| 1 | M | 36.9 | Very low | 38 | Very low | 223 Ų | 223 | 122.4 Ų | 122.4 | 100% | 1.099 | 77% | 0.766 | S | S | * | * | | | | 0 | 125.3 | 0 | -88.3 | 174.9 | 162.6 | 0 | 0 | 106.3 | | |
| 2 | L | 36 | Very low | 37.6 | Very low | 137 Ų | 137 | 125 Ų | 125 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | | 61.4 | 124.5 | 80.9 | -58.2 | -172.7 | 0 | 0 | 0 | 110.7 | | |
| 3 | D | 39 | Very low | 37.3 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | cis | -153.5 | 161.9 | -7.7 | -82.9 | -44.8 | 0 | 0 | 0 | 105.9 | L5 | D3-L5 HydrophobicContact CB-CD1 4.2Å; D3-L5 WeakPolarHBondContact OD1-CD1 3.43Å |
| 4 | S | 47.5 | Very low | 37.5 | Very low | 109 Ų | 109 | 123.1 Ų | 123.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | cis | -148 | 132.4 | 37 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 5 | L | 41.2 | Very low | 37 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | | | | 66.6 | 125 | 66.4 | -62.8 | 172.8 | 0 | 0 | 0 | 112.6 | D3 | D3-L5 HydrophobicContact CB-CD1 4.2Å; D3-L5 WeakPolarHBondContact OD1-CD1 3.43Å |
| 6 | S | 35.1 | Very low | 36.7 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | cis | -171.6 | 161 | -0.2 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 7 | S | 37.9 | Very low | 36.6 | Very low | 102 Ų | 102 | 126.2 Ų | 126.2 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | | | trans | 70 | 135.2 | 147.2 | -131.5 | 0 | 0 | 0 | 0 | 116.7 | | |
| 8 | T | 39.3 | Very low | 36.7 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | | | cis | -161.3 | 144.7 | -5.3 | -1.3 | 0 | 0 | 0 | 0 | 104.6 | | |
| 9 | G | 35.1 | Very low | 36.5 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | cis | 93.3 | 85.3 | 35.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 10 | G | 36.6 | Very low | 36.6 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -175.3 | 113.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 11 | N | 33.3 | Very low | 36.9 | Very low | 158 Ų | 158 | 125.8 Ų | 125.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | -92.6 | 178.4 | -178.9 | -66.6 | -47.6 | 0 | 0 | 0 | 112 | | |
| 12 | L | 33.5 | Very low | 36.8 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | | | trans | 98.1 | 91.5 | 154.2 | -52.6 | -180 | 0 | 0 | 0 | 119 | | |
| 13 | S | 34 | Very low | 37 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | | 61.8 | 153.8 | 120.7 | 60 | 0 | 0 | 0 | 0 | 121.3 | | |
| 14 | P | 40.2 | Very low | 37.1 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | trans | -94.2 | 161.4 | -153.3 | 37.6 | -37.7 | 0 | 0 | 0 | 115.6 | | |
| 15 | I | 29.9 | Very low | 36.6 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | | | trans | 179.3 | 139.6 | 135.5 | -95.8 | 156.5 | 0 | 0 | 0 | 111.4 | | |
| 16 | E | 32.6 | Very low | 36.5 | Very low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | 34.3 | 123.2 | 156.4 | -62.2 | 170.8 | 156.4 | 0 | 0 | 123.3 | | |
| 17 | A | 34.8 | Very low | 36.7 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | | 35.8 | 136 | 129.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 18 | S | 38 | Very low | 36.5 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | cis | -179.3 | 169.4 | 45.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 19 | N | 33 | Very low | 36.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | | | trans | 77.5 | 115.6 | 150.4 | -77.2 | -60.3 | 0 | 0 | 0 | 122.6 | | |
| 20 | A | 38 | Very low | 36.6 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | | 82.8 | 138.7 | 126.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 21 | K | 42.6 | Very low | 36.6 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | cis | -165.1 | 161 | -1.3 | -136 | 164.4 | 161 | -99.4 | 0 | 112 | | |
| 22 | E | 35.8 | Very low | 36.7 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | | | trans | 65.9 | 143.9 | 157.7 | -83.3 | 154.3 | 91.6 | 0 | 0 | 116.5 | | |
| 23 | I | 39.8 | Very low | 36.8 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | cis | -131.9 | 150.6 | 15.8 | -62.4 | 172.5 | 0 | 0 | 0 | 110.3 | | |
| 24 | V | 40 | Very low | 36.8 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | | | trans | -120.4 | 157.6 | 165.2 | -148.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 25 | P | 39 | Very low | 36.9 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | | | | -148.6 | 151.3 | 96.7 | 38.1 | -21.6 | 0 | 0 | 0 | 116.3 | | |
| 26 | E | 37.4 | Very low | 37.4 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | | | trans | 54.5 | 145.8 | 136.1 | -64.8 | 148.4 | -138.9 | 0 | 0 | 120.8 | | |
| 27 | S | 41 | Very low | 37.6 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | | | cis | -148 | -174.8 | 16 | 56.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 28 | N | 33.7 | Very low | 37.7 | Very low | 136 Ų | 136 | 135.6 Ų | 135.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -100.8 | 162.9 | -171.8 | -53.2 | -41.5 | 0 | 0 | 0 | 113.8 | | |
| 29 | V | 35.1 | Very low | 38 | Very low | 84 Ų | 84 | 137.3 Ų | 137.3 | 51% | 0.509 | 74% | 0.735 | S | S | . | * | | | | 178.4 | 118.7 | 100.3 | 156.4 | 0 | 0 | 0 | 0 | 110.7 | K31 | V29-K31 HydrophobicContact CG1-CG 4.45Š|
| 30 | E | 40.1 | Very low | 38.3 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | | | trans | -130.8 | 149.1 | 158.3 | -158.9 | -175.2 | -163.9 | 0 | 0 | 109.6 | S32 | E30-S32 PolarHBondContact O-N 3.37Š|
| 31 | K | 37.2 | Very low | 38.4 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | -102.5 | 84.3 | -158 | -67 | 178.7 | 179 | 178.3 | 0 | 113.9 | V29 Y33 | V29-K31 HydrophobicContact CG1-CG 4.45Å; K31-Y33 PolarHBondContact O-N 3.38Å |
| 32 | S | 35.9 | Very low | 38.1 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | trans | -72.2 | 119.9 | 164.7 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | E30 I34 | E30-S32 PolarHBondContact O-N 3.37Å; S32-I34 VanDerWaalsContact C-N 3.25Å; S32-I34 PolarHBondContact O-N 2.84Å |
| 33 | Y | 35.2 | Very low | 38.1 | Very low | 232 Ų | 232 | 139.6 Ų | 139.6 | 91% | 0.91 | 75% | 0.747 | S | S | * | * | | | trans | -75 | 74.7 | 173.3 | -89.4 | -88.5 | 0 | 0 | 0 | 111.3 | K31 | K31-Y33 PolarHBondContact O-N 3.38Š|
| 34 | I | 34.7 | Very low | 38.1 | Very low | 136 Ų | 136 | 140 Ų | 140 | 70% | 0.697 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 127.4 | 169.1 | -64.8 | 176.3 | 0 | 0 | 0 | 108.8 | S32 | S32-I34 VanDerWaalsContact C-N 3.25Å; S32-I34 PolarHBondContact O-N 2.84Å |
| 35 | L | 41.3 | Very low | 37.8 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 134 | 175.7 | -71.5 | 165.3 | 0 | 0 | 0 | 110.7 | P37 | L35-P37 WeakPolarHBondContact O-CD 3.3Š|
| 36 | P | 40 | Very low | 37.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 123.2 | 178.5 | -26.4 | 35.2 | 0 | 0 | 0 | 112.8 | D38 | P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 PolarHBondContact O-N 3.5Å |
| 37 | P | 37.1 | Very low | 38.1 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | | | trans | -89.4 | 58.4 | 178.6 | 36.8 | -34.8 | 0 | 0 | 0 | 112.1 | L35 | L35-P37 WeakPolarHBondContact O-CD 3.3Š|
| 38 | D | 37.7 | Very low | 37.8 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -91.7 | 133.9 | 171.9 | -79.2 | -15.4 | 0 | 0 | 0 | 110.7 | P36 | P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 PolarHBondContact O-N 3.5Å |
| 39 | L | 44.5 | Very low | 38 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | | | cis | -143.6 | 145 | -12.7 | -98.2 | 167.3 | 0 | 0 | 0 | 107.4 | | |
| 40 | V | 37.5 | Very low | 37.9 | Very low | 133 Ų | 133 | 143 Ų | 143 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -112.6 | 96 | 176.9 | -80.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 41 | D | 42 | Very low | 37.7 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -92.6 | 126.8 | 172 | -74.4 | -47.4 | 0 | 0 | 0 | 111.7 | | |
| 42 | N | 34.4 | Very low | 37.5 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -68.6 | 175.8 | 164.9 | -53 | -73.7 | 0 | 0 | 0 | 108.9 | | |
| 43 | E | 37.3 | Very low | 37.8 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | cis | -141 | 156.8 | 26.9 | -63.3 | 179.1 | 146.1 | 0 | 0 | 108.1 | | |
| 44 | L | 38.6 | Very low | 37.8 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | | | | 41.1 | 130.7 | 72.2 | -71.3 | 164.4 | 0 | 0 | 0 | 113 | | |
| 45 | S | 33.7 | Very low | 38.5 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -145.7 | 175.6 | -6.1 | 45 | 0 | 0 | 0 | 0 | 108.6 | | |
| 46 | D | 41.4 | Very low | 38.4 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | | -176 | 162.8 | 83.3 | -87.9 | -20.9 | 0 | 0 | 0 | 112.6 | | |
| 47 | E | 41.2 | Very low | 38 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | | | trans | -23 | 153.2 | 157.9 | -32.4 | -179 | 120.3 | 0 | 0 | 116.9 | | |
| 48 | C | 34.4 | Very low | 37.6 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | | | cis | -169.3 | 161 | 33.6 | 45.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 49 | D | 38.6 | Very low | 37.3 | Very low | 147 Ų | 147 | 135.7 Ų | 135.7 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | 50.6 | 94.7 | 142.1 | -64 | -9.1 | 0 | 0 | 0 | 121.6 | N51 | D49-N51 PolarHBondContact O-N 3.23Š|
| 50 | N | 32.4 | Very low | 36.7 | Very low | 133 Ų | 133 | 135.5 Ų | 135.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | | -14.5 | 108.8 | 124.6 | -83.7 | -91.6 | 0 | 0 | 0 | 114.9 | | |
| 51 | N | 37.6 | Very low | 36.4 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 85% | 0.845 | 75% | 0.753 | S | S | * | * | | | trans | -149.9 | 140.7 | 145 | -142.4 | -19.8 | 0 | 0 | 0 | 115.2 | D49 | D49-N51 PolarHBondContact O-N 3.23Š|
| 52 | V | 32.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | -85 | 127.5 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 53 | D | 40.9 | Very low | 35.6 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | | | trans | -146.5 | 158.9 | 144.2 | -149.4 | -8.2 | 0 | 0 | 0 | 112.4 | | |
| 54 | S | 35.9 | Very low | 35.5 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | trans | -101.3 | 156.7 | -166.5 | -72.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 55 | P | 49.7 | Very low | 35.8 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | -84.9 | 153.7 | -171.4 | 33.7 | -37.5 | 0 | 0 | 0 | 114.8 | | |
| 56 | P | 38.7 | Very low | 36 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | | | trans | -108.4 | 127.8 | 144.1 | 2.7 | 18.4 | 0 | 0 | 0 | 109.9 | | |
| 57 | S | 30.7 | Very low | 35.5 | Very low | 93 Ų | 93 | 130 Ų | 130 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | | | | 83.2 | 123.8 | 54.6 | -172.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 58 | N | 29.2 | Very low | 35.4 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | trans | 56.4 | 113.5 | 159.9 | -59.2 | -26.7 | 0 | 0 | 0 | 117.7 | | |
| 59 | Q | 32.5 | Very low | 35.2 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 77% | 0.766 | 71% | 0.711 | S | S | * | * | | | | -167.8 | 137.5 | 79.1 | -96.5 | 137.9 | 117.6 | 0 | 0 | 109.6 | | |
| 60 | I | 30.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 132 Ų | 132 | 67% | 0.667 | 71% | 0.713 | S | S | * | * | | | | 67 | 141.3 | 74.7 | -54.5 | 170.6 | 0 | 0 | 0 | 112.8 | | |
| 61 | H | 31.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | | | trans | 95.6 | 118.6 | 178.5 | -58.4 | -66.7 | 0 | 0 | 0 | 114.2 | | |
| 62 | S | 29.9 | Very low | 35 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 64% | 0.643 | 71% | 0.707 | S | S | * | * | | | cis | 73 | 130.8 | 42.9 | 85.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 63 | S | 30.7 | Very low | 35 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | | | cis | -164.8 | 179.7 | -1.5 | 39.8 | 0 | 0 | 0 | 0 | 109 | | |
| 64 | D | 34.7 | Very low | 34.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | 69.6 | 165.2 | 166.4 | -39.3 | -57.9 | 0 | 0 | 0 | 112.1 | | |
| 65 | E | 44.9 | Very low | 34.9 | Very low | 166 Ų | 166 | 131 Ų | 131 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | | | cis | -131 | 135.2 | 16.5 | -74.6 | -166 | 139.2 | 0 | 0 | 113.8 | | |
| 66 | N | 37.7 | Very low | 34.1 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 58% | 0.583 | 69% | 0.69 | S | S | * | * | | | | 51.8 | 118.3 | 126.6 | -50.2 | -36.2 | 0 | 0 | 0 | 121.6 | | |
| 67 | N | 30.3 | Very low | 34.2 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | | | | 73.1 | 155.9 | 124.8 | -64.2 | 12.9 | 0 | 0 | 0 | 119 | | |
| 68 | E | 39.2 | Very low | 34.5 | Very low | 147 Ų | 147 | 139.4 Ų | 139.4 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | | | cis | -148.5 | 165.9 | 6.8 | -137 | 149.3 | -108.7 | 0 | 0 | 110.9 | | |
| 69 | L | 31.5 | Very low | 34.9 | Very low | 112 Ų | 112 | 140.1 Ų | 140.1 | 59% | 0.586 | 71% | 0.713 | S | S | * | * | | | trans | 23.3 | 130.1 | 154 | -93.2 | 48.2 | 0 | 0 | 0 | 119.9 | | |
| 70 | W | 39.7 | Very low | 35.3 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | cis | -143.4 | 132.7 | 41.2 | -75.4 | 87.8 | 0 | 0 | 0 | 114.7 | | |
| 71 | T | 29.5 | Very low | 35.8 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | | | trans | -98.4 | 136 | 156.4 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 72 | I | 34.6 | Very low | 36.4 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | trans | -166.5 | 117.8 | 145.3 | -90.8 | 137.9 | 0 | 0 | 0 | 103.9 | | |
| 73 | K | 32.8 | Very low | 36.7 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 61% | 0.609 | 72% | 0.719 | S | S | * | * | | | cis | 88.7 | 130.2 | 40.9 | -78.1 | -173.1 | 111.9 | -70.2 | 0 | 113.2 | | |
| 74 | D | 32.4 | Very low | 37 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 62% | 0.62 | 73% | 0.726 | S | S | * | * | | | trans | 64.2 | 134.3 | 151.5 | -42.1 | -15.9 | 0 | 0 | 0 | 114.3 | | |
| 75 | D | 42.4 | Very low | 36.9 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | cis | -140 | 153.4 | 10.5 | -77.1 | -58.7 | 0 | 0 | 0 | 108.4 | | |
| 76 | I | 33 | Very low | 36.2 | Very low | 145 Ų | 145 | 150 Ų | 150 | 74% | 0.744 | 74% | 0.739 | S | S | * | * | | | | 69.4 | 147.3 | 65.3 | -53.4 | 176.7 | 0 | 0 | 0 | 113.2 | | |
| 77 | E | 40.1 | Very low | 36.6 | Very low | 181 Ų | 181 | 149.2 Ų | 149.2 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | | | trans | 81.9 | 98.3 | -170.5 | -55.2 | -179.5 | -176.9 | 0 | 0 | 112.5 | | |
| 78 | E | 37.4 | Very low | 36.6 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | | | | 60.3 | 90.2 | 57.1 | -61.6 | -166.5 | 153.6 | 0 | 0 | 114.2 | | |
| 79 | T | 38.2 | Very low | 36.4 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | | | trans | -157.9 | 123.9 | 132.8 | 3.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 80 | E | 39.2 | Very low | 36.6 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | | | trans | -16.1 | 155.9 | 143.2 | -43.3 | -172.6 | 161.7 | 0 | 0 | 115.7 | | |
| 81 | E | 41.4 | Very low | 36.2 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 60% | 0.603 | 76% | 0.762 | S | S | * | * | | | | -164.1 | 168.8 | 54.2 | -126.3 | -167.2 | 169.8 | 0 | 0 | 115.4 | | |
| 82 | K | 45.2 | Very low | 36.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | | | trans | 32 | 96.6 | 156.2 | -63.3 | 160.5 | -172.2 | 146.2 | 0 | 116.5 | | |
| 83 | V | 34.8 | Very low | 36.7 | Very low | 145 Ų | 145 | 140.1 Ų | 140.1 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | cis | 57 | 106.1 | 48.9 | -169.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 84 | G | 37.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 142 Ų | 142 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | | | trans | -158.2 | 60.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 85 | R | 32.7 | Very low | 37.5 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | | | | 79.8 | 72.8 | 96 | -168.9 | -175.6 | 175.9 | -179.6 | -0.1 | 113.7 | T87 | R85-T87 HydrophobicContact CG-CG2 3.83Š|
