | 0 | 0 | 117.9 | | |
| 417 | T | 38.1 | Very low | 39.1 | Very low | 115 Ų | 115 | 135.7 Ų | 135.7 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -162.4 | 142.5 | 9.8 | -1.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 418 | N | 38.1 | Very low | 39.4 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | | 39 | 148 | 128.9 | -82.9 | -0.2 | 0 | 0 | 0 | 125 | | |
| 419 | N | 39.8 | Very low | 39.6 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | 96.7 | 99.6 | 144.7 | -65 | -15.7 | 0 | 0 | 0 | 120.6 | | |
| 420 | N | 37.1 | Very low | 39.6 | Very low | 152 Ų | 152 | 135 Ų | 135 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | | 39.5 | 116.7 | 117.2 | -61.2 | -6.1 | 0 | 0 | 0 | 119.7 | | |
| 421 | S | 43.4 | Very low | 39.8 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | | | | -147.5 | 124.6 | 129.2 | 56.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 422 | N | 39.9 | Very low | 39.7 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -69.5 | 148.8 | 172.1 | -59.7 | -44.9 | 0 | 0 | 0 | 109.5 | | |
| 423 | N | 39.6 | Very low | 39.8 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | trans | -145.2 | 121.1 | 147.6 | -127.3 | -14.9 | 0 | 0 | 0 | 111 | | |
| 424 | L | 42.9 | Very low | 39.8 | Very low | 164 Ų | 164 | 143.3 Ų | 143.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | -77.5 | 147 | 177.1 | -73.8 | 78.2 | 0 | 0 | 0 | 109.4 | | |
| 425 | G | 36.4 | Very low | 40 | Very low | 66 Ų | 66 | 142.4 Ų | 142.4 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | | | trans | -170.8 | 82.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 426 | Y | 39.3 | Very low | 40.1 | Very low | 229 Ų | 229 | 142.6 Ų | 142.6 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | | | trans | 67.8 | 119.4 | 162.2 | -76.3 | -92.2 | 0 | 0 | 0 | 119.9 | | |
| 427 | N | 37.1 | Very low | 40.5 | Very low | 138 Ų | 138 | 145 Ų | 145 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | -58.5 | 148.8 | 156.8 | -40.6 | -55.5 | 0 | 0 | 0 | 108.7 | | |
| 428 | D | 44.5 | Very low | 40.8 | Very low | 140 Ų | 140 | 148.3 Ų | 148.3 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | | -172.7 | 152.1 | 73 | -95.1 | -40.9 | 0 | 0 | 0 | 112.7 | | |
| 429 | I | 44.3 | Very low | 41.4 | Very low | 148 Ų | 148 | 151 Ų | 151 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | 68.4 | 112.5 | 162.5 | -57.5 | 154.5 | 0 | 0 | 0 | 117.2 | E431 | I429-E431 PolarHBondContact O-N 3.32Š|
| 430 | P | 40.9 | Very low | 41.8 | Very low | 111 Ų | 111 | 156.3 Ų | 156.3 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -78 | 112.4 | 171.1 | 31.4 | -31.5 | 0 | 0 | 0 | 110.9 | S432 | P430-S432 PolarHBondContact O-N 3.33Š|
| 431 | E | 45.2 | Very low | 42.1 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -74.7 | 53.1 | 173.8 | -157.8 | 172.2 | -146.4 | 0 | 0 | 111.9 | I429 Q433 | I429-E431 PolarHBondContact O-N 3.32Å; E431-Q433 PolarHBondContact O-N 3.38Å; E431-Q433 VanDerWaalsContact O-N 3.08Å |
| 432 | S | 36.3 | Very low | 42.9 | Very low | 94 Ų | 94 | 159.3 Ų | 159.3 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | | | trans | -83.8 | 42.8 | 177.7 | 65.6 | 0 | 0 | 0 | 0 | 112.2 | P430 | P430-S432 PolarHBondContact O-N 3.33Š|
| 433 | Q | 42.1 | Very low | 43.4 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -93.3 | 111.8 | 168.6 | -72.8 | -161.2 | 4.8 | 0 | 0 | 110.1 | E431 C435 | E431-Q433 PolarHBondContact O-N 3.38Å; E431-Q433 VanDerWaalsContact O-N 3.08Å; Q433-C435 PolarHBondContact O-N 3.37Å |
| 434 | Y | 39.1 | Very low | 43.9 | Very low | 215 Ų | 215 | 159.4 Ų | 159.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -48.5 | 87.8 | 179 | -71.7 | -101.7 | 0 | 0 | 0 | 113.3 | I436 | Y434-I436 VanDerWaalsContact C-N 3.25Å; Y434-I436 PolarHBondContact O-N 3.38Å |
| 435 | C | 41.5 | Very low | 44.5 | Very low | 107 Ų | 107 | 162.5 Ų | 162.5 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | trans | -71.7 | 85.9 | 162.3 | 44.3 | 0 | 0 | 0 | 0 | 108.6 | Q433 Q437 | Q433-C435 PolarHBondContact O-N 3.37Å; C435-Q437 PolarHBondContact O-N 3.27Å |
| 436 | I | 42.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 165.6 Ų | 165.6 | 62% | 0.615 | 80% | 0.797 | S | S | * | * | | | trans | -63.4 | 89.3 | 171.7 | -59 | 177.4 | 0 | 0 | 0 | 108 | Y434 F438 | Y434-I436 VanDerWaalsContact C-N 3.25Å; Y434-I436 PolarHBondContact O-N 3.38Å; I436-F438 HydrophobicContact CB-CE2 4.39Å; I436-F438 HydrophobicContact CG2-CD2 4.24Å; I436-F438 HydrophobicContact CG2-CE1 4.27Å; I436-F438 HydrophobicContact CG2-CE2 3.96Å; I436-F438 HydrophobicContact CG2-CZ 3.97Å; I436-F438 WeakPolarHBondContact O-CD2 3.18Å; I436-F438 PolarHBondContact O-N 2.88Å |