| 86 | W | 30.7 | Very low | 37.3 | Very low | 262 Ų | 262 | 142.5 Ų | 142.5 | 99% | 0.992 | 78% | 0.782 | S | S | * | * | | | trans | -84.7 | 103.2 | 153.7 | -85.8 | 73.6 | 0 | 0 | 0 | 108.9 | | |
| 87 | T | 45.3 | Very low | 37.8 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 58% | 0.577 | 78% | 0.777 | S | S | * | * | | | trans | -88.4 | 110.6 | 177.8 | 34.4 | 0 | 0 | 0 | 0 | 112.1 | R85 | R85-T87 HydrophobicContact CG-CG2 3.83Š|
| 88 | L | 31.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | | | trans | -77.7 | 157.3 | 136.4 | -69 | 174 | 0 | 0 | 0 | 109 | | |
| 89 | S | 33.9 | Very low | 38 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | 75.4 | 130.2 | 174 | -28.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 90 | S | 35.5 | Very low | 38 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | | | | -171.5 | 146.3 | 97.2 | 41.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 91 | G | 32.4 | Very low | 37.8 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 89 | 104.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 92 | A | 36.6 | Very low | 37.5 | Very low | 98 Ų | 98 | 137 Ų | 137 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | cis | -153.2 | -179.1 | -4.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 93 | S | 36.9 | Very low | 36.9 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | cis | -156.1 | -171.7 | 5.3 | -153.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 94 | K | 41.8 | Very low | 37 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -41.2 | 145.4 | 157.3 | -62.9 | 156.2 | -173.2 | 176 | 0 | 112.7 | | |
| 95 | N | 40.1 | Very low | 37 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | | | cis | -146.3 | 143.2 | 14 | -80.3 | -48 | 0 | 0 | 0 | 109.4 | | |
| 96 | V | 38.1 | Very low | 37.3 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | | 59.5 | 117.3 | 72.1 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 97 | S | 43.9 | Very low | 37.6 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | -163.5 | 154 | 39.4 | 73 | 0 | 0 | 0 | 0 | 118.1 | | |
| 98 | K | 40.8 | Very low | 37.3 | Very low | 177 Ų | 177 | 140.5 Ų | 140.5 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | | 43.5 | 133.3 | 126 | -57.7 | 167.6 | -168.9 | 164.8 | 0 | 119 | | |
| 99 | I | 40.8 | Very low | 37.9 | Very low | 148 Ų | 148 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | cis | -168.4 | 124.1 | 47.9 | -113.8 | 140.9 | 0 | 0 | 0 | 108 | | |
| 100 | K | 39.4 | Very low | 38.6 | Very low | 187 Ų | 187 | 141.8 Ų | 141.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | | 74.2 | 131.1 | 89.4 | -170.2 | 179.8 | -177.9 | 176.8 | 0 | 117 | | |
| 101 | S | 34 | Very low | 39.3 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 75.3 | 152.4 | 178.4 | 78.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 102 | S | 36.2 | Very low | 40.4 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | cis | -131.4 | 161.2 | 8.8 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 103 | A | 32.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | | | trans | -79.8 | 141.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 104 | R | 35.6 | Very low | 43.2 | Very low | 237 Ų | 237 | 142.8 Ų | 142.8 | 89% | 0.894 | 74% | 0.744 | S | S | * | * | | | trans | -171.6 | 161.9 | 145 | -104 | 158.9 | -158.4 | -170.7 | 4.9 | 111.3 | | |
| 105 | N | 38.4 | Very low | 44.8 | Very low | 138 Ų | 138 | 139 Ų | 139 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | trans | 66.2 | 72.2 | 162.1 | -58.9 | -3.5 | 0 | 0 | 0 | 118.2 | K107 | N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3Å |
| 106 | K | 39.8 | Very low | 46.4 | Very low | 218 Ų | 218 | 138.3 Ų | 138.3 | 95% | 0.948 | 72% | 0.722 | S | S | * | * | | | trans | -61.1 | 86.2 | 151.3 | 179.7 | -174.9 | -178.9 | -179.1 | 0 | 109.8 | | |
| 107 | K | 36.4 | Very low | 48.3 | Very low | 161 Ų | 161 | 137.8 Ų | 137.8 | 70% | 0.7 | 71% | 0.711 | S | S | * | * | | | trans | -145.9 | 123.1 | 179.1 | -86.5 | -156.6 | 171.9 | -162.9 | 0 | 113.7 | N105 | N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3Å |
| 108 | H | 38.7 | Very low | 50 | Low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | | | trans | 48.5 | 104 | 158.1 | -43.7 | -64.6 | 0 | 0 | 0 | 119 | | |
| 109 | S | 44 | Very low | 51.9 | Low | 120 Ų | 120 | 138.1 Ų | 138.1 | 84% | 0.839 | 70% | 0.701 | S | S | * | * | | | trans | -59.5 | 145.8 | 146.4 | 40.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 110 | K | 49 | Very low | 53.7 | Low | 172 Ų | 172 | 136 Ų | 136 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -76.1 | 146.4 | -176 | -64 | 177 | -178.5 | 176.8 | 0 | 110.9 | T112 | K110-T112 HydrophobicContact CB-CG2 4.42Å; K110-T112 PolarHBondContact O-N 3.45Å; K110-T112 VanDerWaalsContact O-N 3.17Å |
| 111 | P | 50 | Low | 55.6 | Low | 95 Ų | 95 | 131.3 Ų | 131.3 | 62% | 0.617 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 1.1 | -177.5 | 31.8 | -37.1 | 0 | 0 | 0 | 114.5 | N113 M114 | P111-N113 PolarHBondContact O-N 3.21Å; P111-M114 HydrophobicContact CB-CE 4.38Å; P111-M114 PolarHBondContact O-N 3.27Å |
| 112 | T | 55.3 | Low | 57.8 | Low | 105 Ų | 105 | 133.1 Ų | 133.1 | 64% | 0.644 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.2 | -21.6 | -168.1 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | K110 | K110-T112 HydrophobicContact CB-CG2 4.42Å; K110-T112 PolarHBondContact O-N 3.45Å; K110-T112 VanDerWaalsContact O-N 3.17Å |
| 113 | N | 62.2 | Low | 59.7 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -85 | -21.8 | 179.2 | -176 | -125.7 | 0 | 0 | 0 | 113.3 | P111 E116 E117 | P111-N113 PolarHBondContact O-N 3.21Å; N113-E116 PolarHBondContact ND2-OE2 3.41Å; N113-E116 VanDerWaalsContact ND2-OE2 3.09Å; N113-E116 PolarHBondContact O-N 2.86Å; N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 2.67Å |
| 114 | M | 70.7 | Confident | 61.9 | Low | 128 Ų | 128 | 130 Ų | 130 | 63% | 0.631 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.9 | -30.3 | 174 | -72.9 | -167.5 | -54.5 | 0 | 0 | 112.5 | P111 R118 | P111-M114 HydrophobicContact CB-CE 4.38Å; P111-M114 PolarHBondContact O-N 3.27Å; M114-R118 WeakPolarHBondContact O-CB 3.31Å; M114-R118 PolarHBondContact O-N 2.89Å |
| 115 | E | 74.3 | Confident | 63.9 | Low | 99 Ų | 99 | 121.3 Ų | 121.3 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.6 | -38.6 | 174.4 | -149.4 | 70.7 | -124.4 | 0 | 0 | 110.6 | R118 L119 | E115-R118 PolarHBondContact O-N 3.2Å; E115-R118 WeakPolarHBondContact OE1-CD 3.28Å; E115-R118 IonicContact OE1-CZ 2.82Å; E115-R118 IonicContact OE1-NE 2.59Å; E115-R118 IonicContact OE1-NH1 2.79Å; E115-R118 PolarHBondContact OE1-NH1 2.67Å; E115-L119 VanDerWaalsContact O-CB 3.31Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CD1 3.18Å; E115-L119 WeakPolarHBondContact O-CG 3.29Å; E115-L119 PolarHBondContact O-N 3.3Å |
| 116 | E | 73.7 | Confident | 65.6 | Low | 125 Ų | 125 | 117 Ų | 117 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.5 | -46.1 | 173.3 | -173.3 | 175.9 | -143.9 | 0 | 0 | 111.8 | N113 L119 Q120 | N113-E116 PolarHBondContact ND2-OE2 3.41Å; N113-E116 VanDerWaalsContact ND2-OE2 3.09Å; N113-E116 PolarHBondContact O-N 2.86Å; E116-L119 PolarHBondContact O-N 3.09Å; E116-Q120 WeakPolarHBondContact O-CB 3.43Å; E116-Q120 PolarHBondContact O-N 2.95Å |
| 117 | E | 78 | Confident | 67.3 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 52% | 0.519 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 173.7 | -175.8 | 176.8 | -154.6 | 0 | 0 | 112.1 | N113 Q120 I121 | N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 2.67Å; E117-Q120 PolarHBondContact O-N 3.03Å; E117-I121 HydrophobicContact CG-CD1 4.06Å; E117-I121 WeakPolarHBondContact O-CB 3.21Å; E117-I121 VanDerWaalsContact O-CG1 3.27Å; E117-I121 WeakPolarHBondContact O-CG1 3.24Å; E117-I121 PolarHBondContact O-N 3.25Å |
| 118 | R | 80.6 | Confident | 69.3 | Low | 169 Ų | 169 | 108.3 Ų | 108.3 | 64% | 0.638 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.5 | -39.6 | 176.2 | -179.6 | -176 | 176.9 | -157.4 | 4.2 | 112.5 | M114 E115 Y122 | M114-R118 WeakPolarHBondContact O-CB 3.31Å; M114-R118 PolarHBondContact O-N 2.89Å; E115-R118 PolarHBondContact O-N 3.2Å; E115-R118 WeakPolarHBondContact OE1-CD 3.28Å; E115-R118 IonicContact OE1-CZ 2.82Å; E115-R118 IonicContact OE1-NE 2.59Å; E115-R118 IonicContact OE1-NH1 2.79Å; E115-R118 PolarHBondContact OE1-NH1 2.67Å; R118-Y122 WeakPolarHBondContact O-CB 3.36Å; R118-Y122 PolarHBondContact O-N 3.27Å |
| 119 | L | 79.7 | Confident | 71.2 | Confident | 106 Ų | 106 | 104.7 Ų | 104.7 | 56% | 0.555 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68 | -39 | 174.2 | -74.5 | 166.9 | 0 | 0 | 0 | 111.2 | E115 E116 Y122 S123 | E115-L119 VanDerWaalsContact O-CB 3.31Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CD1 3.18Å; E115-L119 WeakPolarHBondContact O-CG 3.29Å; E115-L119 PolarHBondContact O-N 3.3Å; E116-L119 PolarHBondContact O-N 3.09Å; L119-Y122 PolarHBondContact O-N 3.1Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.13Å |
| 120 | Q | 78.9 | Confident | 72.2 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 173.2 | -178.3 | 58.4 | 45.7 | 0 | 0 | 111.4 | E116 E117 Y122 S123 E124 | E116-Q120 WeakPolarHBondContact O-CB 3.43Å; E116-Q120 PolarHBondContact O-N 2.95Å; E117-Q120 PolarHBondContact O-N 3.03Å; Q120-Y122 VanDerWaalsContact C-N 3.28Å; Q120-Y122 PolarHBondContact O-N 3.27Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact O-OG 2.93Å; Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.21Å |
| 121 | I | 80.5 | Confident | 73.5 | Confident | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -36.9 | 175 | -69.8 | 164.3 | 0 | 0 | 0 | 111 | E117 S125 | E117-I121 HydrophobicContact CG-CD1 4.06Å; E117-I121 WeakPolarHBondContact O-CB 3.21Å; E117-I121 VanDerWaalsContact O-CG1 3.27Å; E117-I121 WeakPolarHBondContact O-CG1 3.24Å; E117-I121 PolarHBondContact O-N 3.25Å; I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.42Å; I121-S125 PolarHBondContact O-N 3.46Å; I121-S125 PolarHBondContact O-OG 3.43Å |
| 122 | Y | 79.2 | Confident | 74.9 | Confident | 157 Ų | 157 | 95.9 Ų | 95.9 | 62% | 0.616 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.4 | -46.1 | 176.9 | -175.8 | -101.5 | 0 | 0 | 0 | 112.1 | R118 L119 Q120 S125 Q126 | R118-Y122 WeakPolarHBondContact O-CB 3.36Å; R118-Y122 PolarHBondContact O-N 3.27Å; L119-Y122 PolarHBondContact O-N 3.1Å; Q120-Y122 VanDerWaalsContact C-N 3.28Å; Q120-Y122 PolarHBondContact O-N 3.27Å; Y122-S125 PolarHBondContact O-N 3.15Å; Y122-Q126 WeakPolarHBondContact O-CB 3.26Å; Y122-Q126 PolarHBondContact O-N 3.01Å |
| 123 | S | 77.5 | Confident | 75.8 | Confident | 38 Ų | 38 | 97.1 Ų | 97.1 | 27% | 0.266 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 112.1 | L119 Q120 Q126 R127 | L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.13Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact O-OG 2.93Å; S123-Q126 PolarHBondContact O-N 3.45Å; S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 PolarHBondContact O-N 2.96Å |
| 124 | E | 76.5 | Confident | 76.3 | Confident | 100 Ų | 100 | 97.1 Ų | 97.1 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.3 | -39.3 | 174.8 | -172.7 | 166.7 | -169.7 | 0 | 0 | 112 | Q120 R127 L128 | Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.21Å; E124-R127 PolarHBondContact O-N 2.66Å; E124-L128 HydrophobicContact CG-CD1 4.39Å; E124-L128 WeakPolarHBondContact O-CB 3.37Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.2Å |
| 125 | S | 79.4 | Confident | 76.2 | Confident | 53 Ų | 53 | 98.6 Ų | 98.6 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 111.6 | I121 Y122 L128 V129 | I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.42Å; I121-S125 PolarHBondContact O-N 3.46Å; I121-S125 PolarHBondContact O-OG 3.43Å; Y122-S125 PolarHBondContact O-N 3.15Å; S125-L128 PolarHBondContact O-N 3.3Å; S125-V129 WeakPolarHBondContact O-CG2 3.17Å; S125-V129 PolarHBondContact O-N 2.93Å |
| 126 | Q | 73.1 | Confident | 76 | Confident | 48 Ų | 48 | 98.7 Ų | 98.7 | 22% | 0.224 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -68.2 | -37.2 | 177.6 | -154.8 | -168.8 | 37.7 | 0 | 0 | 110.9 | Y122 S123 V129 R130 F1155 | Y122-Q126 WeakPolarHBondContact O-CB 3.26Å; Y122-Q126 PolarHBondContact O-N 3.01Å; S123-Q126 PolarHBondContact O-N 3.45Å; Q126-V129 PolarHBondContact O-N 3.29Å; Q126-R130 VanDerWaalsContact CD-NH2 3.31Å; Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-N 3.07Å; Q126-F1155 HydrophobicContact CG-CD1 4.1Å |
| 127 | R | 76.1 | Confident | 75.9 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 33% | 0.328 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 171.9 | -177.6 | 178.9 | 179.1 | -133.1 | -16.4 | 111.3 | S123 E124 V129 R130 E131 | S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 PolarHBondContact O-N 2.96Å; E124-R127 PolarHBondContact O-N 2.66Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 2.87Å; R127-R130 CarbonylContact O-C 3.59Å; R127-R130 WeakPolarHBondContact O-CB 3.25Å; R127-R130 PolarHBondContact O-N 3.41Å; R127-E131 HydrophobicContact CG-CG 4.19Å; R127-E131 IonicContact CZ-OE1 3.88Å; R127-E131 IonicContact CZ-OE2 2.74Å; R127-E131 VanDerWaalsContact CZ-OE2 3.24Å; R127-E131 IonicContact NE-OE1 3.66Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NE-OE2 3.93Å; R127-E131 PolarHBondContact NE-OE2 3.08Å; R127-E131 VanDerWaalsContact NE-OE2 3.12Å; R127-E131 VanDerWaalsContact NH2-CD 3.32Å; R127-E131 IonicContact NH2-OE1 3.73Å; R127-E131 PolarHBondContact NH2-OE1 2.97Å; R127-E131 IonicContact NH2-OE2 3.96Å; R127-E131 PolarHBondContact NH2-OE2 3.48Å; R127-E131 WeakPolarHBondContact O-CB 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 3.18Å |
| 128 | L | 78.5 | Confident | 75.5 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -39 | 177.8 | -75.4 | 167 | 0 | 0 | 0 | 112.4 | E124 S125 E131 A132 | E124-L128 HydrophobicContact CG-CD1 4.39Å; E124-L128 WeakPolarHBondContact O-CB 3.37Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.2Å; S125-L128 PolarHBondContact O-N 3.3Å; L128-E131 PolarHBondContact O-N 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.18Å |
| 129 | V | 77.3 | Confident | 75.2 | Confident | 83 Ų | 83 | 97.3 Ų | 97.3 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.1 | -33.7 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | S125 Q126 R127 F1155 | S125-V129 WeakPolarHBondContact O-CG2 3.17Å; S125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 PolarHBondContact O-N 3.29Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 2.87Å; V129-F1155 HydrophobicContact CG1-CE1 3.96Å; V129-F1155 HydrophobicContact CG1-CE2 4.19Å; V129-F1155 HydrophobicContact CG1-CZ 3.46Å; V129-F1155 VanDerWaalsContact CG1-CZ 3.46Å |
| 130 | R | 65.3 | Low | 74.8 | Confident | 58 Ų | 58 | 102.3 Ų | 102.3 | 22% | 0.219 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -66.2 | -47.4 | 169.5 | -69 | 169.9 | -158.4 | -122 | 7.4 | 111.2 | Q126 R127 A132 K1151 F1155 E1156 | Q126-R130 VanDerWaalsContact CD-NH2 3.31Å; Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-N 3.07Å; R127-R130 CarbonylContact O-C 3.59Å; R127-R130 WeakPolarHBondContact O-CB 3.25Å; R127-R130 PolarHBondContact O-N 3.41Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.9Å; R130-K1151 WeakPolarHBondContact O-CE 3.24Å; R130-K1151 PolarHBondContact O-NZ 2.87Å; R130-F1155 HydrophobicContact CG-CB 3.71Å; R130-F1155 HydrophobicContact CG-CD2 3.9Å; R130-F1155 HydrophobicContact CG-CG 3.8Å; R130-F1155 PolarHBondContact NH1-O 2.73Å; R130-E1156 VanDerWaalsContact CZ-O 3.26Å; R130-E1156 PolarHBondContact NH1-O 2.92Å; R130-E1156 PolarHBondContact NH2-O 3.13Å |