| 437 | Q | 43.3 | Very low | 45.4 | Very low | 173 Ų | 173 | 159.3 Ų | 159.3 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 99.1 | 171.4 | -67.5 | -171.7 | 6 | 0 | 0 | 108.1 | C435 K439 | C435-Q437 PolarHBondContact O-N 3.27Å; Q437-K439 PolarHBondContact O-N 3.29Å |
| 438 | F | 43.1 | Very low | 45.7 | Very low | 186 Ų | 186 | 158 Ų | 158 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 82.2 | 172 | -72.8 | -82.8 | 0 | 0 | 0 | 110.4 | I436 R440 | I436-F438 HydrophobicContact CB-CE2 4.39Å; I436-F438 HydrophobicContact CG2-CD2 4.24Å; I436-F438 HydrophobicContact CG2-CE1 4.27Å; I436-F438 HydrophobicContact CG2-CE2 3.96Å; I436-F438 HydrophobicContact CG2-CZ 3.97Å; I436-F438 WeakPolarHBondContact O-CD2 3.18Å; I436-F438 PolarHBondContact O-N 2.88Å; F438-R440 PolarHBondContact O-N 3.11Å |
| 439 | K | 52.3 | Low | 45.7 | Very low | 194 Ų | 194 | 155.5 Ų | 155.5 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -59.8 | 100.9 | 171.8 | -156.2 | 171.7 | -169.8 | 173.7 | 0 | 107 | Q437 V441 | Q437-K439 PolarHBondContact O-N 3.29Å; K439-V441 PolarHBondContact O-N 2.69Å |
| 440 | R | 47.8 | Very low | 45.6 | Very low | 244 Ų | 244 | 154 Ų | 154 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -57 | 97.4 | -179.2 | -87.3 | -176.4 | 171.3 | 169.6 | -0.5 | 109.7 | F438 K442 | F438-R440 PolarHBondContact O-N 3.11Å; R440-K442 PolarHBondContact O-N 2.79Å |
| 441 | V | 43.9 | Very low | 45.8 | Very low | 137 Ų | 137 | 156.7 Ų | 156.7 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | -65.1 | 101.4 | 170.5 | -178.5 | 0 | 0 | 0 | 0 | 107 | K439 A443 | K439-V441 PolarHBondContact O-N 2.69Å; V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.98Å |
| 442 | K | 59.6 | Low | 45.8 | Very low | 197 Ų | 197 | 154.4 Ų | 154.4 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | | | trans | -72.7 | 86.9 | 177.7 | -170.1 | 177.8 | -173.4 | 176.7 | 0 | 107.8 | R440 R444 | R440-K442 PolarHBondContact O-N 2.79Å; K442-R444 PolarHBondContact O-N 3.07Å |
| 443 | A | 50.8 | Low | 46.2 | Very low | 84 Ų | 84 | 156.7 Ų | 156.7 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | -49.3 | 109.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | V441 R445 | V441-A443 VanDerWaalsContact C-N 3.26Å; V441-A443 PolarHBondContact O-N 2.98Å; A443-R445 PolarHBondContact O-N 2.7Å |
| 444 | R | 49.2 | Very low | 46.4 | Very low | 234 Ų | 234 | 158.7 Ų | 158.7 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 109.5 | 167.6 | -93.1 | -179.5 | 165.8 | 168.1 | -4.8 | 106 | K442 T446 | K442-R444 PolarHBondContact O-N 3.07Å; R444-T446 VanDerWaalsContact C-N 3.3Å; R444-T446 PolarHBondContact O-N 3.3Å |
| 445 | R | 56.3 | Low | 46.9 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | -63.3 | 97.3 | 164.4 | -80.9 | -179.5 | 158.7 | -174.9 | -8.8 | 107.7 | A443 S447 | A443-R445 PolarHBondContact O-N 2.7Å; R445-S447 PolarHBondContact O-N 2.86Å |
| 446 | T | 51.3 | Low | 47.3 | Very low | 131 Ų | 131 | 160.3 Ų | 160.3 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -71.9 | 65.6 | 155.9 | 47.5 | 0 | 0 | 0 | 0 | 108.1 | R444 S448 | R444-T446 VanDerWaalsContact C-N 3.3Å; R444-T446 PolarHBondContact O-N 3.3Å; T446-S448 PolarHBondContact O-N 3.15Å |
| 447 | S | 42.6 | Very low | 47.5 | Very low | 97 Ų | 97 | 162 Ų | 162 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | trans | -75 | 85.8 | 161.5 | 49.8 | 0 | 0 | 0 | 0 | 107 | R445 S449 | R445-S447 PolarHBondContact O-N 2.86Å; S447-S449 PolarHBondContact O-N 3.45Å |
| 448 | S | 43.4 | Very low | 47.7 | Very low | 109 Ų | 109 | 161 Ų | 161 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -58.7 | 103.3 | 163.2 | 41.7 | 0 | 0 | 0 | 0 | 107.7 | T446 S450 | T446-S448 PolarHBondContact O-N 3.15Å; S448-S450 PolarHBondContact O-N 2.69Å; S448-S450 VanDerWaalsContact O-N 3.12Å |
| 449 | S | 44 | Very low | 47.9 | Very low | 89 Ų | 89 | 161.1 Ų | 161.1 | 62% | 0.622 | 80% | 0.802 | S | S | * | * | | | trans | -75.4 | 97.3 | 176.1 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | S447 Q451 | S447-S449 PolarHBondContact O-N 3.45Å; S449-Q451 PolarHBondContact O-N 3.03Å; S449-Q451 PolarHBondContact OG-N 3.14Å |
| 450 | S | 43.7 | Very low | 47.7 | Very low | 116 Ų | 116 | 159.2 Ų | 159.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -83.3 | 48.1 | 159.5 | 48.6 | 0 | 0 | 0 | 0 | 110.7 | S448 N452 | S448-S450 PolarHBondContact O-N 2.69Å; S448-S450 VanDerWaalsContact O-N 3.12Å; S450-N452 PolarHBondContact O-N 3.27Å |
| 451 | Q | 43.2 | Very low | 47.4 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -82.6 | 72.8 | 159 | -74 | -168.5 | -76.3 | 0 | 0 | 109.4 | S449 | S449-Q451 PolarHBondContact O-N 3.03Å; S449-Q451 PolarHBondContact OG-N 3.14Å |