| 131 | E | 77.4 | Confident | 74.6 | Confident | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -79.8 | -10.1 | -173.9 | -70.6 | 179.3 | 169 | 0 | 0 | 113.8 | R127 L128 D133 | R127-E131 HydrophobicContact CG-CG 4.19Å; R127-E131 IonicContact CZ-OE1 3.88Å; R127-E131 IonicContact CZ-OE2 2.74Å; R127-E131 VanDerWaalsContact CZ-OE2 3.24Å; R127-E131 IonicContact NE-OE1 3.66Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NE-OE2 3.93Å; R127-E131 PolarHBondContact NE-OE2 3.08Å; R127-E131 VanDerWaalsContact NE-OE2 3.12Å; R127-E131 VanDerWaalsContact NH2-CD 3.32Å; R127-E131 IonicContact NH2-OE1 3.73Å; R127-E131 PolarHBondContact NH2-OE1 2.97Å; R127-E131 IonicContact NH2-OE2 3.96Å; R127-E131 PolarHBondContact NH2-OE2 3.48Å; R127-E131 WeakPolarHBondContact O-CB 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 3.18Å; L128-E131 PolarHBondContact O-N 3.32Å; E131-D133 PolarHBondContact O-N 2.59Å |
| 132 | A | 78.9 | Confident | 74.5 | Confident | 45 Ų | 45 | 104.7 Ų | 104.7 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -64.4 | 129.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L128 R130 V134 | L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.18Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.9Å; A132-V134 PolarHBondContact O-N 2.77Å |
| 133 | D | 74.5 | Confident | 74.7 | Confident | 131 Ų | 131 | 106.4 Ų | 106.4 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | | | trans | -77.4 | 82.7 | 173.6 | -68.6 | -41.3 | 0 | 0 | 0 | 111.1 | E131 H135 | E131-D133 PolarHBondContact O-N 2.59Å; D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 2.78Å; D133-H135 PolarHBondContact O-ND1 3.24Å |
| 134 | V | 71.4 | Confident | 75 | Confident | 101 Ų | 101 | 107.7 Ų | 107.7 | 61% | 0.612 | 54% | 0.543 | S | S | * | . | | | trans | -69.8 | 86.9 | 174.4 | -176 | 0 | 0 | 0 | 0 | 110 | A132 | A132-V134 PolarHBondContact O-N 2.77Š|
| 135 | H | 69.7 | Low | 75.2 | Confident | 159 Ų | 159 | 112.6 Ų | 112.6 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | | | trans | -76.9 | 117.9 | 173.7 | -69.5 | 77.5 | 0 | 0 | 0 | 110.4 | D133 | D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 2.78Å; D133-H135 PolarHBondContact O-ND1 3.24Å |
| 136 | L | 68.9 | Low | 75.3 | Confident | 101 Ų | 101 | 113.2 Ų | 113.2 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | | | trans | -70.3 | 140.6 | 165.6 | -69.7 | 175.5 | 0 | 0 | 0 | 110.2 | V138 L1147 | L136-V138 PolarHBondContact O-N 3.17Å; L136-V138 VanDerWaalsContact O-N 3.08Å; L136-L1147 HydrophobicContact CD1-CD1 3.88Å; L136-L1147 HydrophobicContact CD1-CG 4.47Å; L136-L1147 HydrophobicContact CG-CD1 4.07Å |
| 137 | P | 73.5 | Confident | 75.4 | Confident | 128 Ų | 128 | 117.7 Ų | 117.7 | 83% | 0.831 | 59% | 0.586 | S | S | * | * | | | trans | -61.1 | 111.8 | 174 | -23.7 | 34.6 | 0 | 0 | 0 | 111.4 | H139 | P137-H139 PolarHBondContact O-N 3Š|
| 138 | V | 67.8 | Low | 75.7 | Confident | 98 Ų | 98 | 117 Ų | 117 | 59% | 0.594 | 60% | 0.595 | S | S | * | * | | | trans | -66.5 | 107.2 | -178.3 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | L136 R140 | L136-V138 PolarHBondContact O-N 3.17Å; L136-V138 VanDerWaalsContact O-N 3.08Å; V138-R140 PolarHBondContact O-N 2.66Å |
| 139 | H | 75.7 | Confident | 75.8 | Confident | 149 Ų | 149 | 115.1 Ų | 115.1 | 69% | 0.69 | 58% | 0.583 | S | S | * | * | | | trans | -66.9 | 104.6 | 173.4 | 177.8 | 20.6 | 0 | 0 | 0 | 110.1 | P137 | P137-H139 PolarHBondContact O-N 3Š|
| 140 | R | 70.9 | Confident | 76.1 | Confident | 211 Ų | 211 | 114.4 Ų | 114.4 | 80% | 0.796 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 122.8 | 165.2 | -65.1 | -176 | 179.8 | -176.9 | 0.2 | 109 | V138 | V138-R140 PolarHBondContact O-N 2.66Š|
| 141 | P | 75.3 | Confident | 77 | Confident | 74 Ų | 74 | 118.8 Ų | 118.8 | 48% | 0.481 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 148.8 | 174 | 26.5 | -33.8 | 0 | 0 | 0 | 110.5 | Q143 | P141-Q143 PolarHBondContact O-N 2.96Š|
| 142 | K | 77.6 | Confident | 77.2 | Confident | 169 Ų | 169 | 120.3 Ų | 120.3 | 74% | 0.735 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 124.5 | 176 | -69.8 | 179.6 | -179.8 | 176.3 | 0 | 109.3 | F144 | K142-F144 HydrophobicContact CB-CE1 3.96Å; K142-F144 HydrophobicContact CB-CE2 4Å; K142-F144 HydrophobicContact CB-CZ 3.61Å; K142-F144 HydrophobicContact CD-CE1 4.33Å; K142-F144 HydrophobicContact CD-CZ 4.18Å; K142-F144 WeakPolarHBondContact O-CD2 3.25Å; K142-F144 WeakPolarHBondContact O-CE2 3.22Å; K142-F144 PolarHBondContact O-N 3.43Å |
| 143 | Q | 83.2 | Confident | 77.2 | Confident | 192 Ų | 192 | 121 Ų | 121 | 90% | 0.897 | 60% | 0.598 | S | S | * | * | | | trans | -86.4 | 99.1 | 174.9 | -70.8 | -175.1 | -25.9 | 0 | 0 | 109.5 | P141 | P141-Q143 PolarHBondContact O-N 2.96Š|
| 144 | F | 83.7 | Confident | 77.2 | Confident | 65 Ų | 65 | 120.2 Ų | 120.2 | 29% | 0.285 | 59% | 0.594 | S | S | . | * | | | trans | -76.5 | 139.3 | 174 | -54.3 | -70.3 | 0 | 0 | 0 | 110.3 | K142 E149 F150 S153 | K142-F144 HydrophobicContact CB-CE1 3.96Å; K142-F144 HydrophobicContact CB-CE2 4Å; K142-F144 HydrophobicContact CB-CZ 3.61Å; K142-F144 HydrophobicContact CD-CE1 4.33Å; K142-F144 HydrophobicContact CD-CZ 4.18Å; K142-F144 WeakPolarHBondContact O-CD2 3.25Å; K142-F144 WeakPolarHBondContact O-CE2 3.22Å; K142-F144 PolarHBondContact O-N 3.43Å; F144-E149 HydrophobicContact CB-CB 4.18Å; F144-E149 HydrophobicContact CB-CG 4.25Å; F144-E149 HydrophobicContact CD1-CB 4.41Å; F144-E149 HydrophobicContact CD1-CG 3.77Å; F144-E149 HydrophobicContact CG-CG 4.44Å; F144-F150 HydrophobicContact CB-CB 4.14Å; F144-F150 HydrophobicContact CD2-CB 3.85Å; F144-F150 AromaticContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CG 4.26Å; F144-F150 AromaticContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CG-CB 4.1Å; F144-S153 VanDerWaalsContact CZ-CB 3.42Å; F144-S153 WeakPolarHBondContact CZ-OG 3.23Å |
| 145 | K | 80.5 | Confident | 77.3 | Confident | 203 Ų | 203 | 122 Ų | 122 | 88% | 0.883 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -74.9 | -29.3 | -178.8 | -67.5 | -176.2 | 177.1 | -177.1 | 0 | 112.7 | E149 | K145-E149 PolarHBondContact N-OE2 2.92Š|
| 146 | C | 81.9 | Confident | 76.6 | Confident | 66 Ų | 66 | 117.2 Ų | 117.2 | 45% | 0.446 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -139.6 | 161.8 | 178.5 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | S148 E149 F150 | C146-S148 PolarHBondContact O-N 3.26Å; C146-E149 PolarHBondContact O-N 3.47Å; C146-E149 PolarHBondContact SG-N 2.67Å; C146-E149 VanDerWaalsContact SG-N 3.41Å; C146-F150 PolarHBondContact O-N 3.29Å |
| 147 | F | 76.2 | Confident | 75.2 | Confident | 142 Ų | 142 | 116.8 Ų | 116.8 | 62% | 0.623 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.9 | -29.9 | 178.4 | -174.3 | -120.1 | 0 | 0 | 0 | 112.6 | F150 R151 | F147-F150 AromaticContact CD2-CD1 3.9Å; F147-F150 HydrophobicContact CD2-CD1 3.9Å; F147-F150 AromaticContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CE1 4.21Å; F147-F150 PolarHBondContact O-N 3.47Å; F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CE1-CG 4.16Å; F147-R151 HydrophobicContact CE2-CG 4.41Å; F147-R151 HydrophobicContact CZ-CG 4.13Å; F147-R151 WeakPolarHBondContact O-CG 3.37Å; F147-R151 PolarHBondContact O-N 2.99Å |
| 148 | S | 81.7 | Confident | 73.8 | Confident | 74 Ų | 74 | 116.1 Ų | 116.1 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65 | -42.8 | 175.3 | -47.8 | 0 | 0 | 0 | 0 | 112.3 | C146 R151 Q152 | C146-S148 PolarHBondContact O-N 3.26Å; S148-R151 PolarHBondContact O-N 2.89Å; S148-Q152 WeakPolarHBondContact O-CB 3.15Å; S148-Q152 VanDerWaalsContact O-CG 3.25Å; S148-Q152 WeakPolarHBondContact O-CG 3.25Å; S148-Q152 PolarHBondContact O-N 3.49Å |
| 149 | E | 79.8 | Confident | 72.6 | Confident | 69 Ų | 69 | 116.4 Ų | 116.4 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.7 | -39.1 | 176.4 | -168.6 | -165.4 | 166.3 | 0 | 0 | 111 | F144 K145 C146 Q152 S153 | F144-E149 HydrophobicContact CB-CB 4.18Å; F144-E149 HydrophobicContact CB-CG 4.25Å; F144-E149 HydrophobicContact CD1-CB 4.41Å; F144-E149 HydrophobicContact CD1-CG 3.77Å; F144-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 PolarHBondContact N-OE2 2.92Å; C146-E149 PolarHBondContact O-N 3.47Å; C146-E149 PolarHBondContact SG-N 2.67Å; C146-E149 VanDerWaalsContact SG-N 3.41Å; E149-Q152 PolarHBondContact O-N 3.28Å; E149-S153 PolarHBondContact O-N 3.2Å |
| 150 | F | 84.6 | Confident | 70.8 | Confident | 67 Ų | 67 | 114.6 Ų | 114.6 | 29% | 0.294 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -60.8 | -48.5 | 170.3 | 173.2 | -115 | 0 | 0 | 0 | 111.9 | F144 C146 F147 Q152 S153 L154 | F144-F150 HydrophobicContact CB-CB 4.14Å; F144-F150 HydrophobicContact CD2-CB 3.85Å; F144-F150 AromaticContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CG 4.26Å; F144-F150 AromaticContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CG-CB 4.1Å; C146-F150 PolarHBondContact O-N 3.29Å; F147-F150 AromaticContact CD2-CD1 3.9Å; F147-F150 HydrophobicContact CD2-CD1 3.9Å; F147-F150 AromaticContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CE1 4.21Å; F147-F150 PolarHBondContact O-N 3.47Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.09Å; F150-S153 PolarHBondContact O-N 3.38Å; F150-S153 VanDerWaalsContact O-N 3.15Å; F150-S153 PolarHBondContact O-OG 3.26Å; F150-L154 HydrophobicContact CD1-CD1 4.12Å; F150-L154 HydrophobicContact CD2-CG 4.5Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.49Å; F150-L154 HydrophobicContact CE2-CD1 4.05Å; F150-L154 HydrophobicContact CE2-CD2 4.4Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.56Å; F150-L154 HydrophobicContact CZ-CD2 4.48Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 PolarHBondContact O-N 3.11Å |
| 151 | R | 84.8 | Confident | 69 | Low | 150 Ų | 150 | 113.7 Ų | 113.7 | 57% | 0.566 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -34.4 | 176.6 | -71.8 | -168.5 | 77.4 | 174.2 | 5.1 | 113.1 | F147 S148 L154 K155 | F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CE1-CG 4.16Å; F147-R151 HydrophobicContact CE2-CG 4.41Å; F147-R151 HydrophobicContact CZ-CG 4.13Å; F147-R151 WeakPolarHBondContact O-CG 3.37Å; F147-R151 PolarHBondContact O-N 2.99Å; S148-R151 PolarHBondContact O-N 2.89Å; R151-L154 PolarHBondContact O-N 3.16Å; R151-K155 PolarHBondContact O-N 3.21Å |
| 152 | Q | 80.5 | Confident | 67.3 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63 | -41.8 | 171.9 | -74.9 | 166 | -1.3 | 0 | 0 | 111.2 | S148 E149 F150 L154 K155 | S148-Q152 WeakPolarHBondContact O-CB 3.15Å; S148-Q152 VanDerWaalsContact O-CG 3.25Å; S148-Q152 WeakPolarHBondContact O-CG 3.25Å; S148-Q152 PolarHBondContact O-N 3.49Å; E149-Q152 PolarHBondContact O-N 3.28Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.09Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.5Å; Q152-K155 PolarHBondContact O-N 3.35Å |
| 153 | S | 78.7 | Confident | 65.5 | Low | 58 Ų | 58 | 116.9 Ų | 116.9 | 41% | 0.406 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.7 | -33.5 | 175 | 81.8 | 0 | 0 | 0 | 0 | 113.5 | F144 E149 F150 | F144-S153 VanDerWaalsContact CZ-CB 3.42Å; F144-S153 WeakPolarHBondContact CZ-OG 3.23Å; E149-S153 PolarHBondContact O-N 3.2Å; F150-S153 PolarHBondContact O-N 3.38Å; F150-S153 VanDerWaalsContact O-N 3.15Å; F150-S153 PolarHBondContact O-OG 3.26Å |
| 154 | L | 74.1 | Confident | 63.2 | Low | 115 Ų | 115 | 112.4 Ų | 112.4 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.6 | -28 | 176.1 | -72.2 | 178.1 | 0 | 0 | 0 | 113.5 | F150 R151 Q152 G156 | F150-L154 HydrophobicContact CD1-CD1 4.12Å; F150-L154 HydrophobicContact CD2-CG 4.5Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.49Å; F150-L154 HydrophobicContact CE2-CD1 4.05Å; F150-L154 HydrophobicContact CE2-CD2 4.4Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.56Å; F150-L154 HydrophobicContact CZ-CD2 4.48Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 PolarHBondContact O-N 3.11Å; R151-L154 PolarHBondContact O-N 3.16Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.5Å; L154-G156 PolarHBondContact O-N 3.42Å |
| 155 | K | 73.9 | Confident | 60.5 | Low | 138 Ų | 138 | 115.3 Ų | 115.3 | 60% | 0.6 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 2 | 179 | -89.4 | -160.1 | 169.4 | -158 | 0 | 114 | R151 Q152 C157 D416 | R151-K155 PolarHBondContact O-N 3.21Å; Q152-K155 PolarHBondContact O-N 3.35Å; K155-C157 PolarHBondContact O-N 3.16Å; K155-D416 IonicContact NZ-OD1 3.27Å |
| 156 | G | 54.7 | Low | 58.4 | Low | 59 Ų | 59 | 114.1 Ų | 114.1 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.3 | 8.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L154 K158 | L154-G156 PolarHBondContact O-N 3.42Å; G156-K158 PolarHBondContact O-N 2.91Å |
| 157 | C | 41 | Very low | 56.1 | Low | 92 Ų | 92 | 116.9 Ų | 116.9 | 62% | 0.622 | 63% | 0.628 | S | S | * | * | | | trans | -63.2 | 101 | -177.8 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | K155 S159 | K155-C157 PolarHBondContact O-N 3.16Å; C157-S159 PolarHBondContact O-N 3.17Å |
| 158 | K | 44.1 | Very low | 53.9 | Low | 114 Ų | 114 | 115.3 Ų | 115.3 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | | | trans | -66.8 | 69.3 | 166.6 | -75.8 | 166.4 | 156.7 | -167.4 | 0 | 109.9 | G156 N160 E410 E411 | G156-K158 PolarHBondContact O-N 2.91Å; K158-N160 PolarHBondContact O-N 3.24Å; K158-N160 PolarHBondContact O-OD1 2.51Å; K158-E410 IonicContact NZ-OE2 3.94Å; K158-E410 PolarHBondContact NZ-OE2 3.16Å; K158-E411 WeakPolarHBondContact CD-OE1 3.42Å; K158-E411 WeakPolarHBondContact CD-OE2 3.3Å; K158-E411 WeakPolarHBondContact CE-OE1 3.22Å; K158-E411 IonicContact NZ-OE1 2.84Å; K158-E411 PolarHBondContact NZ-OE1 3.43Å |
| 159 | S | 42.6 | Very low | 51.9 | Low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | | | trans | -73.4 | 85 | 168.9 | 56.1 | 0 | 0 | 0 | 0 | 108.8 | C157 | C157-S159 PolarHBondContact O-N 3.17Š|
| 160 | N | 37.7 | Very low | 49.7 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 59% | 0.594 | 67% | 0.672 | S | S | * | * | | | trans | -25.6 | 136.5 | 171.9 | -58 | -33.9 | 0 | 0 | 0 | 113.3 | K158 T162 | K158-N160 PolarHBondContact O-N 3.24Å; K158-N160 PolarHBondContact O-OD1 2.51Å; N160-T162 VanDerWaalsContact C-N 3.32Å; N160-T162 WeakPolarHBondContact O-CB 3.4Å; N160-T162 WeakPolarHBondContact O-CG2 3.42Å; N160-T162 PolarHBondContact O-N 3.2Å; N160-T162 PolarHBondContact O-OG1 3.07Å |
| 161 | E | 33 | Very low | 47.6 | Very low | 191 Ų | 191 | 127 Ų | 127 | 89% | 0.893 | 70% | 0.7 | S | S | * | * | | | trans | -53.9 | 82.2 | -172 | -64 | -168.9 | 131.9 | 0 | 0 | 114.8 | | |
| 162 | T | 39.2 | Very low | 45.1 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | | | trans | -122.1 | 63.6 | -171.2 | 44.2 | 0 | 0 | 0 | 0 | 111.5 | N160 | N160-T162 VanDerWaalsContact C-N 3.32Å; N160-T162 WeakPolarHBondContact O-CB 3.4Å; N160-T162 WeakPolarHBondContact O-CG2 3.42Å; N160-T162 PolarHBondContact O-N 3.2Å; N160-T162 PolarHBondContact O-OG1 3.07Å |
| 163 | K | 38.9 | Very low | 43 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 84% | 0.835 | 72% | 0.719 | S | S | * | * | | | trans | 41.1 | 119.3 | 133.5 | -59 | 169.2 | -173.3 | 170 | 0 | 117.5 | | |
| 164 | S | 35.6 | Very low | 40.7 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | trans | 75.4 | 90.6 | 154.9 | -149.3 | 0 | 0 | 0 | 0 | 116.4 | E166 | S164-E166 PolarHBondContact O-N 3.45Å; S164-E166 VanDerWaalsContact O-N 3.16Å |
| 165 | C | 27.3 | Very low | 38.7 | Very low | 126 Ų | 126 | 132.8 Ų | 132.8 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | | | trans | -71.9 | 96 | 151 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 166 | E | 37.1 | Very low | 36.7 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | | | trans | -87.4 | 122.9 | 163.8 | -78.8 | -167.2 | 141.9 | 0 | 0 | 109.7 | S164 | S164-E166 PolarHBondContact O-N 3.45Å; S164-E166 VanDerWaalsContact O-N 3.16Å |
| 167 | T | 31.6 | Very low | 35.5 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | trans | -81 | 154 | -179.6 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 168 | S | 31.4 | Very low | 35.1 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 71 | 116.8 | 162.5 | -168.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 169 | S | 39.2 | Very low | 34.5 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | | -167.4 | 140.6 | 106.8 | -78.6 | 0 | 0 | 0 | 0 | 112 | | |
| 170 | Q | 34.3 | Very low | 33.9 | Very low | 177 Ų | 177 | 139 Ų | 139 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | -72.4 | 149.5 | 174.8 | -60.7 | 167 | -20 | 0 | 0 | 112.1 | | |
| 171 | N | 38.9 | Very low | 33.8 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | 165.4 | 96.8 | 155.1 | -86.5 | -45.8 | 0 | 0 | 0 | 106.1 | | |
| 172 | K | 34.2 | Very low | 33.8 | Very low | 183 Ų | 183 | 141 Ų | 141 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | cis | 56.2 | 93.1 | 46.4 | -161.3 | 165.4 | -170.9 | 166.3 | 0 | 113.6 | | |
| 173 | L | 35.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | 178.9 | 121.9 | 145.7 | -90.9 | 165 | 0 | 0 | 0 | 105.7 | | |
| 174 | H | 30.2 | Very low | 33.5 | Very low | 159 Ų | 159 | 138.1 Ų | 138.1 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | | 54.9 | 135.6 | 89.1 | -75.4 | -104.6 | 0 | 0 | 0 | 114.4 | | |
| 175 | S | 31.9 | Very low | 33.5 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 59% | 0.594 | 77% | 0.768 | S | S | * | * | | | cis | -178.5 | 153.5 | 0.1 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 176 | D | 32.8 | Very low | 33.6 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | 66.6 | 159.2 | 144.8 | -55.5 | -16.5 | 0 | 0 | 0 | 123.4 | | |
| 177 | C | 29.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | | | trans | 79.3 | 93.2 | 161.4 | -146 | 0 | 0 | 0 | 0 | 116.4 | | |
| 178 | S | 32.1 | Very low | 33.4 | Very low | 100 Ų | 100 | 135.3 Ų | 135.3 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | | 83 | 107.3 | 52.2 | -164.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 179 | T | 30.5 | Very low | 33.4 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | 48.2 | 130.4 | 133.2 | -23.8 | 0 | 0 | 0 | 0 | 122 | | |
| 180 | H | 31.7 | Very low | 33.1 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | | | trans | 95.4 | 154.4 | 146.9 | -150.8 | -91.4 | 0 | 0 | 0 | 119.8 | | |
| 181 | F | 34.4 | Very low | 33.3 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | | | trans | 78 | 92.5 | 177.3 | -56.6 | -75.7 | 0 | 0 | 0 | 117.2 | | |
| 182 | Q | 32.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 134.7 Ų | 134.7 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | | | | 74.3 | 144.7 | 87.2 | -70 | -85.6 | -32.7 | 0 | 0 | 115.1 | | |
| 183 | P | 37.5 | Very low | 33.6 | Very low | 94 Ų | 94 | 133.1 Ų | 133.1 | 61% | 0.61 | 72% | 0.722 | S | S | * | * | | | trans | -128.3 | -177.5 | -137.7 | 44.1 | -31 | 0 | 0 | 0 | 117.2 | | |
| 184 | I | 35.7 | Very low | 33.5 | Very low | 156 Ų | 156 | 131.1 Ų | 131.1 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | trans | 75.8 | 151.7 | 163.4 | -59.5 | 164.1 | 0 | 0 | 0 | 115.1 | | |
| 185 | P | 35.9 | Very low | 34 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 78% | 0.779 | 72% | 0.715 | S | S | * | * | | | cis | -124.3 | 169 | -8.8 | 28.7 | -8.8 | 0 | 0 | 0 | 116.9 | | |
| 186 | G | 29.5 | Very low | 34.2 | Very low | 67 Ų | 67 | 132.6 Ų | 132.6 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | | | trans | -76.8 | -145.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 187 | Q | 33.4 | Very low | 34.6 | Very low | 195 Ų | 195 | 132.8 Ų | 132.8 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | | | trans | 79 | 147.3 | -172.1 | -45.5 | -173 | 6 | 0 | 0 | 114.6 | | |
| 188 | S | 30.8 | Very low | 35 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | | | cis | -160.2 | 126.4 | 7.7 | -150 | 0 | 0 | 0 | 0 | 114.8 | | |
| 189 | T | 31.7 | Very low | 35.2 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | | | trans | 57.8 | 164.3 | 140.4 | 67.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 190 | R | 33.2 | Very low | 35.5 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | | | cis | -171.4 | 141.1 | 32 | -168.3 | 156.5 | 168.3 | 154.7 | 5.4 | 115.5 | | |
| 191 | N | 37.5 | Very low | 35.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 51% | 0.508 | 72% | 0.717 | S | S | . | * | | | trans | 67.9 | 161.9 | 149.9 | -75.4 | 17.5 | 0 | 0 | 0 | 120.5 | | |
| 192 | E | 39.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 136 Ų | 136 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | | | cis | -167.1 | 161 | -1.9 | -113.5 | 153.6 | -176.5 | 0 | 0 | 107.3 | | |
| 193 | E | 38.7 | Very low | 36.2 | Very low | 150 Ų | 150 | 136.7 Ų | 136.7 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | | | cis | -168.8 | 123.7 | -4.6 | -148.5 | 165.9 | -159.8 | 0 | 0 | 110.9 | | |
| 194 | T | 34.8 | Very low | 35.9 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | trans | 63.4 | 158.9 | 143.3 | 60.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 195 | E | 39.8 | Very low | 35.7 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | cis | -172.8 | 153.5 | -6.4 | -110.4 | 171 | -144.7 | 0 | 0 | 113.7 | | |
| 196 | N | 35.6 | Very low | 35.6 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 70% | 0.703 | S | S | * | * | | | trans | 64.5 | 154.2 | 136.3 | -64.4 | -12.4 | 0 | 0 | 0 | 123.2 | | |
| 197 | E | 41.9 | Very low | 35.9 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | | | cis | -174.4 | 137.3 | -6.1 | 165.2 | -177.3 | -175.7 | 0 | 0 | 114.1 | | |
| 198 | L | 39 | Very low | 35.8 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 71% | 0.707 | 70% | 0.698 | S | S | * | * | | | trans | 53.6 | 130.8 | 150.6 | -64.7 | 172.3 | 0 | 0 | 0 | 128.2 | | |
| 199 | D | 36.3 | Very low | 36.2 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | | 104.2 | 146.2 | 117.7 | -101.3 | -29.6 | 0 | 0 | 0 | 129.7 | | |
| 200 | I | 35.5 | Very low | 36.3 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 70% | 0.697 | 70% | 0.697 | S | S | * | * | | | trans | 72.8 | 93.7 | 146.7 | -68.1 | 157.2 | 0 | 0 | 0 | 122.8 | | |
| 201 | K | 36.1 | Very low | 36.4 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 88% | 0.878 | 70% | 0.698 | S | S | * | * | | | | 53.4 | 159.6 | 120 | -74.9 | -179.8 | 177.9 | 176.5 | 0 | 124.4 | | |
| 202 | P | 49 | Very low | 36.5 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | | | trans | -115.5 | 167.4 | -160.6 | 43 | -34.2 | 0 | 0 | 0 | 117.1 | | |
| 203 | F | 28.2 | Very low | 36.6 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 83% | 0.829 | 72% | 0.715 | S | S | * | * | | | trans | -167.6 | 128.6 | 151.4 | -149.7 | -128.7 | 0 | 0 | 0 | 113.3 | | |
| 204 | V | 32.2 | Very low | 36.4 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 63% | 0.63 | 72% | 0.715 | S | S | * | * | | | | 42.9 | 135.7 | 127.3 | 168.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 205 | S | 32.1 | Very low | 36.3 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 55% | 0.545 | 71% | 0.714 | S | S | . | * | | | | -179.6 | 154.7 | 73.7 | -146.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 206 | Q | 32.9 | Very low | 36.1 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | | | trans | 50.1 | 134.8 | 138.8 | -75 | 161.3 | -38.4 | 0 | 0 | 122.8 | Y208 | Q206-Y208 HydrophobicContact CB-CD2 4.28Å; Q206-Y208 HydrophobicContact CB-CE2 3.85Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 PolarHBondContact NE2-OH 3.07Å |
| 207 | G | 35.3 | Very low | 35.8 | Very low | 78 Ų | 78 | 134 Ų | 134 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -167.9 | 44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 208 | Y | 32 | Very low | 35.1 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 70% | 0.698 | 71% | 0.71 | S | S | * | * | | | trans | -13 | 151.3 | 157.1 | -60.7 | -75 | 0 | 0 | 0 | 118.2 | Q206 | Q206-Y208 HydrophobicContact CB-CD2 4.28Å; Q206-Y208 HydrophobicContact CB-CE2 3.85Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 PolarHBondContact NE2-OH 3.07Å |
| 209 | S | 39 | Very low | 34.7 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 71% | 0.714 | S | S | * | * | | | cis | -178.1 | 178.3 | 23.3 | -133.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 210 | I | 33.1 | Very low | 34.3 | Very low | 140 Ų | 140 | 129.5 Ų | 129.5 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | | | trans | 76.8 | 130.3 | 145 | -73.6 | 159.3 | 0 | 0 | 0 | 117.4 | | |
| 211 | D | 36.3 | Very low | 34 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | | | cis | -156.4 | 167.7 | -12.8 | -100.7 | -19.3 | 0 | 0 | 0 | 110.8 | | |
| 212 | H | 38.2 | Very low | 33.9 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | | | trans | -99.5 | -150 | 172.7 | -47.1 | -60.1 | 0 | 0 | 0 | 110.5 | | |
| 213 | P | 43 | Very low | 33.7 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | | | cis | -139 | -159.5 | -19.9 | 28.8 | -3.3 | 0 | 0 | 0 | 113.7 | | |
| 214 | V | 33.6 | Very low | 34.3 | Very low | 117 Ų | 117 | 123 Ų | 123 | 71% | 0.709 | 70% | 0.697 | S | S | * | * | | | trans | 79.7 | 135.4 | 134.8 | 137.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 215 | D | 32.8 | Very low | 34.9 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 66% | 0.658 | 70% | 0.699 | S | S | * | * | | | cis | -161.4 | 156 | 12.7 | -122.8 | -11 | 0 | 0 | 0 | 115.2 | | |
| 216 | I | 35.7 | Very low | 34.9 | Very low | 128 Ų | 128 | 127 Ų | 127 | 66% | 0.656 | 71% | 0.711 | S | S | * | * | | | trans | 70.2 | 113.7 | 137.1 | -72.1 | 167.5 | 0 | 0 | 0 | 122.4 | | |
| 217 | D | 30.1 | Very low | 35 | Very low | 140 Ų | 140 | 125.4 Ų | 125.4 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | | | | 43.4 | 156.4 | 122.1 | -71.9 | -27.6 | 0 | 0 | 0 | 123 | | |
| 218 | C | 27.6 | Very low | 35.1 | Very low | 91 Ų | 91 | 126.3 Ų | 126.3 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | | | cis | 175.6 | 160.1 | -25.6 | -116.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 219 | T | 28.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | | | trans | 65.4 | 157.5 | 149.4 | 59.7 | 0 | 0 | 0 | 0 | 118.1 | | |
| 220 | T | 28.3 | Very low | 35.1 | Very low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | cis | -170.4 | 143.6 | -10.6 | -103.3 | 0 | 0 | 0 | 0 | 112 | | |
| 221 | L | 29.4 | Very low | 35.5 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | | | trans | 50.1 | 116.9 | 152.4 | -68.9 | 173.9 | 0 | 0 | 0 | 123 | | |
| 222 | E | 33.6 | Very low | 35.8 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | | | | 68.5 | 175.1 | 108.2 | -106.5 | -143.8 | 121.4 | 0 | 0 | 120.4 | | |
| 223 | P | 44.8 | Very low | 35.7 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | | | trans | -127.1 | -123.3 | -134.6 | 34.2 | -6.2 | 0 | 0 | 0 | 109.8 | | |
| 224 | P | 42.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 124 Ų | 124 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | | | cis | -117.6 | -106.3 | -31.6 | 22 | 2.3 | 0 | 0 | 0 | 115.6 | | |
| 225 | P | 43.4 | Very low | 35.2 | Very low | 103 Ų | 103 | 124.3 Ų | 124.3 | 67% | 0.669 | 72% | 0.719 | S | S | * | * | | | | -129.4 | -154.3 | -122.6 | 40.2 | -20.1 | 0 | 0 | 0 | 115.5 | | |
| 226 | M | 33 | Very low | 35.3 | Very low | 163 Ų | 163 | 123.7 Ų | 123.7 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | | | trans | 101.1 | 130 | 154.4 | -48.3 | -169.6 | 86.2 | 0 | 0 | 120 | | |
| 227 | S | 34.6 | Very low | 35 | Very low | 113 Ų | 113 | 123 Ų | 123 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | | | trans | 69.4 | 150.4 | 144.5 | 64.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 228 | S | 36.7 | Very low | 35.1 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | cis | -169.4 | -178.2 | -14.6 | 49.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 229 | D | 36.9 | Very low | 35.6 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | trans | 98.7 | 161.8 | 141.7 | -87.3 | -66.1 | 0 | 0 | 0 | 124.5 | | |
| 230 | A | 35.5 | Very low | 36.6 | Very low | 87 Ų | 87 | 124.1 Ų | 124.1 | 72% | 0.719 | 72% | 0.724 | S | S | * | * | | | trans | 77 | 82.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 231 | K | 41.4 | Very low | 36.9 | Very low | 188 Ų | 188 | 126.1 Ų | 126.1 | 82% | 0.817 | 73% | 0.73 | S | S | * | * | | | | 48.7 | 152.7 | 68.5 | -91.8 | 174.8 | -174.1 | 163.4 | 0 | 115.9 | | |
| 232 | P | 42.4 | Very low | 37.3 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | | | cis | -142.3 | -156 | -7.9 | 41.1 | -20 | 0 | 0 | 0 | 114.7 | | |
| 233 | S | 35.4 | Very low | 37.4 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | 83.4 | 145.7 | 154.8 | 69.9 | 0 | 0 | 0 | 0 | 120 | | |
| 234 | L | 34.3 | Very low | 37 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | cis | -172 | 157.4 | -14 | -96.8 | 172 | 0 | 0 | 0 | 105.2 | | |
| 235 | D | 33 | Very low | 36.6 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 67% | 0.668 | 72% | 0.723 | S | S | * | * | | | cis | -175 | 178.5 | -14.1 | -161.5 | -1.2 | 0 | 0 | 0 | 109.1 | | |
| 236 | V | 33.9 | Very low | 36.2 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | | | trans | 64.5 | 107.3 | 159.6 | 175.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 237 | T | 30.2 | Very low | 36.3 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | cis | 97.4 | 149.5 | 38.1 | 68.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 238 | S | 32.3 | Very low | 36.3 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | trans | 66.8 | 147.4 | 149.8 | 51.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 239 | E | 36.6 | Very low | 36 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | | | cis | 170.6 | 174.6 | -18.5 | -107.9 | -99.7 | 108.5 | 0 | 0 | 105.2 | | |
| 240 | P | 49.7 | Very low | 35.9 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 63% | 0.63 | 74% | 0.74 | S | S | * | * | | | trans | -102.1 | -177.6 | -157.2 | 40.8 | -39.4 | 0 | 0 | 0 | 115.3 | | |
| 241 | D | 36.2 | Very low | 35.7 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -164.9 | 152 | 161.2 | -107.9 | -7.7 | 0 | 0 | 0 | 109.5 | | |
| 242 | V | 36.9 | Very low | 35.2 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | cis | -174.5 | 167.7 | -22.9 | 71.7 | 0 | 0 | 0 | 0 | 112 | | |
| 243 | L | 35.8 | Very low | 34.6 | Very low | 132 Ų | 132 | 138 Ų | 138 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | | | trans | 70.2 | 131.1 | 150.4 | -69.8 | -179.9 | 0 | 0 | 0 | 122.4 | | |
| 244 | T | 36.2 | Very low | 34.6 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | | | | 78.2 | 150.9 | 129.9 | 57.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 245 | N | 34.7 | Very low | 34.3 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | cis | 176.6 | 159.3 | -35.1 | -115.2 | -43.4 | 0 | 0 | 0 | 108.1 | | |
| 246 | L | 33.7 | Very low | 34.5 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | trans | 42.8 | 113.9 | 145.3 | -59.4 | 164.9 | 0 | 0 | 0 | 119.2 | | |
| 247 | L | 35.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | | | | 178.8 | 157.5 | 108.7 | -87.9 | 156.8 | 0 | 0 | 0 | 110 | | |
| 248 | P | 35.6 | Very low | 35 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | | | trans | -138.7 | -163.7 | -137.9 | 40.5 | -19.5 | 0 | 0 | 0 | 114.5 | | |
| 249 | R | 30 | Very low | 35.5 | Very low | 230 Ų | 230 | 147.8 Ų | 147.8 | 87% | 0.868 | 75% | 0.753 | S | S | * | * | | | trans | 42.5 | 126 | 147.3 | -78.6 | 175.2 | 151 | 154.8 | -4 | 119.1 | | |