| 452 | N | 46.7 | Very low | 47.4 | Very low | 143 Ų | 143 | 159.2 Ų | 159.2 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -170.4 | 110.7 | 158.2 | -96 | -19.6 | 0 | 0 | 0 | 106.9 | S450 | S450-N452 PolarHBondContact O-N 3.27Š|
| 453 | D | 44.4 | Very low | 46.5 | Very low | 142 Ų | 142 | 158.4 Ų | 158.4 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 171.1 | -18.9 | 151.4 | -90.5 | -21.8 | 0 | 0 | 0 | 112.7 | N455 K456 | D453-N455 PolarHBondContact O-N 2.94Å; D453-K456 PolarHBondContact O-N 2.89Å |
| 454 | Y | 45.5 | Very low | 46.1 | Very low | 216 Ų | 216 | 161.4 Ų | 161.4 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -1.9 | 178.8 | -98.2 | -84.9 | 0 | 0 | 0 | 116.4 | | |
| 455 | N | 50.2 | Low | 45.8 | Very low | 166 Ų | 166 | 159.8 Ų | 159.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 4.5 | -178.9 | -86.3 | -11.9 | 0 | 0 | 0 | 115.1 | D453 | D453-N455 PolarHBondContact O-N 2.94Š|
| 456 | K | 48.9 | Very low | 45.3 | Very low | 190 Ų | 190 | 157.3 Ų | 157.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -102.9 | -12.9 | -178.5 | -103.6 | -176.7 | 176.5 | -178.8 | 0 | 117.1 | D453 | D453-K456 PolarHBondContact O-N 2.89Š|
| 457 | I | 47.3 | Very low | 44.9 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 81% | 0.805 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -102.6 | -22.2 | -172.5 | -61.8 | 177.9 | 0 | 0 | 0 | 113.5 | K459 | I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 3Å |
| 458 | I | 48 | Very low | 45 | Very low | 150 Ų | 150 | 163.7 Ų | 163.7 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 57.4 | -173.8 | -42.2 | -179.9 | 0 | 0 | 0 | 112.1 | | |
| 459 | K | 47.5 | Very low | 45.1 | Very low | 190 Ų | 190 | 165.7 Ų | 165.7 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | -10.6 | 173.8 | -92.7 | -168.4 | 173.4 | -173.9 | 0 | 117.2 | I457 | I457-K459 VanDerWaalsContact C-N 3.3Å; I457-K459 PolarHBondContact O-N 3Å |
| 460 | N | 46.9 | Very low | 45.1 | Very low | 153 Ų | 153 | 168.6 Ų | 168.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -120.7 | 40.2 | -174.8 | -75.3 | 0.7 | 0 | 0 | 0 | 114.8 | | |
| 461 | R | 42.1 | Very low | 45.3 | Very low | 246 Ų | 246 | 170 Ų | 170 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | | | trans | -128.5 | 91.1 | 161.5 | -79.6 | -169.7 | -179.3 | 166 | 2 | 111 | | |
| 462 | I | 43.7 | Very low | 45.3 | Very low | 135 Ų | 135 | 168.8 Ų | 168.8 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | | | trans | -96.6 | 149.7 | 162.4 | -44.2 | 177.5 | 0 | 0 | 0 | 106.3 | | |
| 463 | F | 41.1 | Very low | 45 | Very low | 181 Ų | 181 | 168.4 Ų | 168.4 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 69.9 | 135.6 | -179.7 | -56.8 | -82.3 | 0 | 0 | 0 | 114 | | |
| 464 | N | 41.2 | Very low | 44.9 | Very low | 147 Ų | 147 | 169 Ų | 169 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | cis | -120.3 | 155.8 | 18.5 | -77.4 | -40.9 | 0 | 0 | 0 | 114.7 | | |
| 465 | K | 43.6 | Very low | 44.9 | Very low | 199 Ų | 199 | 162.6 Ų | 162.6 | 87% | 0.865 | 79% | 0.787 | S | S | * | * | | | trans | -83.6 | 112.8 | 166.1 | -69 | 171.7 | 174.4 | 175.6 | 0 | 108.9 | | |
| 466 | E | 46.4 | Very low | 44.4 | Very low | 179 Ų | 179 | 162.2 Ų | 162.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -161.9 | -19.7 | 164.3 | -122.2 | 158.8 | -147 | 0 | 0 | 116.9 | L468 | E466-L468 PolarHBondContact O-N 3.25Š|
| 467 | Q | 42.4 | Very low | 43.9 | Very low | 191 Ų | 191 | 160.7 Ų | 160.7 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -80.4 | 20.4 | -175.1 | -82.6 | -178.1 | -21.2 | 0 | 0 | 116.5 | I469 | Q467-I469 VanDerWaalsContact C-N 3.25Å; Q467-I469 PolarHBondContact O-N 3.27Å; Q467-I469 VanDerWaalsContact O-N 3.1Å |
| 468 | L | 44.1 | Very low | 43.4 | Very low | 170 Ų | 170 | 163.6 Ų | 163.6 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 9.9 | -168.2 | -116.6 | 164.8 | 0 | 0 | 0 | 116.1 | E466 | E466-L468 PolarHBondContact O-N 3.25Š|
| 469 | I | 45.2 | Very low | 42.7 | Very low | 152 Ų | 152 | 161.5 Ų | 161.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | -22.2 | -172.9 | -64.3 | 178.3 | 0 | 0 | 0 | 113.4 | Q467 | Q467-I469 VanDerWaalsContact C-N 3.25Å; Q467-I469 PolarHBondContact O-N 3.27Å; Q467-I469 VanDerWaalsContact O-N 3.1Å |
| 470 | H | 45.4 | Very low | 42.2 | Very low | 149 Ų | 149 | 157.6 Ų | 157.6 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -85 | -20.5 | -163.5 | -135 | -40.3 | 0 | 0 | 0 | 116.5 | | |
| 471 | D | 46.6 | Very low | 41.7 | Very low | 146 Ų | 146 | 157.6 Ų | 157.6 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -83.8 | -13.5 | -172.3 | -78.5 | -17.7 | 0 | 0 | 0 | 115 | | |