| 250 | L | 34.1 | Very low | 35.6 | Very low | 169 Ų | 169 | 146.8 Ų | 146.8 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | | | | -165.8 | 158.8 | 123.4 | -109.2 | 168.2 | 0 | 0 | 0 | 113.2 | | |
| 251 | D | 31.7 | Very low | 35.1 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -91.4 | 166.3 | -171.2 | -58.2 | -92.5 | 0 | 0 | 0 | 115.5 | | |
| 252 | A | 32 | Very low | 35.3 | Very low | 87 Ų | 87 | 149.6 Ų | 149.6 | 72% | 0.719 | 74% | 0.741 | S | S | * | * | | | trans | 62.4 | 107.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 253 | R | 29.2 | Very low | 35.3 | Very low | 240 Ų | 240 | 150.6 Ų | 150.6 | 91% | 0.906 | 74% | 0.742 | S | S | * | * | | | | 47.8 | 93.1 | 126.2 | -64.8 | 178.2 | 170.4 | 163.8 | -2.6 | 119.1 | | |
| 254 | K | 34.5 | Very low | 35.3 | Very low | 204 Ų | 204 | 153 Ų | 153 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | | -145.9 | 117.8 | 125.3 | -68.2 | -160.1 | 178.2 | -174.8 | 0 | 107.6 | | |
| 255 | L | 28.5 | Very low | 35.3 | Very low | 148 Ų | 148 | 155.2 Ų | 155.2 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | cis | 69 | 80.7 | 48.4 | -131.7 | -176.5 | 0 | 0 | 0 | 113.4 | N257 | L255-N257 VanDerWaalsContact CD2-OD1 3.28Å; L255-N257 WeakPolarHBondContact CD2-OD1 3.45Å |
| 256 | K | 37.3 | Very low | 35.7 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | | | trans | -146.1 | 126.5 | 141.1 | -83.2 | -173.8 | 176.4 | -175.6 | 0 | 105.4 | | |
| 257 | N | 32.4 | Very low | 36 | Very low | 100 Ų | 100 | 157.9 Ų | 157.9 | 54% | 0.535 | 77% | 0.767 | S | S | . | * | | | | 63.5 | 91.9 | 62.3 | -66.2 | 62.4 | 0 | 0 | 0 | 111.5 | L255 | L255-N257 VanDerWaalsContact CD2-OD1 3.28Å; L255-N257 WeakPolarHBondContact CD2-OD1 3.45Å |
| 258 | D | 43.4 | Very low | 36.1 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | | -165.9 | 105.9 | 102.4 | -76 | -22.2 | 0 | 0 | 0 | 105.9 | | |
| 259 | E | 41.1 | Very low | 36.1 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 58% | 0.584 | 77% | 0.774 | S | S | * | * | | | | 68.3 | 127.2 | 79.7 | -66.5 | -158.8 | -180 | 0 | 0 | 113 | | |
| 260 | R | 39 | Very low | 36.6 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | | | cis | -162.7 | 162.9 | 1.9 | -107.2 | 172.8 | -154.9 | -79.7 | -9 | 110 | | |
| 261 | E | 39.5 | Very low | 36.7 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | trans | 33.4 | 129 | 136.7 | -57.9 | 148.2 | -159.9 | 0 | 0 | 118.2 | | |
| 262 | E | 40.8 | Very low | 37.1 | Very low | 168 Ų | 168 | 147.7 Ų | 147.7 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | | | cis | -158.5 | 148 | 43.4 | -76.3 | -169.8 | 142.7 | 0 | 0 | 114.5 | | |
| 263 | L | 36.1 | Very low | 37.1 | Very low | 126 Ų | 126 | 148.9 Ų | 148.9 | 66% | 0.66 | 75% | 0.75 | S | S | * | * | | | trans | 39.5 | 114.6 | 151.5 | -72 | 78.5 | 0 | 0 | 0 | 121.1 | | |
| 264 | F | 36.3 | Very low | 37.6 | Very low | 182 Ų | 182 | 143 Ų | 143 | 80% | 0.798 | 75% | 0.746 | S | S | * | * | | | | 172.6 | 116 | 97.3 | -94.8 | -69.4 | 0 | 0 | 0 | 112.8 | | |
| 265 | I | 36.6 | Very low | 37.8 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | | | trans | 33.3 | 97.6 | 166.3 | -43.9 | 178.7 | 0 | 0 | 0 | 117.1 | | |
| 266 | D | 43.7 | Very low | 38.7 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | | | trans | -106.2 | 153.8 | 171.2 | -164.2 | 4.1 | 0 | 0 | 0 | 111.4 | G268 | D266-G268 PolarHBondContact O-N 2.73Š|
| 267 | L | 39.1 | Very low | 39.7 | Very low | 164 Ų | 164 | 132.3 Ų | 132.3 | 86% | 0.859 | 73% | 0.728 | S | S | * | * | | | trans | -100.2 | 84.8 | -159 | -69.7 | 167.6 | 0 | 0 | 0 | 114 | | |
| 268 | G | 37.3 | Very low | 41.7 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | | | trans | -100.2 | 154.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D266 | D266-G268 PolarHBondContact O-N 2.73Š|
| 269 | E | 36 | Very low | 43.5 | Very low | 197 Ų | 197 | 127.5 Ų | 127.5 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | | | cis | -119.2 | 162.8 | 7.6 | -68 | -177.9 | 118 | 0 | 0 | 112.9 | | |
| 270 | S | 40.7 | Very low | 45.3 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | | | trans | -76.1 | 144.9 | -169.1 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 271 | I | 35 | Very low | 47.2 | Very low | 100 Ų | 100 | 123.4 Ų | 123.4 | 51% | 0.513 | 72% | 0.715 | S | S | . | * | | | trans | -66.7 | 130.8 | 178.4 | -59.3 | 159.7 | 0 | 0 | 0 | 111.7 | T273 P552 | I271-T273 HydrophobicContact CG2-CG2 4.37Å; I271-T273 PolarHBondContact O-N 2.87Å; I271-P552 HydrophobicContact CD1-CG 4.45Å |
| 272 | P | 40.5 | Very low | 49.2 | Very low | 111 Ų | 111 | 121.4 Ų | 121.4 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | | | trans | -82 | 97 | 170.7 | 32.1 | -32.5 | 0 | 0 | 0 | 111.4 | S274 | P272-S274 PolarHBondContact O-N 3.32Š|
| 273 | T | 33.2 | Very low | 51 | Low | 113 Ų | 113 | 118.3 Ų | 118.3 | 69% | 0.693 | 69% | 0.694 | S | S | * | * | | | trans | -78.9 | 102.8 | 173.4 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | I271 | I271-T273 HydrophobicContact CG2-CG2 4.37Å; I271-T273 PolarHBondContact O-N 2.87Å |
| 274 | S | 39.6 | Very low | 53.3 | Low | 116 Ų | 116 | 117.4 Ų | 117.4 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | | | trans | -155.6 | 106.8 | 168 | -76 | 0 | 0 | 0 | 0 | 111.2 | P272 S276 | P272-S274 PolarHBondContact O-N 3.32Å; S274-S276 PolarHBondContact O-N 3.18Å |
| 275 | T | 38.1 | Very low | 55.3 | Low | 122 Ų | 122 | 111.4 Ų | 111.4 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | | | trans | -81.6 | 88.2 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 276 | S | 47.6 | Very low | 57.3 | Low | 102 Ų | 102 | 112 Ų | 112 | 71% | 0.713 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 122.9 | 168.2 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | S274 | S274-S276 PolarHBondContact O-N 3.18Š|
| 277 | S | 57.8 | Low | 58.8 | Low | 98 Ų | 98 | 109.1 Ų | 109.1 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 128.3 | 175 | 42.3 | 0 | 0 | 0 | 0 | 110.6 | T279 | S277-T279 PolarHBondContact O-N 2.8Š|
| 278 | V | 74.2 | Confident | 60.7 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 53% | 0.527 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 116.3 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | Q282 L283 | V278-Q282 HydrophobicContact CG1-CB 3.7Å; V278-L283 HydrophobicContact CG1-CD2 4.46Å; V278-L283 HydrophobicContact CG1-CG 3.94Å |
| 279 | T | 81.1 | Confident | 62.6 | Low | 59 Ų | 59 | 107.8 Ų | 107.8 | 36% | 0.362 | 63% | 0.626 | S | S | . | * | P | Polyproline II helix | trans | -73.9 | 157.6 | 179.8 | 64.2 | 0 | 0 | 0 | 0 | 111.4 | S277 S281 Q282 L283 | S277-T279 PolarHBondContact O-N 2.8Å; T279-S281 PolarHBondContact O-N 2.74Å; T279-S281 VanDerWaalsContact O-N 3.17Å; T279-Q282 WeakPolarHBondContact O-CA 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.36Å; T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.19Å; T279-Q282 PolarHBondContact OG1-N 2.71Å; T279-L283 PolarHBondContact O-N 2.74Å |
| 280 | P | 78.3 | Confident | 64.4 | Low | 108 Ų | 108 | 105.2 Ų | 105.2 | 70% | 0.701 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -52.9 | -36.5 | 172.9 | -28.3 | 36.3 | 0 | 0 | 0 | 112.6 | L283 L284 | P280-L283 PolarHBondContact O-N 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.18Å; P280-L284 PolarHBondContact O-N 3.03Å |
| 281 | S | 79.9 | Confident | 65.7 | Low | 90 Ų | 90 | 105.9 Ų | 105.9 | 63% | 0.629 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.8 | -35.8 | 175.1 | -41.7 | 0 | 0 | 0 | 0 | 113.3 | T279 L284 A285 | T279-S281 PolarHBondContact O-N 2.74Å; T279-S281 VanDerWaalsContact O-N 3.17Å; S281-L284 PolarHBondContact O-N 3.12Å; S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.08Å |
| 282 | Q | 81.6 | Confident | 66.7 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 47% | 0.472 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72.7 | -35.7 | 173.5 | -74.4 | 177 | -5 | 0 | 0 | 112.1 | V278 T279 R286 | V278-Q282 HydrophobicContact CG1-CB 3.7Å; T279-Q282 WeakPolarHBondContact O-CA 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.36Å; T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.19Å; T279-Q282 PolarHBondContact OG1-N 2.71Å; Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 2.82Å |
| 283 | L | 78 | Confident | 67.2 | Low | 103 Ų | 103 | 108 Ų | 108 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.6 | -44.8 | 168.6 | -84.1 | 170.1 | 0 | 0 | 0 | 110.9 | V278 T279 P280 A285 R286 L287 | V278-L283 HydrophobicContact CG1-CD2 4.46Å; V278-L283 HydrophobicContact CG1-CG 3.94Å; T279-L283 PolarHBondContact O-N 2.74Å; P280-L283 PolarHBondContact O-N 3.24Å; L283-A285 PolarHBondContact O-N 3.18Å; L283-R286 PolarHBondContact O-N 2.9Å; L283-L287 VanDerWaalsContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 PolarHBondContact O-N 2.69Å |
| 284 | L | 84.7 | Confident | 67.9 | Low | 106 Ų | 106 | 107.8 Ų | 107.8 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.2 | -40.8 | 177.9 | -147.9 | 79.9 | 0 | 0 | 0 | 111.8 | P280 S281 L287 K288 | P280-L284 WeakPolarHBondContact O-CB 3.18Å; P280-L284 PolarHBondContact O-N 3.03Å; S281-L284 PolarHBondContact O-N 3.12Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-K288 WeakPolarHBondContact O-CB 3.35Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 2.96Å |
| 285 | A | 78.7 | Confident | 68.3 | Low | 57 Ų | 57 | 110.1 Ų | 110.1 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -41.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S281 L283 K288 S289 | S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.08Å; L283-A285 PolarHBondContact O-N 3.18Å; A285-K288 PolarHBondContact O-N 2.74Å; A285-S289 WeakPolarHBondContact O-CB 3.06Å; A285-S289 PolarHBondContact O-N 3.09Å; A285-S289 PolarHBondContact O-OG 3.49Å |
| 286 | R | 78.4 | Confident | 68.9 | Low | 168 Ų | 168 | 112.8 Ų | 112.8 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 176.3 | -164 | -179 | -165.8 | 102.3 | 1.9 | 111.7 | Q282 L283 S289 H290 | Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 2.82Å; L283-R286 PolarHBondContact O-N 2.9Å; R286-S289 WeakPolarHBondContact CA-OG 3.25Å; R286-S289 PolarHBondContact O-N 3.13Å; R286-S289 PolarHBondContact O-OG 2.89Å; R286-H290 PolarHBondContact O-N 2.85Å |
| 287 | L | 74.9 | Confident | 69.2 | Low | 101 Ų | 101 | 114.2 Ų | 114.2 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.4 | -46.9 | 177.2 | -155.9 | 163.8 | 0 | 0 | 0 | 110.3 | L283 L284 S289 H290 L291 | L283-L287 VanDerWaalsContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 PolarHBondContact O-N 2.69Å; L284-L287 PolarHBondContact O-N 3.05Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.1Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 PolarHBondContact O-N 3.16Å; L287-L291 HydrophobicContact CD2-CD1 3.63Å; L287-L291 HydrophobicContact CD2-CG 4.01Å; L287-L291 WeakPolarHBondContact O-CG 3.12Å; L287-L291 PolarHBondContact O-N 3.43Å |
| 288 | K | 79.9 | Confident | 69.1 | Low | 131 Ų | 131 | 115.1 Ų | 115.1 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -56.1 | -40.4 | 170.2 | -75.8 | -174.6 | 176.3 | -166.5 | 0 | 112.4 | L284 A285 H290 L291 H292 | L284-K288 WeakPolarHBondContact O-CB 3.35Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 2.96Å; A285-K288 PolarHBondContact O-N 2.74Å; K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 2.9Å; K288-L291 PolarHBondContact O-N 2.86Å; K288-H292 PolarHBondContact O-N 2.98Å; K288-H292 PolarHBondContact O-ND1 3.07Å |
| 289 | S | 76.9 | Confident | 68.1 | Low | 76 Ų | 76 | 113 Ų | 113 | 53% | 0.531 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73 | -20.1 | 175.9 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | A285 R286 L287 | A285-S289 WeakPolarHBondContact O-CB 3.06Å; A285-S289 PolarHBondContact O-N 3.09Å; A285-S289 PolarHBondContact O-OG 3.49Å; R286-S289 WeakPolarHBondContact CA-OG 3.25Å; R286-S289 PolarHBondContact O-N 3.13Å; R286-S289 PolarHBondContact O-OG 2.89Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.1Å |
| 290 | H | 73.8 | Confident | 66.8 | Low | 143 Ų | 143 | 115.2 Ų | 115.2 | 66% | 0.662 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -88.1 | -19.6 | 171.7 | -103.1 | -35.4 | 0 | 0 | 0 | 113.4 | R286 L287 K288 | R286-H290 PolarHBondContact O-N 2.85Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 PolarHBondContact O-N 3.16Å; K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 2.9Å |
| 291 | L | 68.4 | Low | 66.5 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 69% | 0.686 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.1 | -25.8 | 169.6 | -70.1 | 170.1 | 0 | 0 | 0 | 112.2 | L287 K288 V293 | L287-L291 HydrophobicContact CD2-CD1 3.63Å; L287-L291 HydrophobicContact CD2-CG 4.01Å; L287-L291 WeakPolarHBondContact O-CG 3.12Å; L287-L291 PolarHBondContact O-N 3.43Å; K288-L291 PolarHBondContact O-N 2.86Å; L291-V293 PolarHBondContact O-N 3Å |
| 292 | H | 54.9 | Low | 66.3 | Low | 162 Ų | 162 | 108.5 Ų | 108.5 | 75% | 0.75 | 56% | 0.555 | S | S | * | * | | | trans | -80.9 | 58 | 171 | -69.1 | 80.2 | 0 | 0 | 0 | 111.9 | K288 S294 | K288-H292 PolarHBondContact O-N 2.98Å; K288-H292 PolarHBondContact O-ND1 3.07Å; H292-S294 PolarHBondContact O-N 3.31Å |
| 293 | V | 51.7 | Low | 66.1 | Low | 94 Ų | 94 | 105.9 Ų | 105.9 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | | | trans | -80.3 | 107.8 | 159.6 | 175.3 | 0 | 0 | 0 | 0 | 107.2 | L291 H295 | L291-V293 PolarHBondContact O-N 3Å; V293-H295 PolarHBondContact O-N 3.03Å |
| 294 | S | 46.9 | Very low | 66.3 | Low | 108 Ų | 108 | 107.8 Ų | 107.8 | 76% | 0.755 | 55% | 0.55 | S | S | * | . | | | trans | -65.5 | 99.6 | 173 | 52.3 | 0 | 0 | 0 | 0 | 109.8 | H292 E296 | H292-S294 PolarHBondContact O-N 3.31Å; S294-E296 PolarHBondContact O-N 2.95Å |
| 295 | H | 47.9 | Very low | 66.1 | Low | 166 Ų | 166 | 107 Ų | 107 | 77% | 0.769 | 54% | 0.54 | S | S | * | . | | | trans | -70.2 | 81.8 | 165.5 | -83.9 | -93.7 | 0 | 0 | 0 | 109.4 | V293 K297 | V293-H295 PolarHBondContact O-N 3.03Å; H295-K297 PolarHBondContact O-N 3.49Å |
| 296 | E | 51.1 | Low | 66.3 | Low | 177 Ų | 177 | 108.3 Ų | 108.3 | 83% | 0.827 | 55% | 0.545 | S | S | * | . | | | trans | -59.4 | 102 | 161.1 | -172.1 | 168.9 | -153 | 0 | 0 | 107 | S294 V298 | S294-E296 PolarHBondContact O-N 2.95Å; E296-V298 PolarHBondContact O-N 3.28Å; E296-V298 VanDerWaalsContact O-N 3.16Å |
| 297 | K | 54.2 | Low | 66.6 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 58% | 0.578 | 54% | 0.535 | S | S | * | . | | | trans | -75.8 | 105.4 | -175.4 | -72.1 | -175.7 | 178.2 | 178.5 | 0 | 108.3 | H295 V299 G1035 D1036 | H295-K297 PolarHBondContact O-N 3.49Å; K297-V299 HydrophobicContact CB-CG2 3.7Å; K297-V299 HydrophobicContact CD-CG2 4.43Å; K297-V299 PolarHBondContact O-N 2.75Å; K297-G1035 CarbonylContact O-C 3.53Å; K297-D1036 PolarHBondContact O-N 3.27Å |
| 298 | V | 56.1 | Low | 67.2 | Low | 117 Ų | 117 | 104.5 Ų | 104.5 | 71% | 0.709 | 54% | 0.536 | S | S | * | . | | | trans | -64.5 | 88 | 157.5 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | E296 | E296-V298 PolarHBondContact O-N 3.28Å; E296-V298 VanDerWaalsContact O-N 3.16Å |
| 299 | V | 52.4 | Low | 67.4 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 26% | 0.261 | 52% | 0.524 | S | S | . | . | | | trans | -75.8 | -178.2 | 165.5 | -172.7 | 0 | 0 | 0 | 0 | 106.8 | K297 P330 D1036 | K297-V299 HydrophobicContact CB-CG2 3.7Å; K297-V299 HydrophobicContact CD-CG2 4.43Å; K297-V299 PolarHBondContact O-N 2.75Å; V299-P330 HydrophobicContact CG1-CB 4.38Å; V299-P330 HydrophobicContact CG1-CG 4.15Å; V299-D1036 WeakPolarHBondContact CA-OD1 3.23Å; V299-D1036 HydrophobicContact CB-CB 4.24Å; V299-D1036 WeakPolarHBondContact CB-OD1 3.45Å; V299-D1036 WeakPolarHBondContact CB-OD2 3.42Å; V299-D1036 WeakPolarHBondContact CG1-OD1 3.32Å; V299-D1036 WeakPolarHBondContact CG1-OD2 3.5Å |