| 472 | H | 43.2 | Very low | 41.3 | Very low | 143 Ų | 143 | 157.5 Ų | 157.5 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -81 | -15.3 | -175.4 | -152.1 | -38.5 | 0 | 0 | 0 | 113.9 | S475 | H472-S475 PolarHBondContact O-OG 2.79Š|
| 473 | L | 40.9 | Very low | 40.9 | Very low | 135 Ų | 135 | 157.4 Ų | 157.4 | 71% | 0.707 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -87.7 | -25.9 | -179 | -79.5 | 165.8 | 0 | 0 | 0 | 114.1 | S475 | L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.02Å |
| 474 | Q | 43.5 | Very low | 40.6 | Very low | 155 Ų | 155 | 155.4 Ų | 155.4 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -16.4 | 178.6 | -71 | -166.6 | 0.1 | 0 | 0 | 114 | | |
| 475 | S | 44.4 | Very low | 40.3 | Very low | 80 Ų | 80 | 154.7 Ų | 154.7 | 56% | 0.559 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -11.2 | -178.3 | 59 | 0 | 0 | 0 | 0 | 114.8 | H472 L473 | H472-S475 PolarHBondContact O-OG 2.79Å; L473-S475 VanDerWaalsContact C-N 3.31Å; L473-S475 PolarHBondContact O-N 3.02Å |
| 476 | K | 39.9 | Very low | 40 | Very low | 159 Ų | 159 | 150.5 Ų | 150.5 | 69% | 0.691 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -99.5 | -8.1 | -177.9 | -84.9 | -174 | 173 | -179 | 0 | 116 | | |
| 477 | L | 38.3 | Very low | 39.4 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -92.5 | 1.9 | 175.2 | -73.5 | 170.1 | 0 | 0 | 0 | 113.7 | | |
| 478 | Y | 36.1 | Very low | 39.1 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -99.2 | 18.3 | -173.2 | -110.7 | -76.2 | 0 | 0 | 0 | 115.3 | | |
| 479 | S | 34.8 | Very low | 38.6 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -126.7 | 35.9 | -176.7 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 480 | S | 35.9 | Very low | 38.2 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | trans | -156.3 | 81.2 | 162.8 | -155.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 481 | N | 37.3 | Very low | 37.7 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | | | trans | -149.3 | 71.7 | 163.9 | -98.1 | -35.4 | 0 | 0 | 0 | 108.7 | I483 | N481-I483 PolarHBondContact O-N 2.99Š|
| 482 | R | 33.4 | Very low | 37.4 | Very low | 244 Ų | 244 | 141.3 Ų | 141.3 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | | | trans | -63.4 | 96.5 | 151.1 | -91.7 | -177.2 | 169.2 | 175.4 | -3.9 | 105.8 | H484 | R482-H484 PolarHBondContact O-N 2.9Š|
| 483 | I | 35.6 | Very low | 37.4 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 69% | 0.687 | 72% | 0.717 | S | S | * | * | | | trans | -62.6 | 108.6 | 168 | -63.1 | 174.1 | 0 | 0 | 0 | 105.4 | N481 D485 | N481-I483 PolarHBondContact O-N 2.99Å; I483-D485 PolarHBondContact O-N 3.3Å |
| 484 | H | 33.6 | Very low | 37.9 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | | | trans | -65.5 | 121.9 | 171.4 | -116.1 | -88 | 0 | 0 | 0 | 107.5 | R482 T486 L487 | R482-H484 PolarHBondContact O-N 2.9Å; H484-T486 PolarHBondContact O-N 2.85Å; H484-L487 PolarHBondContact O-N 3.32Å |
| 485 | D | 35.9 | Very low | 38.3 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 12.1 | -178.6 | -71.2 | -52.9 | 0 | 0 | 0 | 114 | I483 | I483-D485 PolarHBondContact O-N 3.3Š|
| 486 | T | 36.3 | Very low | 38.6 | Very low | 110 Ų | 110 | 137.5 Ų | 137.5 | 68% | 0.675 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -5.7 | 178.2 | 47.8 | 0 | 0 | 0 | 0 | 114.3 | H484 | H484-T486 PolarHBondContact O-N 2.85Š|
| 487 | L | 34.2 | Very low | 39.3 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | | | trans | -90 | 5.6 | 179 | -92.5 | 158.9 | 0 | 0 | 0 | 114.9 | H484 H489 S490 | H484-L487 PolarHBondContact O-N 3.32Å; L487-H489 PolarHBondContact O-N 3.45Å; L487-H489 VanDerWaalsContact O-N 3.08Å; L487-S490 PolarHBondContact O-OG 3.25Å |
| 488 | I | 35.8 | Very low | 39.9 | Very low | 124 Ų | 124 | 129 Ų | 129 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 28.5 | -180 | -41 | -179.5 | 0 | 0 | 0 | 111.4 | | |
| 489 | H | 35.1 | Very low | 40.9 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 80% | 0.801 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | 23.9 | 173.3 | -84.3 | 31.9 | 0 | 0 | 0 | 111.9 | L487 N491 | L487-H489 PolarHBondContact O-N 3.45Å; L487-H489 VanDerWaalsContact O-N 3.08Å; H489-N491 VanDerWaalsContact C-N 3.29Å; H489-N491 PolarHBondContact O-N 3.47Å |
| 490 | S | 36 | Very low | 41.8 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 69% | 0.692 | 67% | 0.67 | S | S | * | * | | | trans | -71.2 | 85.4 | 170.4 | 29.3 | 0 | 0 | 0 | 0 | 110.2 | L487 L492 | L487-S490 PolarHBondContact O-OG 3.25Å; S490-L492 PolarHBondContact O-N 3.35Å |
| 491 | N | 35.2 | Very low | 42.8 | Very low | 109 Ų | 109 | 128 Ų | 128 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | | | trans | -46.4 | 131.1 | 156.7 | -76 | -56.8 | 0 | 0 | 0 | 108.5 | H489 F493 | H489-N491 VanDerWaalsContact C-N 3.29Å; H489-N491 PolarHBondContact O-N 3.47Å; N491-F493 HydrophobicContact CB-CD2 3.4Å; N491-F493 VanDerWaalsContact CB-CD2 3.4Å; N491-F493 HydrophobicContact CB-CE2 3.41Å; N491-F493 VanDerWaalsContact CB-CE2 3.41Å; N491-F493 HydrophobicContact CB-CG 4.32Å; N491-F493 HydrophobicContact CB-CZ 4.32Å; N491-F493 PolarHBondContact O-N 3.4Å |
| 492 | L | 39.7 | Very low | 44 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | | | trans | -72 | 62.9 | 174 | -101.4 | 157.1 | 0 | 0 | 0 | 110.3 | S490 I494 | S490-L492 PolarHBondContact O-N 3.35Å; L492-I494 PolarHBondContact O-N 3.28Å |
| 493 | F | 43.4 | Very low | 45.8 | Very low | 120 Ų | 120 | 117.5 Ų | 117.5 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | | | trans | -73.1 | 115.4 | 169.8 | -79 | -65.6 | 0 | 0 | 0 | 108.6 | N491 N495 D496 | N491-F493 HydrophobicContact CB-CD2 3.4Å; N491-F493 VanDerWaalsContact CB-CD2 3.4Å; N491-F493 HydrophobicContact CB-CE2 3.41Å; N491-F493 VanDerWaalsContact CB-CE2 3.41Å; N491-F493 HydrophobicContact CB-CG 4.32Å; N491-F493 HydrophobicContact CB-CZ 4.32Å; N491-F493 PolarHBondContact O-N 3.4Å; F493-N495 HydrophobicContact CB-CB 4.19Å; F493-N495 PolarHBondContact O-N 3.2Å; F493-D496 PolarHBondContact O-N 3.27Å |
| 494 | I | 52.5 | Low | 47.3 | Very low | 73 Ų | 73 | 113.4 Ų | 113.4 | 37% | 0.374 | 59% | 0.591 | S | S | . | * | G | 310 helix | trans | -62.8 | -1.4 | 165.3 | -39.9 | -178.6 | 0 | 0 | 0 | 110.5 | L492 K505 | L492-I494 PolarHBondContact O-N 3.28Å; I494-K505 HydrophobicContact CG2-CB 4.49Å; I494-K505 HydrophobicContact CG2-CD 3.98Å; I494-K505 HydrophobicContact CG2-CG 3.78Å; I494-K505 VanDerWaalsContact O-CD 3.31Å; I494-K505 WeakPolarHBondContact O-CD 3.21Å; I494-K505 WeakPolarHBondContact O-CE 2.99Å; I494-K505 PolarHBondContact O-NZ 3.21Å |
| 495 | N | 50.7 | Low | 49.2 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | G | 310 helix | trans | -80 | -18.7 | 176.5 | -58.8 | -20.7 | 0 | 0 | 0 | 113.5 | F493 K505 | F493-N495 HydrophobicContact CB-CB 4.19Å; F493-N495 PolarHBondContact O-N 3.2Å; N495-K505 PolarHBondContact OD1-NZ 2.73Å |
| 496 | D | 51.5 | Low | 51.2 | Low | 130 Ų | 130 | 108.2 Ų | 108.2 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -96.6 | 15.1 | -178.8 | -57.4 | -23.5 | 0 | 0 | 0 | 113 | F493 | F493-D496 PolarHBondContact O-N 3.27Š|
| 497 | L | 55.2 | Low | 53.1 | Low | 61 Ų | 61 | 107.9 Ų | 107.9 | 32% | 0.319 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -70.9 | 129.7 | 169.5 | -126.9 | 70.1 | 0 | 0 | 0 | 108.7 | Q501 K505 | L497-Q501 HydrophobicContact CD2-CB 3.68Å; L497-Q501 HydrophobicContact CG-CB 4.06Å; L497-K505 HydrophobicContact CD2-CB 4.16Å |
| 498 | P | 50.2 | Low | 55.1 | Low | 79 Ų | 79 | 104.2 Ų | 104.2 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | | | trans | -57.2 | 144.2 | 177.4 | 23.6 | -33.5 | 0 | 0 | 0 | 110.4 | E500 Q501 | P498-E500 PolarHBondContact O-N 3.01Å; P498-Q501 HydrophobicContact CG-CG 4.39Å; P498-Q501 PolarHBondContact O-N 3.15Å |
| 499 | Q | 55.9 | Low | 57.2 | Low | 166 Ų | 166 | 102.2 Ų | 102.2 | 78% | 0.776 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -56.4 | -27.4 | -167.1 | -152.8 | 172.3 | 15.2 | 0 | 0 | 113.6 | Q501 E502 | Q499-Q501 PolarHBondContact O-N 3.3Å; Q499-Q501 VanDerWaalsContact O-N 3.16Å; Q499-E502 PolarHBondContact O-N 2.9Å |
| 500 | E | 53.8 | Low | 59.4 | Low | 181 Ų | 181 | 97.6 Ų | 97.6 | 85% | 0.846 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -60.1 | -17.9 | 172.4 | -60.5 | -175 | 149.5 | 0 | 0 | 114.6 | P498 | P498-E500 PolarHBondContact O-N 3.01Š|
| 501 | Q | 57.8 | Low | 61.4 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -102.3 | 10.3 | 179 | -62 | -167.1 | 8 | 0 | 0 | 114.1 | L497 P498 Q499 P503 I504 K505 | L497-Q501 HydrophobicContact CD2-CB 3.68Å; L497-Q501 HydrophobicContact CG-CB 4.06Å; P498-Q501 HydrophobicContact CG-CG 4.39Å; P498-Q501 PolarHBondContact O-N 3.15Å; Q499-Q501 PolarHBondContact O-N 3.3Å; Q499-Q501 VanDerWaalsContact O-N 3.16Å; Q501-P503 VanDerWaalsContact C-CD 3.43Å; Q501-P503 VanDerWaalsContact C-N 3.34Å; Q501-I504 HydrophobicContact CB-CB 4.44Å; Q501-I504 HydrophobicContact CB-CD1 4.31Å; Q501-I504 HydrophobicContact CG-CD1 4.16Å; Q501-I504 WeakPolarHBondContact O-CA 3.47Å; Q501-I504 WeakPolarHBondContact O-CB 3.5Å; Q501-I504 PolarHBondContact O-N 3.24Å; Q501-K505 PolarHBondContact O-N 3.07Å |