| 300 | R | 53.4 | Low | 67.9 | Low | 105 Ų | 105 | 103.5 Ų | 103.5 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | | | trans | -133 | 140.4 | -153.3 | -162.8 | 171 | -174.1 | 166.8 | 0.9 | 109.2 | P330 I575 D1036 | R300-P330 WeakPolarHBondContact O-CG 3.38Å; R300-I575 VanDerWaalsContact NH1-CG2 3.28Å; R300-D1036 PolarHBondContact N-OD1 2.88Å |
| 301 | G | 72 | Confident | 68.4 | Low | 4 Ų | 4 | 99.3 Ų | 99.3 | 4% | 0.041 | 51% | 0.511 | C | S | . | . | | | trans | -66.9 | 170.1 | -175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I303 E1038 | G301-I303 WeakPolarHBondContact O-CG1 3.29Å; G301-I303 PolarHBondContact O-N 3.32Å; G301-E1038 WeakPolarHBondContact CA-OE1 3.31Å; G301-E1038 PolarHBondContact N-OE1 3.39Å |
| 302 | P | 75.5 | Confident | 69 | Low | 53 Ų | 53 | 100 Ų | 100 | 34% | 0.344 | 51% | 0.511 | S | S | . | . | | | trans | -49.1 | 110.4 | 179.6 | 8.2 | -23.3 | 0 | 0 | 0 | 113.6 | Q304 T327 H328 E329 | P302-Q304 PolarHBondContact O-N 2.87Å; P302-T327 HydrophobicContact CB-CG2 3.61Å; P302-H328 WeakPolarHBondContact CA-O 3.46Å; P302-E329 HydrophobicContact CB-CG 4.49Å; P302-E329 WeakPolarHBondContact CB-OE2 3.29Å; P302-E329 WeakPolarHBondContact CG-OE2 3.48Å |
| 303 | I | 77.4 | Confident | 69.7 | Low | 46 Ų | 46 | 94.4 Ų | 94.4 | 24% | 0.236 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.1 | -179.3 | -52.4 | -179.6 | 0 | 0 | 0 | 108.4 | G301 Y305 H328 | G301-I303 WeakPolarHBondContact O-CG1 3.29Å; G301-I303 PolarHBondContact O-N 3.32Å; I303-Y305 HydrophobicContact CB-CE2 4.05Å; I303-Y305 HydrophobicContact CG2-CD1 4.36Å; I303-Y305 HydrophobicContact CG2-CD2 4.41Å; I303-Y305 HydrophobicContact CG2-CE1 3.78Å; I303-Y305 HydrophobicContact CG2-CE2 3.85Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.5Å; I303-H328 PolarHBondContact N-O 3.31Å; I303-H328 PolarHBondContact O-N 3.17Å |
| 304 | Q | 81.9 | Confident | 70.6 | Confident | 143 Ų | 143 | 95.6 Ų | 95.6 | 67% | 0.668 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.5 | 174.6 | -64 | -171.3 | 3.2 | 0 | 0 | 110.7 | P302 T327 | P302-Q304 PolarHBondContact O-N 2.87Å; Q304-T327 HydrophobicContact CG-CG2 4.1Å |
| 305 | Y | 81.3 | Confident | 71.8 | Confident | 89 Ų | 89 | 97.7 Ų | 97.7 | 35% | 0.349 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136 | 172.9 | -58.6 | -77.1 | 0 | 0 | 0 | 109.8 | I303 T325 V326 H328 | I303-Y305 HydrophobicContact CB-CE2 4.05Å; I303-Y305 HydrophobicContact CG2-CD1 4.36Å; I303-Y305 HydrophobicContact CG2-CD2 4.41Å; I303-Y305 HydrophobicContact CG2-CE1 3.78Å; I303-Y305 HydrophobicContact CG2-CE2 3.85Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.5Å; Y305-T325 CarbonylContact O-C 3.59Å; Y305-T325 WeakPolarHBondContact O-CA 3.32Å; Y305-V326 PolarHBondContact N-O 2.94Å; Y305-V326 PolarHBondContact O-N 3.27Å; Y305-H328 HydrophobicContact CD2-CB 4.28Å; Y305-H328 HydrophobicContact CE2-CB 3.79Å |
| 306 | S | 83.8 | Confident | 72.3 | Confident | 84 Ų | 84 | 91.9 Ų | 91.9 | 59% | 0.587 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 102.5 | 172.1 | -62.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 307 | I | 84.7 | Confident | 73.1 | Confident | 81 Ų | 81 | 93 Ų | 93 | 42% | 0.415 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 134.6 | 176.3 | -53.1 | -179.7 | 0 | 0 | 0 | 107.7 | T309 V323 E324 V326 | I307-T309 HydrophobicContact CG2-CG2 4.09Å; I307-V323 CarbonylContact O-C 3.58Å; I307-V323 WeakPolarHBondContact O-CA 3.27Å; I307-E324 PolarHBondContact N-O 2.94Å; I307-E324 PolarHBondContact O-N 3.31Å; I307-V326 HydrophobicContact CD1-CB 4.43Å; I307-V326 HydrophobicContact CD1-CG2 3.66Å; I307-V326 HydrophobicContact CG1-CG2 4.37Å |
| 308 | I | 86.5 | Confident | 73.8 | Confident | 109 Ų | 109 | 95.9 Ų | 95.9 | 56% | 0.559 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.9 | 175.4 | -50.9 | -176.6 | 0 | 0 | 0 | 108.1 | L321 Q322 V323 | I308-L321 HydrophobicContact CG2-CB 3.98Å; I308-L321 HydrophobicContact CG2-CD2 4.23Å; I308-L321 HydrophobicContact CG2-CG 4.49Å; I308-Q322 WeakPolarHBondContact CA-O 3.34Å; I308-V323 HydrophobicContact CG1-CG1 4.5Å; I308-V323 HydrophobicContact CG1-CG2 4.24Å; I308-V323 HydrophobicContact CG2-CG2 4.46Å |
| 309 | T | 84.7 | Confident | 75 | Confident | 52 Ų | 52 | 96 Ų | 96 | 32% | 0.319 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 146 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 110.6 | I307 L321 Q322 | I307-T309 HydrophobicContact CG2-CG2 4.09Å; T309-L321 WeakPolarHBondContact O-CA 3.47Å; T309-Q322 PolarHBondContact N-O 3.46Å; T309-Q322 PolarHBondContact O-N 2.81Å; T309-Q322 PolarHBondContact OG1-O 2.81Å |
| 310 | K | 88.1 | Confident | 76.3 | Confident | 134 Ų | 134 | 99.9 Ų | 99.9 | 58% | 0.583 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 110.8 | 177.7 | -173.6 | -176.6 | -178.2 | -172.5 | 0 | 108.7 | E319 L321 | K310-E319 WeakPolarHBondContact CE-OE1 3.49Å; K310-E319 WeakPolarHBondContact CE-OE2 2.91Å; K310-E319 IonicContact NZ-OE1 3.27Å; K310-E319 PolarHBondContact NZ-OE1 2.88Å; K310-E319 IonicContact NZ-OE2 3.75Å; K310-E319 PolarHBondContact NZ-OE2 2.93Å; K310-L321 HydrophobicContact CB-CD2 4.22Å; K310-L321 HydrophobicContact CG-CD2 4.3Å |
| 311 | V | 83.5 | Confident | 77.8 | Confident | 55 Ų | 55 | 100.6 Ų | 100.6 | 33% | 0.333 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 129.6 | -173.5 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | E320 Q322 | V311-E320 PolarHBondContact N-O 3.45Å; V311-E320 PolarHBondContact O-N 2.87Å; V311-Q322 HydrophobicContact CG2-CB 4.08Å |
| 312 | Q | 80.3 | Confident | 78.3 | Confident | 146 Ų | 146 | 105.4 Ų | 105.4 | 68% | 0.682 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.7 | 166.2 | -76.9 | -177.8 | -18.3 | 0 | 0 | 109 | | |
| 313 | S | 69.3 | Low | 78.8 | Confident | 43 Ų | 43 | 107.1 Ų | 107.1 | 30% | 0.301 | 55% | 0.548 | S | S | . | . | | | trans | -70.2 | 138.5 | 174 | 80.5 | 0 | 0 | 0 | 0 | 110.3 | D315 A316 R318 | S313-D315 PolarHBondContact O-N 3.45Å; S313-D315 VanDerWaalsContact O-N 3.14Å; S313-A316 PolarHBondContact O-N 3.19Å; S313-A316 PolarHBondContact OG-N 3.38Å; S313-A316 PolarHBondContact OG-O 2.89Å; S313-R318 PolarHBondContact N-O 2.81Å |
| 314 | S | 71 | Confident | 79 | Confident | 119 Ų | 119 | 110 Ų | 110 | 83% | 0.832 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -22.5 | -179.7 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 315 | D | 71.7 | Confident | 79 | Confident | 153 Ų | 153 | 107.6 Ų | 107.6 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -3.7 | -167.2 | -68 | 28.7 | 0 | 0 | 0 | 112.4 | S313 | S313-D315 PolarHBondContact O-N 3.45Å; S313-D315 VanDerWaalsContact O-N 3.14Å |
| 316 | A | 59.9 | Low | 79 | Confident | 43 Ų | 43 | 105.9 Ų | 105.9 | 36% | 0.355 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -157.2 | 143 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | S313 R318 | S313-A316 PolarHBondContact O-N 3.19Å; S313-A316 PolarHBondContact OG-N 3.38Å; S313-A316 PolarHBondContact OG-O 2.89Å; A316-R318 HydrophobicContact CB-CB 4.42Å; A316-R318 HydrophobicContact CB-CG 4.31Å; A316-R318 PolarHBondContact O-N 3.46Å |
| 317 | E | 67 | Low | 78.9 | Confident | 200 Ų | 200 | 105.1 Ų | 105.1 | 94% | 0.935 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -69.4 | 35.2 | 172.9 | -57.7 | 170 | 139.1 | 0 | 0 | 112.9 | | |
| 318 | R | 69.8 | Low | 78.1 | Confident | 195 Ų | 195 | 105.8 Ų | 105.8 | 74% | 0.736 | 55% | 0.547 | S | S | * | . | | | trans | -99.4 | 124.4 | 174.4 | -71.2 | 176.3 | 174.4 | -89.5 | -8.8 | 108.1 | S313 A316 | S313-R318 PolarHBondContact N-O 2.81Å; A316-R318 HydrophobicContact CB-CB 4.42Å; A316-R318 HydrophobicContact CB-CG 4.31Å; A316-R318 PolarHBondContact O-N 3.46Å |
| 319 | E | 79.8 | Confident | 77.5 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 119.6 | 170 | -46.5 | -173.6 | 124.5 | 0 | 0 | 107.9 | K310 | K310-E319 WeakPolarHBondContact CE-OE1 3.49Å; K310-E319 WeakPolarHBondContact CE-OE2 2.91Å; K310-E319 IonicContact NZ-OE1 3.27Å; K310-E319 PolarHBondContact NZ-OE1 2.88Å; K310-E319 IonicContact NZ-OE2 3.75Å; K310-E319 PolarHBondContact NZ-OE2 2.93Å |
| 320 | E | 81.3 | Confident | 76.5 | Confident | 126 Ų | 126 | 106 Ų | 106 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141.3 | 177.7 | -170.9 | 159.1 | -166.1 | 0 | 0 | 109.6 | V311 | V311-E320 PolarHBondContact N-O 3.45Å; V311-E320 PolarHBondContact O-N 2.87Å |
| 321 | L | 84.6 | Confident | 75.1 | Confident | 120 Ų | 120 | 103.4 Ų | 103.4 | 63% | 0.628 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 101.9 | 175.8 | -65.9 | 179.6 | 0 | 0 | 0 | 108.4 | I308 T309 K310 | I308-L321 HydrophobicContact CG2-CB 3.98Å; I308-L321 HydrophobicContact CG2-CD2 4.23Å; I308-L321 HydrophobicContact CG2-CG 4.49Å; T309-L321 WeakPolarHBondContact O-CA 3.47Å; K310-L321 HydrophobicContact CB-CD2 4.22Å; K310-L321 HydrophobicContact CG-CD2 4.3Å |
| 322 | Q | 82.5 | Confident | 73.9 | Confident | 105 Ų | 105 | 105 Ų | 105 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.5 | 178.4 | -174.2 | 169.1 | -17.2 | 0 | 0 | 108.9 | I308 T309 V311 | I308-Q322 WeakPolarHBondContact CA-O 3.34Å; T309-Q322 PolarHBondContact N-O 3.46Å; T309-Q322 PolarHBondContact O-N 2.81Å; T309-Q322 PolarHBondContact OG1-O 2.81Å; V311-Q322 HydrophobicContact CG2-CB 4.08Å |
| 323 | V | 85.7 | Confident | 72.6 | Confident | 89 Ų | 89 | 100.1 Ų | 100.1 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.6 | 179.9 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | I307 I308 | I307-V323 CarbonylContact O-C 3.58Å; I307-V323 WeakPolarHBondContact O-CA 3.27Å; I308-V323 HydrophobicContact CG1-CG1 4.5Å; I308-V323 HydrophobicContact CG1-CG2 4.24Å; I308-V323 HydrophobicContact CG2-CG2 4.46Å |
| 324 | E | 81.5 | Confident | 71.6 | Confident | 105 Ų | 105 | 102.4 Ų | 102.4 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.9 | -179.7 | -178.4 | 151.5 | -141.8 | 0 | 0 | 110.4 | I307 V326 | I307-E324 PolarHBondContact N-O 2.94Å; I307-E324 PolarHBondContact O-N 3.31Å; E324-V326 HydrophobicContact CG-CG2 4.45Å |
| 325 | T | 82.9 | Confident | 70.5 | Confident | 93 Ų | 93 | 100.4 Ų | 100.4 | 57% | 0.571 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 102 | -174.7 | 54 | 0 | 0 | 0 | 0 | 110.8 | Y305 | Y305-T325 CarbonylContact O-C 3.59Å; Y305-T325 WeakPolarHBondContact O-CA 3.32Å |
| 326 | V | 81.3 | Confident | 69.6 | Low | 54 Ų | 54 | 97.6 Ų | 97.6 | 33% | 0.327 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 128.6 | 178.8 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | Y305 I307 E324 | Y305-V326 PolarHBondContact N-O 2.94Å; Y305-V326 PolarHBondContact O-N 3.27Å; I307-V326 HydrophobicContact CD1-CB 4.43Å; I307-V326 HydrophobicContact CD1-CG2 3.66Å; I307-V326 HydrophobicContact CG1-CG2 4.37Å; E324-V326 HydrophobicContact CG-CG2 4.45Å |
| 327 | T | 81.1 | Confident | 69.1 | Low | 68 Ų | 68 | 98.9 Ų | 98.9 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 121.5 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 109.8 | P302 Q304 | P302-T327 HydrophobicContact CB-CG2 3.61Å; Q304-T327 HydrophobicContact CG-CG2 4.1Å |
| 328 | H | 68.5 | Low | 68.2 | Low | 95 Ų | 95 | 94.7 Ų | 94.7 | 44% | 0.44 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 100.8 | 179.2 | 177 | -75.2 | 0 | 0 | 0 | 110.8 | P302 I303 Y305 P330 | P302-H328 WeakPolarHBondContact CA-O 3.46Å; I303-H328 PolarHBondContact N-O 3.31Å; I303-H328 PolarHBondContact O-N 3.17Å; Y305-H328 HydrophobicContact CD2-CB 4.28Å; Y305-H328 HydrophobicContact CE2-CB 3.79Å; H328-P330 WeakPolarHBondContact O-CD 3.37Å |
| 329 | E | 74.1 | Confident | 67.7 | Low | 127 Ų | 127 | 89 Ų | 89 | 59% | 0.593 | 50% | 0.495 | S | S | * | . | | | trans | -72.6 | 117 | 164.3 | -56.3 | -72.3 | 172 | 0 | 0 | 108.8 | P302 S331 | P302-E329 HydrophobicContact CB-CG 4.49Å; P302-E329 WeakPolarHBondContact CB-OE2 3.29Å; P302-E329 WeakPolarHBondContact CG-OE2 3.48Å; E329-S331 PolarHBondContact O-N 2.74Å; E329-S331 VanDerWaalsContact O-N 3.13Å |
| 330 | P | 63.5 | Low | 66.9 | Low | 37 Ų | 37 | 86.8 Ų | 86.8 | 24% | 0.24 | 49% | 0.489 | C | S | . | . | | | trans | -69.5 | 112.5 | 176.7 | 24.7 | -27.9 | 0 | 0 | 0 | 111 | V299 R300 H328 K332 | V299-P330 HydrophobicContact CG1-CB 4.38Å; V299-P330 HydrophobicContact CG1-CG 4.15Å; R300-P330 WeakPolarHBondContact O-CG 3.38Å; H328-P330 WeakPolarHBondContact O-CD 3.37Å; P330-K332 PolarHBondContact O-N 2.93Å |
| 331 | S | 57.2 | Low | 66.3 | Low | 81 Ų | 81 | 84.6 Ų | 84.6 | 57% | 0.566 | 49% | 0.488 | S | S | * | . | | | trans | -65.6 | 108.2 | -179.4 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | E329 G333 L334 | E329-S331 PolarHBondContact O-N 2.74Å; E329-S331 VanDerWaalsContact O-N 3.13Å; S331-G333 PolarHBondContact O-N 3.47Å; S331-L334 PolarHBondContact O-N 2.7Å |
| 332 | K | 58.1 | Low | 65.8 | Low | 87 Ų | 87 | 85.5 Ų | 85.5 | 38% | 0.378 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -53.8 | -25.8 | -179.8 | -68.6 | 169.5 | 166.3 | 175.6 | 0 | 114.3 | P330 L334 E1034 D1036 | P330-K332 PolarHBondContact O-N 2.93Å; K332-L334 PolarHBondContact O-N 3.09Å; K332-E1034 HydrophobicContact CB-CB 4Å; K332-E1034 HydrophobicContact CB-CG 3.7Å; K332-E1034 WeakPolarHBondContact CB-OE1 3.34Å; K332-E1034 HydrophobicContact CD-CB 4.12Å; K332-E1034 WeakPolarHBondContact CD-OE2 3.38Å; K332-E1034 HydrophobicContact CG-CB 4.26Å; K332-E1034 HydrophobicContact CG-CG 4.48Å; K332-D1036 VanDerWaalsContact CE-CG 3.41Å; K332-D1036 WeakPolarHBondContact CE-OD2 3.14Å; K332-D1036 WeakPolarHBondContact CG-OD2 3.45Å; K332-D1036 IonicContact NZ-OD2 2.75Å |
| 333 | G | 54.2 | Low | 65.9 | Low | 44 Ų | 44 | 86.3 Ų | 86.3 | 45% | 0.454 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -81.1 | -4.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | S331 S335 | S331-G333 PolarHBondContact O-N 3.47Å; G333-S335 VanDerWaalsContact C-N 3.32Å; G333-S335 PolarHBondContact O-N 2.76Å |
| 334 | L | 47.9 | Very low | 65.6 | Low | 92 Ų | 92 | 87.5 Ų | 87.5 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -81.9 | 5.2 | -169.9 | -68.9 | 173 | 0 | 0 | 0 | 115.9 | S331 K332 T336 T337 | S331-L334 PolarHBondContact O-N 2.7Å; K332-L334 PolarHBondContact O-N 3.09Å; L334-T336 PolarHBondContact O-N 3.48Å; L334-T336 VanDerWaalsContact O-N 3.11Å; L334-T337 HydrophobicContact CD2-CG2 3.76Å; L334-T337 PolarHBondContact O-N 3.31Å; L334-T337 VanDerWaalsContact O-N 3.12Å; L334-T337 PolarHBondContact O-OG1 2.92Å |
| 335 | S | 48.6 | Very low | 65.7 | Low | 77 Ų | 77 | 89.8 Ų | 89.8 | 54% | 0.538 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -66.9 | -14.6 | -178 | -160.1 | 0 | 0 | 0 | 0 | 114.3 | G333 | G333-S335 VanDerWaalsContact C-N 3.32Å; G333-S335 PolarHBondContact O-N 2.76Å |
| 336 | T | 51.7 | Low | 66 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 57% | 0.571 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -86.9 | -30.5 | 172.1 | 48.2 | 0 | 0 | 0 | 0 | 113.1 | L334 I338 S339 V340 | L334-T336 PolarHBondContact O-N 3.48Å; L334-T336 VanDerWaalsContact O-N 3.11Å; T336-I338 VanDerWaalsContact C-N 3.3Å; T336-I338 PolarHBondContact O-N 3.29Å; T336-S339 PolarHBondContact O-N 3.01Å; T336-S339 VanDerWaalsContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.47Å; T336-V340 WeakPolarHBondContact O-CG2 3.47Å; T336-V340 PolarHBondContact O-N 3.24Å |
| 337 | T | 50.5 | Low | 66.3 | Low | 70 Ų | 70 | 91.2 Ų | 91.2 | 43% | 0.429 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.8 | -29.3 | -176.7 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | L334 V340 S341 | L334-T337 HydrophobicContact CD2-CG2 3.76Å; L334-T337 PolarHBondContact O-N 3.31Å; L334-T337 VanDerWaalsContact O-N 3.12Å; L334-T337 PolarHBondContact O-OG1 2.92Å; T337-V340 PolarHBondContact O-N 3.38Å; T337-S341 WeakPolarHBondContact O-CB 3.3Å; T337-S341 PolarHBondContact O-N 2.9Å |
| 338 | I | 48.1 | Very low | 66.8 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.5 | -40.1 | 171.6 | -56.3 | 177.4 | 0 | 0 | 0 | 110.9 | T336 S341 R342 | T336-I338 VanDerWaalsContact C-N 3.3Å; T336-I338 PolarHBondContact O-N 3.29Å; I338-S341 PolarHBondContact O-N 3.39Å; I338-R342 PolarHBondContact O-N 3.47Å |
| 339 | S | 58.2 | Low | 67.7 | Low | 74 Ų | 74 | 94.6 Ų | 94.6 | 52% | 0.517 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.7 | -35.5 | 176.1 | 73.1 | 0 | 0 | 0 | 0 | 112 | T336 R342 K343 | T336-S339 PolarHBondContact O-N 3.01Å; T336-S339 VanDerWaalsContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.47Å; S339-R342 PolarHBondContact O-N 3.06Å; S339-K343 WeakPolarHBondContact O-CB 3.35Å; S339-K343 PolarHBondContact O-N 3.04Å |
| 340 | V | 62.9 | Low | 68.5 | Low | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 170.4 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | T336 T337 K343 H344 | T336-V340 WeakPolarHBondContact O-CG2 3.47Å; T336-V340 PolarHBondContact O-N 3.24Å; T337-V340 PolarHBondContact O-N 3.38Å; V340-K343 PolarHBondContact O-N 3.17Å; V340-H344 VanDerWaalsContact CG1-CE1 3.46Å; V340-H344 WeakPolarHBondContact CG1-CE1 3.47Å; V340-H344 WeakPolarHBondContact CG1-ND1 3.32Å; V340-H344 PolarHBondContact O-N 3.43Å; V340-H344 PolarHBondContact O-ND1 3.2Å |
| 341 | S | 69.7 | Low | 69.9 | Low | 81 Ų | 81 | 98.8 Ų | 98.8 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -40.8 | 175.2 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | T337 I338 W345 | T337-S341 WeakPolarHBondContact O-CB 3.3Å; T337-S341 PolarHBondContact O-N 2.9Å; I338-S341 PolarHBondContact O-N 3.39Å; S341-W345 WeakPolarHBondContact O-CB 3.49Å; S341-W345 PolarHBondContact O-N 3.5Å |
| 342 | R | 74.2 | Confident | 71.7 | Confident | 138 Ų | 138 | 99.1 Ų | 99.1 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -35.9 | 174.7 | -177 | 168.8 | -79.5 | -166.4 | -3.1 | 112.2 | I338 S339 W345 L346 E571 | I338-R342 PolarHBondContact O-N 3.47Å; S339-R342 PolarHBondContact O-N 3.06Å; R342-W345 PolarHBondContact O-N 2.82Å; R342-L346 HydrophobicContact CG-CD1 4.24Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.4Å; R342-L346 PolarHBondContact O-N 2.86Å; R342-E571 IonicContact CZ-OE1 3.24Å; R342-E571 IonicContact NE-OE1 3.18Å; R342-E571 IonicContact NH2-OE1 2.73Å; R342-E571 PolarHBondContact NH2-OE1 3.36Å; R342-E571 IonicContact NH2-OE2 2.66Å |
| 343 | K | 83.6 | Confident | 73.3 | Confident | 122 Ų | 122 | 99.9 Ų | 99.9 | 53% | 0.53 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -50.5 | 173.5 | -175.2 | 173.8 | -178.4 | -71 | 0 | 111.3 | S339 V340 W345 L346 E347 | S339-K343 WeakPolarHBondContact O-CB 3.35Å; S339-K343 PolarHBondContact O-N 3.04Å; V340-K343 PolarHBondContact O-N 3.17Å; K343-W345 VanDerWaalsContact C-N 3.3Å; K343-W345 PolarHBondContact O-N 3.04Å; K343-L346 PolarHBondContact O-N 3.02Å; K343-E347 WeakPolarHBondContact CE-OE1 3.5Å; K343-E347 WeakPolarHBondContact CG-OE1 3.4Å; K343-E347 IonicContact NZ-OE1 3.73Å; K343-E347 PolarHBondContact NZ-OE1 3.05Å; K343-E347 IonicContact NZ-OE2 2.75Å; K343-E347 WeakPolarHBondContact O-CG 3.39Å; K343-E347 PolarHBondContact O-N 3Å |
| 344 | H | 80.7 | Confident | 75 | Confident | 115 Ų | 115 | 100.9 Ų | 100.9 | 53% | 0.532 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -37.1 | 174.9 | -74.8 | 87.9 | 0 | 0 | 0 | 112.4 | V340 E347 H348 | V340-H344 VanDerWaalsContact CG1-CE1 3.46Å; V340-H344 WeakPolarHBondContact CG1-CE1 3.47Å; V340-H344 WeakPolarHBondContact CG1-ND1 3.32Å; V340-H344 PolarHBondContact O-N 3.43Å; V340-H344 PolarHBondContact O-ND1 3.2Å; H344-E347 PolarHBondContact O-N 2.76Å; H344-H348 VanDerWaalsContact O-CB 3.22Å; H344-H348 WeakPolarHBondContact O-CB 3.33Å; H344-H348 PolarHBondContact O-N 3Å |
| 345 | W | 82.4 | Confident | 77.2 | Confident | 152 Ų | 152 | 103.4 Ų | 103.4 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 175.6 | -173.2 | 89.9 | 0 | 0 | 0 | 112.6 | S341 R342 K343 R349 | S341-W345 WeakPolarHBondContact O-CB 3.49Å; S341-W345 PolarHBondContact O-N 3.5Å; R342-W345 PolarHBondContact O-N 2.82Å; K343-W345 VanDerWaalsContact C-N 3.3Å; K343-W345 PolarHBondContact O-N 3.04Å; W345-R349 VanDerWaalsContact O-CB 3.24Å; W345-R349 WeakPolarHBondContact O-CB 3.46Å; W345-R349 PolarHBondContact O-N 2.77Å |
| 346 | L | 88.7 | Confident | 79 | Confident | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.3 | -38.1 | 174.2 | -72.2 | 168.6 | 0 | 0 | 0 | 112.1 | R342 K343 R349 K350 | R342-L346 HydrophobicContact CG-CD1 4.24Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.4Å; R342-L346 PolarHBondContact O-N 2.86Å; K343-L346 PolarHBondContact O-N 3.02Å; L346-R349 PolarHBondContact O-N 3.29Å; L346-K350 WeakPolarHBondContact O-CB 3.44Å; L346-K350 PolarHBondContact O-N 3.28Å |
| 347 | E | 89.4 | Confident | 81 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 38% | 0.379 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67 | -47.5 | 175 | -74.3 | 165 | 175.1 | 0 | 0 | 111.4 | K343 H344 R349 K350 V351 | K343-E347 WeakPolarHBondContact CE-OE1 3.5Å; K343-E347 WeakPolarHBondContact CG-OE1 3.4Å; K343-E347 IonicContact NZ-OE1 3.73Å; K343-E347 PolarHBondContact NZ-OE1 3.05Å; K343-E347 IonicContact NZ-OE2 2.75Å; K343-E347 WeakPolarHBondContact O-CG 3.39Å; K343-E347 PolarHBondContact O-N 3Å; H344-E347 PolarHBondContact O-N 2.76Å; E347-R349 VanDerWaalsContact C-N 3.31Å; E347-R349 PolarHBondContact O-N 3.35Å; E347-K350 PolarHBondContact O-N 2.85Å; E347-K350 VanDerWaalsContact O-N 3.15Å; E347-V351 WeakPolarHBondContact O-CG2 3.45Å; E347-V351 PolarHBondContact O-N 3.12Å |
| 348 | H | 89.9 | Confident | 83.1 | Confident | 112 Ų | 112 | 108.1 Ų | 108.1 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -40.3 | 173.7 | 179 | -112.3 | 0 | 0 | 0 | 112.1 | H344 V351 L352 | H344-H348 VanDerWaalsContact O-CB 3.22Å; H344-H348 WeakPolarHBondContact O-CB 3.33Å; H344-H348 PolarHBondContact O-N 3Å; H348-V351 PolarHBondContact O-N 2.75Å; H348-L352 WeakPolarHBondContact O-CG 3.46Å; H348-L352 PolarHBondContact O-N 3.01Å |
| 349 | R | 87.5 | Confident | 85.2 | Confident | 123 Ų | 123 | 108.5 Ų | 108.5 | 46% | 0.464 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 172.8 | 178 | 177.2 | 170.1 | 160.7 | 3.6 | 111.8 | W345 L346 E347 V351 L352 E353 | W345-R349 VanDerWaalsContact O-CB 3.24Å; W345-R349 WeakPolarHBondContact O-CB 3.46Å; W345-R349 PolarHBondContact O-N 2.77Å; L346-R349 PolarHBondContact O-N 3.29Å; E347-R349 VanDerWaalsContact C-N 3.31Å; E347-R349 PolarHBondContact O-N 3.35Å; R349-V351 VanDerWaalsContact C-N 3.31Å; R349-V351 PolarHBondContact O-N 2.95Å; R349-L352 PolarHBondContact O-N 2.85Å; R349-E353 IonicContact CZ-OE1 3.04Å; R349-E353 VanDerWaalsContact CZ-OE1 3.27Å; R349-E353 IonicContact NE-OE1 3.12Å; R349-E353 PolarHBondContact NE-OE1 3.28Å; R349-E353 IonicContact NH2-OE1 2.77Å; R349-E353 PolarHBondContact NH2-OE1 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 2.86Å |
| 350 | K | 92.2 | Very high | 86.8 | Confident | 156 Ų | 156 | 111.7 Ų | 111.7 | 68% | 0.678 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.3 | -39.1 | 176.6 | -171.4 | -178 | 178.6 | -173.4 | 0 | 111.7 | L346 E347 E353 E354 | L346-K350 WeakPolarHBondContact O-CB 3.44Å; L346-K350 PolarHBondContact O-N 3.28Å; E347-K350 PolarHBondContact O-N 2.85Å; E347-K350 VanDerWaalsContact O-N 3.15Å; K350-E353 PolarHBondContact O-N 3.38Å; K350-E354 WeakPolarHBondContact O-CB 3.43Å; K350-E354 PolarHBondContact O-N 2.85Å |
| 351 | V | 93.2 | Very high | 88.2 | Confident | 95 Ų | 95 | 113 Ų | 113 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.7 | -38.3 | 174.7 | 170.1 | 0 | 0 | 0 | 0 | 111.9 | E347 H348 R349 K355 | E347-V351 WeakPolarHBondContact O-CG2 3.45Å; E347-V351 PolarHBondContact O-N 3.12Å; H348-V351 PolarHBondContact O-N 2.75Å; R349-V351 VanDerWaalsContact C-N 3.31Å; R349-V351 PolarHBondContact O-N 2.95Å; V351-K355 VanDerWaalsContact O-CB 3.32Å; V351-K355 WeakPolarHBondContact O-CB 2.71Å; V351-K355 PolarHBondContact O-N 2.9Å |
| 352 | L | 93 | Very high | 89.3 | Confident | 89 Ų | 89 | 114.3 Ų | 114.3 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -42.4 | 173.6 | -75.9 | 171.4 | 0 | 0 | 0 | 112.5 | H348 R349 E354 K355 M356 | H348-L352 WeakPolarHBondContact O-CG 3.46Å; H348-L352 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 2.85Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-K355 PolarHBondContact O-N 2.81Å; L352-M356 WeakPolarHBondContact O-CB 3.42Å; L352-M356 VanDerWaalsContact O-CG 3.26Å; L352-M356 WeakPolarHBondContact O-CG 3.41Å; L352-M356 PolarHBondContact O-N 3.41Å |
| 353 | E | 91.7 | Very high | 89.8 | Confident | 102 Ų | 102 | 112.6 Ų | 112.6 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 175.8 | -72.7 | 172.2 | 178 | 0 | 0 | 111 | R349 K350 M356 R357 | R349-E353 IonicContact CZ-OE1 3.04Å; R349-E353 VanDerWaalsContact CZ-OE1 3.27Å; R349-E353 IonicContact NE-OE1 3.12Å; R349-E353 PolarHBondContact NE-OE1 3.28Å; R349-E353 IonicContact NH2-OE1 2.77Å; R349-E353 PolarHBondContact NH2-OE1 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 2.86Å; K350-E353 PolarHBondContact O-N 3.38Å; E353-M356 PolarHBondContact O-N 2.9Å; E353-R357 PolarHBondContact O-N 2.8Å |
| 354 | E | 91.5 | Very high | 89.9 | Confident | 66 Ų | 66 | 113 Ų | 113 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 173.5 | 176.8 | 55.5 | -158.9 | 0 | 0 | 112.8 | K350 L352 M356 R357 Q358 | K350-E354 WeakPolarHBondContact O-CB 3.43Å; K350-E354 PolarHBondContact O-N 2.85Å; L352-E354 VanDerWaalsContact C-N 3.34Å; E354-M356 VanDerWaalsContact C-N 3.26Å; E354-M356 PolarHBondContact O-N 3.19Å; E354-R357 CarbonylContact O-C 3.54Å; E354-R357 WeakPolarHBondContact O-CA 3.16Å; E354-R357 VanDerWaalsContact O-CB 3.29Å; E354-R357 WeakPolarHBondContact O-CB 3.05Å; E354-R357 PolarHBondContact O-N 2.86Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.97Å; E354-R357 PolarHBondContact OE1-NE 3.49Å; E354-R357 IonicContact OE1-NH2 2.8Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.03Å; E354-R357 IonicContact OE2-NE 3.09Å; E354-R357 PolarHBondContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH2 3.5Å; E354-R357 PolarHBondContact OE2-NH2 3.49Å; E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.13Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.31Å; E354-Q358 PolarHBondContact OE1-NE2 3.44Å |
| 355 | K | 92.6 | Very high | 90.2 | Very high | 145 Ų | 145 | 111.9 Ų | 111.9 | 63% | 0.63 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -33.5 | 176.8 | -172.3 | 168.2 | -176.1 | 169.6 | 0 | 112.3 | V351 L352 K359 | V351-K355 VanDerWaalsContact O-CB 3.32Å; V351-K355 WeakPolarHBondContact O-CB 2.71Å; V351-K355 PolarHBondContact O-N 2.9Å; L352-K355 PolarHBondContact O-N 2.81Å; K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 2.76Å |
| 356 | M | 88.2 | Confident | 90.2 | Very high | 119 Ų | 119 | 110.6 Ų | 110.6 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.2 | -31.1 | 171.7 | -70.5 | -69.9 | -76.1 | 0 | 0 | 112.3 | L352 E353 E354 R360 | L352-M356 WeakPolarHBondContact O-CB 3.42Å; L352-M356 VanDerWaalsContact O-CG 3.26Å; L352-M356 WeakPolarHBondContact O-CG 3.41Å; L352-M356 PolarHBondContact O-N 3.41Å; E353-M356 PolarHBondContact O-N 2.9Å; E354-M356 VanDerWaalsContact C-N 3.26Å; E354-M356 PolarHBondContact O-N 3.19Å; M356-R360 WeakPolarHBondContact O-CB 3.43Å; M356-R360 PolarHBondContact O-N 2.84Å |
| 357 | R | 93.8 | Very high | 90 | Very high | 130 Ų | 130 | 110.8 Ų | 110.8 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.5 | -47.1 | 170.7 | -168.2 | -171.8 | 71.8 | 89.5 | 4 | 111.2 | E353 E354 R360 L361 | E353-R357 PolarHBondContact O-N 2.8Å; E354-R357 CarbonylContact O-C 3.54Å; E354-R357 WeakPolarHBondContact O-CA 3.16Å; E354-R357 VanDerWaalsContact O-CB 3.29Å; E354-R357 WeakPolarHBondContact O-CB 3.05Å; E354-R357 PolarHBondContact O-N 2.86Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.97Å; E354-R357 PolarHBondContact OE1-NE 3.49Å; E354-R357 IonicContact OE1-NH2 2.8Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.03Å; E354-R357 IonicContact OE2-NE 3.09Å; E354-R357 PolarHBondContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH2 3.5Å; E354-R357 PolarHBondContact OE2-NH2 3.49Å; R357-R360 PolarHBondContact O-N 2.79Å; R357-L361 PolarHBondContact O-N 3.37Å |
| 358 | Q | 93 | Very high | 89.5 | Confident | 90 Ų | 90 | 112.7 Ų | 112.7 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.6 | -52.9 | 177.3 | -70.8 | 173 | 1.4 | 0 | 0 | 111.4 | E354 R360 L361 E362 | E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.13Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.31Å; E354-Q358 PolarHBondContact OE1-NE2 3.44Å; Q358-R360 PolarHBondContact O-N 3.42Å; Q358-L361 CarbonylContact O-C 3.58Å; Q358-L361 WeakPolarHBondContact O-CA 3.04Å; Q358-L361 WeakPolarHBondContact O-CB 3.36Å; Q358-L361 PolarHBondContact O-N 2.83Å; Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 3.2Å |
| 359 | K | 93.5 | Very high | 89 | Confident | 120 Ų | 120 | 113.3 Ų | 113.3 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.4 | -34.4 | 176.8 | -174.5 | 172.7 | -179.2 | 177.6 | 0 | 113.2 | K355 E362 Q363 | K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 2.76Å; K359-E362 WeakPolarHBondContact CA-OE2 3.31Å; K359-Q363 WeakPolarHBondContact O-CB 3.19Å; K359-Q363 VanDerWaalsContact O-CG 3.28Å; K359-Q363 WeakPolarHBondContact O-CG 3.19Å; K359-Q363 PolarHBondContact O-N 3.36Å |
| 360 | R | 91.8 | Very high | 88.2 | Confident | 142 Ų | 142 | 113.9 Ų | 113.9 | 54% | 0.536 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.7 | -39.1 | 174.4 | -168.3 | -178.6 | -63.9 | 128.9 | -0.1 | 111.5 | M356 R357 Q358 Q363 Y364 | M356-R360 WeakPolarHBondContact O-CB 3.43Å; M356-R360 PolarHBondContact O-N 2.84Å; R357-R360 PolarHBondContact O-N 2.79Å; Q358-R360 PolarHBondContact O-N 3.42Å; R360-Q363 PolarHBondContact O-N 2.89Å; R360-Y364 HydrophobicContact CG-CD2 4.21Å; R360-Y364 HydrophobicContact CG-CE2 4.03Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.35Å; R360-Y364 PolarHBondContact O-N 2.86Å |
| 361 | L | 92.5 | Very high | 86.7 | Confident | 99 Ų | 99 | 112.9 Ų | 112.9 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 175.4 | -176.2 | 61.7 | 0 | 0 | 0 | 111.5 | R357 Q358 Q363 Y364 E365 | R357-L361 PolarHBondContact O-N 3.37Å; Q358-L361 CarbonylContact O-C 3.58Å; Q358-L361 WeakPolarHBondContact O-CA 3.04Å; Q358-L361 WeakPolarHBondContact O-CB 3.36Å; Q358-L361 PolarHBondContact O-N 2.83Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 3.05Å; L361-Y364 CarbonylContact O-C 3.56Å; L361-Y364 WeakPolarHBondContact O-CA 3.11Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 3.07Å; L361-E365 PolarHBondContact O-N 2.9Å |
| 362 | E | 91.2 | Very high | 85 | Confident | 108 Ų | 108 | 110.8 Ų | 110.8 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -54 | -42.1 | 171.1 | -68.6 | 166.2 | 179.5 | 0 | 0 | 111.3 | Q358 K359 Y364 E365 M366 | Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 3.2Å; K359-E362 WeakPolarHBondContact CA-OE2 3.31Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 3.38Å; E362-E365 PolarHBondContact O-N 2.66Å; E362-M366 WeakPolarHBondContact O-CB 3.48Å; E362-M366 WeakPolarHBondContact O-CG 3.27Å; E362-M366 PolarHBondContact O-N 2.87Å |