| 502 | E | 62.2 | Low | 63.6 | Low | 85 Ų | 85 | 94.2 Ų | 94.2 | 40% | 0.397 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -45.1 | -44.8 | 171.7 | -100.5 | -151 | -151.9 | 0 | 0 | 115.7 | Q499 I504 K505 K506 | Q499-E502 PolarHBondContact O-N 2.9Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 PolarHBondContact O-N 2.99Å; E502-K505 PolarHBondContact O-N 3.37Å; E502-K506 WeakPolarHBondContact O-CB 3.39Å; E502-K506 WeakPolarHBondContact O-CG 3.21Å; E502-K506 PolarHBondContact O-N 3.47Å; E502-K506 WeakPolarHBondContact OE2-CE 3.49Å; E502-K506 IonicContact OE2-NZ 3.3Å; E502-K506 PolarHBondContact OE2-NZ 2.79Å |
| 503 | P | 71.1 | Confident | 65.6 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 60% | 0.597 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.6 | -31.8 | 177.3 | 24.1 | -34 | 0 | 0 | 0 | 112.8 | Q501 H507 | Q501-P503 VanDerWaalsContact C-CD 3.43Å; Q501-P503 VanDerWaalsContact C-N 3.34Å; P503-H507 VanDerWaalsContact O-CB 3.26Å; P503-H507 WeakPolarHBondContact O-CB 3.48Å; P503-H507 PolarHBondContact O-N 3.21Å |
| 504 | I | 68.4 | Low | 67.3 | Low | 48 Ų | 48 | 92.8 Ų | 92.8 | 25% | 0.246 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71 | -43.5 | 176.5 | -56.3 | 177.3 | 0 | 0 | 0 | 109.8 | Y98 Q501 E502 H507 L508 | Y98-I504 HydrophobicContact CD1-CD1 4.35Å; Q501-I504 HydrophobicContact CB-CB 4.44Å; Q501-I504 HydrophobicContact CB-CD1 4.31Å; Q501-I504 HydrophobicContact CG-CD1 4.16Å; Q501-I504 WeakPolarHBondContact O-CA 3.47Å; Q501-I504 WeakPolarHBondContact O-CB 3.5Å; Q501-I504 PolarHBondContact O-N 3.24Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 PolarHBondContact O-N 2.99Å; I504-H507 PolarHBondContact O-N 3.35Å; I504-L508 HydrophobicContact CG2-CD1 4.02Å; I504-L508 HydrophobicContact CG2-CG 4.45Å; I504-L508 WeakPolarHBondContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CG 3.28Å; I504-L508 PolarHBondContact O-N 2.94Å |
| 505 | K | 72.2 | Confident | 68.3 | Low | 38 Ų | 38 | 89.8 Ų | 89.8 | 17% | 0.165 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -56.3 | -55.1 | 173.2 | 173.8 | 170.7 | -174.6 | 170.6 | 0 | 111.3 | I494 N495 L497 Q501 E502 H507 L508 E509 | I494-K505 HydrophobicContact CG2-CB 4.49Å; I494-K505 HydrophobicContact CG2-CD 3.98Å; I494-K505 HydrophobicContact CG2-CG 3.78Å; I494-K505 VanDerWaalsContact O-CD 3.31Å; I494-K505 WeakPolarHBondContact O-CD 3.21Å; I494-K505 WeakPolarHBondContact O-CE 2.99Å; I494-K505 PolarHBondContact O-NZ 3.21Å; N495-K505 PolarHBondContact OD1-NZ 2.73Å; L497-K505 HydrophobicContact CD2-CB 4.16Å; Q501-K505 PolarHBondContact O-N 3.07Å; E502-K505 PolarHBondContact O-N 3.37Å; K505-H507 VanDerWaalsContact C-N 3.29Å; K505-H507 PolarHBondContact O-N 3.47Å; K505-L508 PolarHBondContact O-N 3.14Å; K505-E509 WeakPolarHBondContact CE-OE1 3.41Å; K505-E509 HydrophobicContact CG-CG 4.43Å; K505-E509 WeakPolarHBondContact CG-OE1 3.36Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 WeakPolarHBondContact O-CG 3.29Å; K505-E509 PolarHBondContact O-N 2.88Å |
| 506 | K | 77.6 | Confident | 69.4 | Low | 125 Ų | 125 | 88.7 Ų | 88.7 | 54% | 0.543 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 178.9 | -76.1 | 167.2 | 172.5 | 162.2 | 0 | 112.2 | E502 S510 | E502-K506 WeakPolarHBondContact O-CB 3.39Å; E502-K506 WeakPolarHBondContact O-CG 3.21Å; E502-K506 PolarHBondContact O-N 3.47Å; E502-K506 WeakPolarHBondContact OE2-CE 3.49Å; E502-K506 IonicContact OE2-NZ 3.3Å; E502-K506 PolarHBondContact OE2-NZ 2.79Å; K506-S510 WeakPolarHBondContact O-CB 3.33Å; K506-S510 PolarHBondContact O-N 2.95Å |
| 507 | H | 76 | Confident | 70.4 | Confident | 102 Ų | 102 | 85.4 Ų | 85.4 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.6 | -176.2 | 64.4 | 0 | 0 | 0 | 112.6 | P503 I504 K505 S510 W511 | P503-H507 VanDerWaalsContact O-CB 3.26Å; P503-H507 WeakPolarHBondContact O-CB 3.48Å; P503-H507 PolarHBondContact O-N 3.21Å; I504-H507 PolarHBondContact O-N 3.35Å; K505-H507 VanDerWaalsContact C-N 3.29Å; K505-H507 PolarHBondContact O-N 3.47Å; H507-S510 PolarHBondContact O-N 2.8Å; H507-W511 VanDerWaalsContact O-CB 3.31Å; H507-W511 WeakPolarHBondContact O-CB 3.43Å; H507-W511 PolarHBondContact O-N 3.18Å |
| 508 | L | 76.7 | Confident | 71.2 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 29% | 0.293 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.2 | -73.6 | 171.1 | 0 | 0 | 0 | 112 | I504 K505 W511 L512 | I504-L508 HydrophobicContact CG2-CD1 4.02Å; I504-L508 HydrophobicContact CG2-CG 4.45Å; I504-L508 WeakPolarHBondContact O-CB 3.28Å; I504-L508 WeakPolarHBondContact O-CG 3.28Å; I504-L508 PolarHBondContact O-N 2.94Å; K505-L508 PolarHBondContact O-N 3.14Å; L508-W511 PolarHBondContact O-N 3.13Å; L508-L512 WeakPolarHBondContact O-CB 3.38Å; L508-L512 VanDerWaalsContact O-CG 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.37Å; L508-L512 PolarHBondContact O-N 3.21Å |
| 509 | E | 80.8 | Confident | 72.2 | Confident | 82 Ų | 82 | 87.2 Ų | 87.2 | 38% | 0.383 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 175.8 | -73.2 | 173.4 | 176.9 | 0 | 0 | 111.9 | K505 L512 K513 | K505-E509 WeakPolarHBondContact CE-OE1 3.41Å; K505-E509 HydrophobicContact CG-CG 4.43Å; K505-E509 WeakPolarHBondContact CG-OE1 3.36Å; K505-E509 WeakPolarHBondContact O-CB 3.38Å; K505-E509 WeakPolarHBondContact O-CG 3.29Å; K505-E509 PolarHBondContact O-N 2.88Å; E509-L512 PolarHBondContact O-N 3.2Å; E509-K513 VanDerWaalsContact O-CB 3.32Å; E509-K513 WeakPolarHBondContact O-CB 3.38Å; E509-K513 PolarHBondContact O-N 2.82Å |
| 510 | S | 80.7 | Confident | 72.9 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 174.5 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | K506 H507 K513 E514 | K506-S510 WeakPolarHBondContact O-CB 3.33Å; K506-S510 PolarHBondContact O-N 2.95Å; H507-S510 PolarHBondContact O-N 2.8Å; S510-K513 PolarHBondContact O-N 2.98Å; S510-E514 PolarHBondContact O-N 2.98Å |
| 511 | W | 78.9 | Confident | 73.6 | Confident | 59 Ų | 59 | 82.3 Ų | 82.3 | 22% | 0.223 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -66.2 | -40.1 | 179.8 | -170.2 | 77.6 | 0 | 0 | 0 | 112.7 | W87 H507 L508 E514 A515 | W87-W511 AromaticContact NE1-CH2 3.65Å; W87-W511 AromaticContact NE1-CZ3 3.95Å; H507-W511 VanDerWaalsContact O-CB 3.31Å; H507-W511 WeakPolarHBondContact O-CB 3.43Å; H507-W511 PolarHBondContact O-N 3.18Å; L508-W511 PolarHBondContact O-N 3.13Å; W511-E514 PolarHBondContact O-N 3.11Å; W511-A515 VanDerWaalsContact O-CB 3.29Å; W511-A515 WeakPolarHBondContact O-CB 3.5Å; W511-A515 PolarHBondContact O-N 2.86Å |
| 512 | L | 80.8 | Confident | 73.5 | Confident | 78 Ų | 78 | 82.8 Ų | 82.8 | 41% | 0.408 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 173.4 | -74.6 | 169.2 | 0 | 0 | 0 | 111.6 | L508 E509 A515 V516 | L508-L512 WeakPolarHBondContact O-CB 3.38Å; L508-L512 VanDerWaalsContact O-CG 3.24Å; L508-L512 WeakPolarHBondContact O-CG 3.37Å; L508-L512 PolarHBondContact O-N 3.21Å; E509-L512 PolarHBondContact O-N 3.2Å; L512-A515 PolarHBondContact O-N 2.94Å; L512-V516 WeakPolarHBondContact O-CG2 3.34Å; L512-V516 PolarHBondContact O-N 3.33Å |
| 513 | K | 82.4 | Confident | 73.5 | Confident | 161 Ų | 161 | 84.8 Ų | 84.8 | 70% | 0.7 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 176.2 | -170.1 | 174.9 | -177.9 | 178.1 | 0 | 111.6 | E509 S510 T517 | E509-K513 VanDerWaalsContact O-CB 3.32Å; E509-K513 WeakPolarHBondContact O-CB 3.38Å; E509-K513 PolarHBondContact O-N 2.82Å; S510-K513 PolarHBondContact O-N 2.98Å; K513-T517 WeakPolarHBondContact O-CB 3.32Å; K513-T517 PolarHBondContact O-N 3.26Å; K513-T517 PolarHBondContact O-OG1 3.48Å |
| 514 | E | 78.8 | Confident | 72.8 | Confident | 87 Ų | 87 | 85 Ų | 85 | 41% | 0.407 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 172.6 | -168.2 | -174.2 | 177 | 0 | 0 | 111.5 | S510 W511 V516 T517 R518 | S510-E514 PolarHBondContact O-N 2.98Å; W511-E514 PolarHBondContact O-N 3.11Å; E514-V516 PolarHBondContact O-N 2.76Å; E514-T517 PolarHBondContact O-N 2.9Å; E514-T517 VanDerWaalsContact O-N 3.15Å; E514-R518 HydrophobicContact CG-CG 4.38Å; E514-R518 PolarHBondContact O-N 3.11Å; E514-R518 IonicContact OE1-CZ 3.4Å; E514-R518 IonicContact OE1-NE 3.14Å; E514-R518 PolarHBondContact OE1-NE 3.18Å; E514-R518 IonicContact OE1-NH2 2.62Å; E514-R518 PolarHBondContact OE1-NH2 2.96Å |
| 515 | A | 72.2 | Confident | 72.1 | Confident | 10 Ų | 10 | 88 Ų | 88 | 8% | 0.083 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -60.3 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | W511 L512 T519 L525 | W511-A515 VanDerWaalsContact O-CB 3.29Å; W511-A515 WeakPolarHBondContact O-CB 3.5Å; W511-A515 PolarHBondContact O-N 2.86Å; L512-A515 PolarHBondContact O-N 2.94Å; A515-T519 WeakPolarHBondContact O-CB 3Å; A515-T519 PolarHBondContact O-N 2.92Å; A515-T519 PolarHBondContact O-OG1 3.21Å; A515-L525 HydrophobicContact CB-CD1 4.27Å; A515-L525 HydrophobicContact CB-CD2 4.25Å |
| 516 | V | 75.1 | Confident | 72.1 | Confident | 85 Ų | 85 | 90.5 Ų | 90.5 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 173.6 | 171 | 0 | 0 | 0 | 0 | 110.6 | L512 E514 T519 I520 | L512-V516 WeakPolarHBondContact O-CG2 3.34Å; L512-V516 PolarHBondContact O-N 3.33Å; E514-V516 PolarHBondContact O-N 2.76Å; V516-T519 PolarHBondContact O-N 3.37Å; V516-I520 HydrophobicContact CG1-CD1 3.7Å; V516-I520 HydrophobicContact CG1-CG1 4.43Å; V516-I520 VanDerWaalsContact O-CG1 3.32Å; V516-I520 WeakPolarHBondContact O-CG1 3.49Å; V516-I520 PolarHBondContact O-N 3.08Å |
| 517 | T | 72.6 | Confident | 71.8 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 37% | 0.374 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63 | -46.7 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | K513 E514 T519 I520 Q521 | K513-T517 WeakPolarHBondContact O-CB 3.32Å; K513-T517 PolarHBondContact O-N 3.26Å; K513-T517 PolarHBondContact O-OG1 3.48Å; E514-T517 PolarHBondContact O-N 2.9Å; E514-T517 VanDerWaalsContact O-N 3.15Å; T517-T519 VanDerWaalsContact C-N 3.34Å; T517-T519 PolarHBondContact O-N 2.8Å; T517-I520 PolarHBondContact O-N 3.22Å; T517-Q521 WeakPolarHBondContact O-CB 3.43Å; T517-Q521 WeakPolarHBondContact O-CG 3.45Å; T517-Q521 PolarHBondContact O-N 3.35Å |
| 518 | R | 71.1 | Confident | 71.6 | Confident | 85 Ų | 85 | 87.9 Ų | 87.9 | 32% | 0.321 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 176.1 | -73.8 | 176.3 | 175.7 | -138.2 | 10.3 | 112.1 | E514 Q521 G522 K523 L525 | E514-R518 HydrophobicContact CG-CG 4.38Å; E514-R518 PolarHBondContact O-N 3.11Å; E514-R518 IonicContact OE1-CZ 3.4Å; E514-R518 IonicContact OE1-NE 3.14Å; E514-R518 PolarHBondContact OE1-NE 3.18Å; E514-R518 IonicContact OE1-NH2 2.62Å; E514-R518 PolarHBondContact OE1-NH2 2.96Å; R518-Q521 CarbonylContact O-C 3.46Å; R518-Q521 PolarHBondContact O-N 2.78Å; R518-G522 PolarHBondContact O-N 3.09Å; R518-K523 PolarHBondContact O-N 3.33Å; R518-L525 HydrophobicContact CB-CD2 4.01Å; R518-L525 HydrophobicContact CB-CG 4.05Å; R518-L525 VanDerWaalsContact CD-CD2 3.41Å; R518-L525 HydrophobicContact CG-CD2 4.34Å; R518-L525 PolarHBondContact NH1-OXT 3.36Å; R518-L525 VanDerWaalsContact NH1-OXT 3.11Å |
| 519 | T | 71 | Confident | 71.3 | Confident | 93 Ų | 93 | 89.8 Ų | 89.8 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.2 | -44.5 | 176.4 | -55.5 | 0 | 0 | 0 | 0 | 111.6 | A515 V516 T517 Q521 G522 | A515-T519 WeakPolarHBondContact O-CB 3Å; A515-T519 PolarHBondContact O-N 2.92Å; A515-T519 PolarHBondContact O-OG1 3.21Å; V516-T519 PolarHBondContact O-N 3.37Å; T517-T519 VanDerWaalsContact C-N 3.34Å; T517-T519 PolarHBondContact O-N 2.8Å; T519-Q521 VanDerWaalsContact C-N 3.32Å; T519-Q521 PolarHBondContact O-N 2.88Å; T519-G522 PolarHBondContact O-N 2.94Å |
| 520 | I | 70 | Confident | 70.7 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 71% | 0.708 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64 | -38.1 | 175.5 | -68.1 | 166.8 | 0 | 0 | 0 | 111.1 | V516 T517 G522 | V516-I520 HydrophobicContact CG1-CD1 3.7Å; V516-I520 HydrophobicContact CG1-CG1 4.43Å; V516-I520 VanDerWaalsContact O-CG1 3.32Å; V516-I520 WeakPolarHBondContact O-CG1 3.49Å; V516-I520 PolarHBondContact O-N 3.08Å; T517-I520 PolarHBondContact O-N 3.22Å; I520-G522 PolarHBondContact O-N 2.84Å |
| 521 | Q | 68.7 | Low | 70.1 | Confident | 106 Ų | 106 | 91.2 Ų | 91.2 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 0.7 | 177.3 | -69.8 | -179.2 | 11.9 | 0 | 0 | 114.3 | T517 R518 T519 K523 | T517-Q521 WeakPolarHBondContact O-CB 3.43Å; T517-Q521 WeakPolarHBondContact O-CG 3.45Å; T517-Q521 PolarHBondContact O-N 3.35Å; R518-Q521 CarbonylContact O-C 3.46Å; R518-Q521 PolarHBondContact O-N 2.78Å; T519-Q521 VanDerWaalsContact C-N 3.32Å; T519-Q521 PolarHBondContact O-N 2.88Å; Q521-K523 HydrophobicContact CB-CD 4.14Å; Q521-K523 HydrophobicContact CB-CG 4.12Å; Q521-K523 PolarHBondContact O-N 3.28Å; Q521-K523 VanDerWaalsContact O-N 3.15Å |
| 522 | G | 55.7 | Low | 69.4 | Low | 71 Ų | 71 | 93.5 Ų | 93.5 | 73% | 0.732 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 15.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | R518 T519 I520 | R518-G522 PolarHBondContact O-N 3.09Å; T519-G522 PolarHBondContact O-N 2.94Å; I520-G522 PolarHBondContact O-N 2.84Å |
| 523 | K | 61.8 | Low | 68.5 | Low | 127 Ų | 127 | 94.7 Ų | 94.7 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | | | trans | -87.1 | 132.7 | -179.9 | -70.1 | 176.6 | -176.4 | 165.2 | 0 | 109.4 | R518 Q521 | R518-K523 PolarHBondContact O-N 3.33Å; Q521-K523 HydrophobicContact CB-CD 4.14Å; Q521-K523 HydrophobicContact CB-CG 4.12Å; Q521-K523 PolarHBondContact O-N 3.28Å; Q521-K523 VanDerWaalsContact O-N 3.15Å |
| 524 | A | 56.8 | Low | 67.4 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 81% | 0.81 | 51% | 0.511 | S | S | * | . | | | trans | -58.3 | 140.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 525 | L | 55 | Low | 66.4 | Low | 109 Ų | 109 | 89.4 Ų | 89.4 | 57% | 0.571 | 52% | 0.521 | S | S | * | . | | | trans | -86.2 | 0 | -171.8 | -101.6 | 164.7 | 0 | 0 | 0 | 113.8 | A515 R518 | A515-L525 HydrophobicContact CB-CD1 4.27Å; A515-L525 HydrophobicContact CB-CD2 4.25Å; R518-L525 HydrophobicContact CB-CD2 4.01Å; R518-L525 HydrophobicContact CB-CG 4.05Å; R518-L525 VanDerWaalsContact CD-CD2 3.41Å; R518-L525 HydrophobicContact CG-CD2 4.34Å; R518-L525 PolarHBondContact NH1-OXT 3.36Å; R518-L525 VanDerWaalsContact NH1-OXT 3.11Å |