| 363 | Q | 85.1 | Confident | 82.9 | Confident | 102 Ų | 102 | 112.1 Ų | 112.1 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.9 | -17.9 | 175 | -76.2 | 179.9 | -32.9 | 0 | 0 | 114.5 | K359 R360 L361 R367 | K359-Q363 WeakPolarHBondContact O-CB 3.19Å; K359-Q363 VanDerWaalsContact O-CG 3.28Å; K359-Q363 WeakPolarHBondContact O-CG 3.19Å; K359-Q363 PolarHBondContact O-N 3.36Å; R360-Q363 PolarHBondContact O-N 2.89Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 3.05Å; Q363-R367 PolarHBondContact O-NE 2.84Å; Q363-R367 PolarHBondContact O-NH2 2.88Å |
| 364 | Y | 86.3 | Confident | 80.1 | Confident | 130 Ų | 130 | 112.5 Ų | 112.5 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -85.9 | -39.1 | 167.7 | -85.6 | -76.6 | 0 | 0 | 0 | 111.1 | R360 L361 E362 R367 L368 | R360-Y364 HydrophobicContact CG-CD2 4.21Å; R360-Y364 HydrophobicContact CG-CE2 4.03Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.35Å; R360-Y364 PolarHBondContact O-N 2.86Å; L361-Y364 CarbonylContact O-C 3.56Å; L361-Y364 WeakPolarHBondContact O-CA 3.11Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 3.07Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 3.38Å; Y364-R367 VanDerWaalsContact CE1-NH2 3.35Å; Y364-R367 VanDerWaalsContact CG-NH2 3.3Å; Y364-R367 PolarHBondContact O-N 3.38Å; Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 PolarHBondContact O-N 3.28Å |
| 365 | E | 87 | Confident | 77.6 | Confident | 92 Ų | 92 | 116.6 Ų | 116.6 | 43% | 0.43 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 177.3 | -165.1 | -171 | 157.3 | 0 | 0 | 112.1 | L361 E362 L368 K369 | L361-E365 PolarHBondContact O-N 2.9Å; E362-E365 PolarHBondContact O-N 2.66Å; E365-L368 PolarHBondContact O-N 2.86Å; E365-K369 HydrophobicContact CG-CD 4.3Å; E365-K369 WeakPolarHBondContact O-CB 3.46Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.38Å; E365-K369 VanDerWaalsContact OE1-CE 3.29Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.87Å |
| 366 | M | 82 | Confident | 74.7 | Confident | 125 Ų | 125 | 119.2 Ų | 119.2 | 62% | 0.616 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.2 | -47.2 | 170.8 | -84 | 179.7 | 58.3 | 0 | 0 | 111.5 | E362 K369 E370 | E362-M366 WeakPolarHBondContact O-CB 3.48Å; E362-M366 WeakPolarHBondContact O-CG 3.27Å; E362-M366 PolarHBondContact O-N 2.87Å; M366-K369 PolarHBondContact O-N 2.71Å; M366-E370 VanDerWaalsContact O-CB 3.28Å; M366-E370 WeakPolarHBondContact O-CB 3.3Å; M366-E370 PolarHBondContact O-N 3.11Å |
| 367 | R | 84.2 | Confident | 72.1 | Confident | 101 Ų | 101 | 119.2 Ų | 119.2 | 38% | 0.381 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.9 | -41.1 | 177.8 | -82.5 | 177.3 | -70.7 | 147.1 | 5.4 | 112.3 | Q363 Y364 K369 E370 E371 | Q363-R367 PolarHBondContact O-NE 2.84Å; Q363-R367 PolarHBondContact O-NH2 2.88Å; Y364-R367 VanDerWaalsContact CE1-NH2 3.35Å; Y364-R367 VanDerWaalsContact CG-NH2 3.3Å; Y364-R367 PolarHBondContact O-N 3.38Å; R367-K369 VanDerWaalsContact C-N 3.26Å; R367-K369 PolarHBondContact O-N 2.75Å; R367-E370 PolarHBondContact O-N 3.12Å; R367-E371 VanDerWaalsContact O-CB 3.25Å; R367-E371 WeakPolarHBondContact O-CB 3.42Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.35Å; R367-E371 PolarHBondContact O-N 2.99Å |
| 368 | L | 79.7 | Confident | 69.4 | Low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.8 | -33.2 | 173.1 | -83.1 | 162.4 | 0 | 0 | 0 | 112.7 | Y364 E365 G372 | Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 PolarHBondContact O-N 3.28Å; E365-L368 PolarHBondContact O-N 2.86Å; L368-G372 VanDerWaalsContact O-CA 3.32Å; L368-G372 WeakPolarHBondContact O-CA 3.26Å; L368-G372 PolarHBondContact O-N 2.78Å |
| 369 | K | 79.9 | Confident | 66.9 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 54% | 0.543 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -74.6 | -42.7 | 173.3 | -75.4 | 168.7 | 173.4 | 173 | 0 | 112 | E365 M366 R367 G372 T373 | E365-K369 HydrophobicContact CG-CD 4.3Å; E365-K369 WeakPolarHBondContact O-CB 3.46Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.38Å; E365-K369 VanDerWaalsContact OE1-CE 3.29Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.87Å; M366-K369 PolarHBondContact O-N 2.71Å; R367-K369 VanDerWaalsContact C-N 3.26Å; R367-K369 PolarHBondContact O-N 2.75Å; K369-G372 CarbonylContact O-C 3.59Å; K369-G372 PolarHBondContact O-N 2.66Å; K369-T373 WeakPolarHBondContact O-CB 3.43Å; K369-T373 WeakPolarHBondContact O-CG2 3.38Å; K369-T373 PolarHBondContact O-N 2.93Å; K369-T373 PolarHBondContact O-OG1 3.44Å |
| 370 | E | 69.3 | Low | 64.3 | Low | 134 Ų | 134 | 124.2 Ų | 124.2 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.8 | -52.8 | 179.1 | -171.9 | 169.5 | -160.3 | 0 | 0 | 111.4 | M366 R367 G372 T373 | M366-E370 VanDerWaalsContact O-CB 3.28Å; M366-E370 WeakPolarHBondContact O-CB 3.3Å; M366-E370 PolarHBondContact O-N 3.11Å; R367-E370 PolarHBondContact O-N 3.12Å; E370-G372 VanDerWaalsContact C-N 3.32Å; E370-G372 PolarHBondContact O-N 3.48Å; E370-T373 PolarHBondContact O-N 3.45Å; E370-T373 PolarHBondContact O-OG1 3.01Å |
| 371 | E | 60.1 | Low | 61.8 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.4 | -38.6 | 172.3 | -65.5 | 169 | -164.8 | 0 | 0 | 111.1 | R367 C374 | R367-E371 VanDerWaalsContact O-CB 3.25Å; R367-E371 WeakPolarHBondContact O-CB 3.42Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.35Å; R367-E371 PolarHBondContact O-N 2.99Å; E371-C374 PolarHBondContact O-N 2.84Å |
| 372 | G | 58.8 | Low | 59.1 | Low | 51 Ų | 51 | 125.3 Ų | 125.3 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.1 | -28.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L368 K369 E370 C374 | L368-G372 VanDerWaalsContact O-CA 3.32Å; L368-G372 WeakPolarHBondContact O-CA 3.26Å; L368-G372 PolarHBondContact O-N 2.78Å; K369-G372 CarbonylContact O-C 3.59Å; K369-G372 PolarHBondContact O-N 2.66Å; E370-G372 VanDerWaalsContact C-N 3.32Å; E370-G372 PolarHBondContact O-N 3.48Å; G372-C374 PolarHBondContact O-N 3.46Å |
| 373 | T | 48 | Very low | 56.7 | Low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -72.4 | -12.2 | 176.8 | 40.7 | 0 | 0 | 0 | 0 | 114.1 | K369 E370 L375 | K369-T373 WeakPolarHBondContact O-CB 3.43Å; K369-T373 WeakPolarHBondContact O-CG2 3.38Å; K369-T373 PolarHBondContact O-N 2.93Å; K369-T373 PolarHBondContact O-OG1 3.44Å; E370-T373 PolarHBondContact O-N 3.45Å; E370-T373 PolarHBondContact O-OG1 3.01Å; T373-L375 VanDerWaalsContact C-N 3.29Å; T373-L375 PolarHBondContact O-N 2.93Å |
| 374 | C | 32.8 | Very low | 54.4 | Low | 110 Ų | 110 | 128.4 Ų | 128.4 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -82.4 | 11.8 | -174.2 | -160.7 | 0 | 0 | 0 | 0 | 115 | E371 G372 | E371-C374 PolarHBondContact O-N 2.84Å; G372-C374 PolarHBondContact O-N 3.46Å |
| 375 | L | 38.8 | Very low | 52.5 | Low | 151 Ų | 151 | 128.7 Ų | 128.7 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -143.3 | 27.1 | -166 | -105.4 | 177.3 | 0 | 0 | 0 | 118.3 | T373 | T373-L375 VanDerWaalsContact C-N 3.29Å; T373-L375 PolarHBondContact O-N 2.93Å |
| 376 | K | 32.9 | Very low | 50.5 | Low | 201 Ų | 201 | 129.6 Ų | 129.6 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | | | trans | -153.8 | 77.3 | 178.8 | -146 | 81.9 | 171.7 | -166.8 | 0 | 118 | | |
| 377 | S | 33.5 | Very low | 48.4 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | trans | -155.9 | 61.3 | 167.9 | 66.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 378 | T | 37.8 | Very low | 46.3 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | | | trans | -141 | 111.1 | 163.4 | 55.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 379 | N | 40 | Very low | 44.4 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | 61.1 | 118.3 | 145.9 | -151.5 | -2.2 | 0 | 0 | 0 | 120.5 | | |
| 380 | E | 37.5 | Very low | 42.8 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | -9.8 | 146.4 | 148.3 | -52.3 | 163.1 | -160.8 | 0 | 0 | 116.4 | | |
| 381 | N | 40.5 | Very low | 41.6 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | | -173.8 | 157.7 | 64.1 | -154.6 | -9.1 | 0 | 0 | 0 | 113.4 | | |
| 382 | T | 36.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 42.6 | 124.9 | 162.3 | 51.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 383 | G | 39.7 | Very low | 39.7 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 81% | 0.814 | 81% | 0.81 | S | S | * | * | | | trans | 165.2 | 80.4 | 157 | 0 | 0 | 0 | 0 | 0 | 116.9 | V385 | G383-V385 PolarHBondContact O-N 2.8Š|
| 384 | E | 36.6 | Very low | 39 | Very low | 196 Ų | 196 | 147.6 Ų | 147.6 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | | | trans | -69.1 | 121.6 | 168.4 | -58.6 | 170.1 | 163.1 | 0 | 0 | 111.3 | | |
| 385 | V | 46.5 | Very low | 39.2 | Very low | 136 Ų | 136 | 145 Ų | 145 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | | | trans | -165.9 | 125.2 | 138.4 | -102.7 | 0 | 0 | 0 | 0 | 113.3 | G383 | G383-V385 PolarHBondContact O-N 2.8Š|
| 386 | S | 45.9 | Very low | 39.2 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | 47.6 | 120.1 | 137.8 | -53.8 | 0 | 0 | 0 | 0 | 121.8 | | |
| 387 | N | 37.4 | Very low | 39.5 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -60.1 | 144.3 | 154.6 | -49.4 | -24.8 | 0 | 0 | 0 | 111.4 | | |
| 388 | S | 40 | Very low | 40 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | -154.3 | 116.4 | 146.1 | 56.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 389 | D | 38.8 | Very low | 40 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -58 | 133.8 | 161.2 | -43.5 | -92.2 | 0 | 0 | 0 | 108.6 | | |
| 390 | E | 47.6 | Very low | 40.3 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | -165.4 | 161 | 153.1 | -135.3 | 70.7 | -90.1 | 0 | 0 | 111.2 | | |
| 391 | E | 44.6 | Very low | 40.2 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -51.9 | 152.3 | -165.3 | -60 | 172.5 | 119.1 | 0 | 0 | 119.3 | | |
| 392 | W | 35.1 | Very low | 40.3 | Very low | 244 Ų | 244 | 139.6 Ų | 139.6 | 92% | 0.924 | 79% | 0.789 | S | S | * | * | | | trans | 6 | 123.1 | 143.8 | -55 | 88 | 0 | 0 | 0 | 118.6 | | |
| 393 | S | 42.4 | Very low | 40.4 | Very low | 131 Ų | 131 | 137.9 Ų | 137.9 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | | | trans | -155.2 | 140.9 | 152.4 | -81.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 394 | E | 34.7 | Very low | 40.2 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | | | trans | -115.8 | 153.7 | -176.9 | -179.1 | 169.3 | -147.5 | 0 | 0 | 110.7 | | |
| 395 | G | 35.7 | Very low | 40.4 | Very low | 57 Ų | 57 | 141.8 Ų | 141.8 | 59% | 0.588 | 79% | 0.785 | S | S | * | * | | | trans | 84.6 | 164 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 396 | V | 39.5 | Very low | 39.9 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | | | cis | -135 | 150.9 | 3.6 | -75.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 397 | A | 39.7 | Very low | 39.2 | Very low | 66 Ų | 66 | 142 Ų | 142 | 55% | 0.545 | 78% | 0.78 | S | S | . | * | | | trans | -71.3 | 148.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 398 | N | 43 | Very low | 38.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | -123.3 | 95.4 | 151.1 | -81.3 | -76 | 0 | 0 | 0 | 106.7 | | |
| 399 | D | 37.5 | Very low | 38.3 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | | | trans | -63.6 | 136.8 | 165.7 | -68.6 | -62.7 | 0 | 0 | 0 | 108.4 | | |
| 400 | S | 46.3 | Very low | 38.1 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | trans | -143.8 | 105.5 | 168.7 | -73.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 401 | E | 37 | Very low | 37.4 | Very low | 194 Ų | 194 | 134.4 Ų | 134.4 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | | | trans | -52.9 | 141.9 | 170.8 | -48.8 | 168.7 | 125.5 | 0 | 0 | 109.8 | | |
| 402 | I | 42.3 | Very low | 36.9 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | | -171.1 | 135.1 | 117.5 | -167.5 | 141.1 | 0 | 0 | 0 | 112.8 | | |
| 403 | S | 38 | Very low | 36.9 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | trans | 46.5 | 124.4 | 154.6 | 64.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 404 | D | 36.6 | Very low | 36.3 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | | | trans | -50.7 | 142.9 | 149.7 | -26.2 | -108.4 | 0 | 0 | 0 | 112.4 | | |
| 405 | E | 40.2 | Very low | 36.2 | Very low | 200 Ų | 200 | 124.5 Ų | 124.5 | 94% | 0.935 | 72% | 0.724 | S | S | * | * | | | trans | -158.2 | 146 | 138.9 | -121 | 171.1 | -153.8 | 0 | 0 | 111.5 | | |
| 406 | D | 35.1 | Very low | 36.2 | Very low | 154 Ų | 154 | 127 Ų | 127 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | -83.7 | 165.2 | -175.2 | -79.2 | -67.3 | 0 | 0 | 0 | 113.9 | | |
| 407 | S | 32.1 | Very low | 36.2 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | trans | 93.2 | 146 | 143.3 | 79.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 408 | N | 29.8 | Very low | 36.3 | Very low | 142 Ų | 142 | 131.9 Ų | 131.9 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | 73.2 | 135.7 | 174.8 | -42.5 | -63.7 | 0 | 0 | 0 | 114.4 | | |
| 409 | A | 29.2 | Very low | 35.9 | Very low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | | | cis | 72.2 | 141.5 | 32.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 410 | E | 32.8 | Very low | 36.1 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 63% | 0.631 | 73% | 0.732 | S | S | * | * | | | cis | -136.8 | -160.2 | 16.9 | -83.1 | -66.4 | -176.3 | 0 | 0 | 112.1 | K158 | K158-E410 IonicContact NZ-OE2 3.94Å; K158-E410 PolarHBondContact NZ-OE2 3.16Å |
| 411 | E | 34.6 | Very low | 35.8 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 40% | 0.397 | 74% | 0.736 | S | S | . | * | | | trans | -10.9 | 159.3 | 152.7 | -47.8 | -50.7 | 72.1 | 0 | 0 | 118.2 | K158 | K158-E411 WeakPolarHBondContact CD-OE1 3.42Å; K158-E411 WeakPolarHBondContact CD-OE2 3.3Å; K158-E411 WeakPolarHBondContact CE-OE1 3.22Å; K158-E411 IonicContact NZ-OE1 2.84Å; K158-E411 PolarHBondContact NZ-OE1 3.43Å |
| 412 | E | 34.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | cis | -145.7 | 177 | 39.9 | -46.7 | -79.8 | 161.2 | 0 | 0 | 109.8 | | |
| 413 | S | 33.9 | Very low | 36.1 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | | | cis | -163 | 178.4 | 20 | -164.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 414 | S | 30.8 | Very low | 36.2 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | trans | -54.1 | 168.1 | 161.9 | 53 | 0 | 0 | 0 | 0 | 113.7 | | |
| 415 | S | 32.3 | Very low | 36.3 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | cis | -159.7 | 143.9 | 36.3 | -167.2 | 0 | 0 | 0 | 0 | 108 | | |
| 416 | D | 35.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 131 Ų | 131 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | | | cis | 78.9 | 129.5 | 43.5 | -160.2 | 90.1 | 0 | 0 | 0 | 115.1 | K155 | K155-D416 IonicContact NZ-OD1 3.27Š|
| 417 | S | 38.3 | Very low | 36.5 | Very low | 97 Ų | 97 | 129.7 Ų | 129.7 | 68% | 0.678 | 72% | 0.715 | S | S | * | * | | | trans | 67.1 | 163.9 | 176 | -61.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 418 | E | 42.8 | Very low | 37.1 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | | | cis | -138.1 | 138.7 | 17.2 | -26.2 | -163.7 | 123.3 | 0 | 0 | 110 | | |
| 419 | S | 35.3 | Very low | 37.5 | Very low | 92 Ų | 92 | 131.6 Ų | 131.6 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | | | | 86 | 160.1 | 89.4 | 85.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 420 | E | 39.6 | Very low | 38.7 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | cis | -156.4 | -156.4 | 2 | -142.8 | 158.8 | -85.5 | 0 | 0 | 112 | | |
| 421 | E | 42 | Very low | 39.3 | Very low | 189 Ų | 189 | 135.9 Ų | 135.9 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | 69.4 | 167.3 | -178.2 | -62.5 | 179 | -170.9 | 0 | 0 | 115.5 | | |
| 422 | E | 43.8 | Very low | 40.1 | Very low | 180 Ų | 180 | 139 Ų | 139 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | | -162.1 | 157.6 | -58.1 | -113.8 | -166.3 | -159.9 | 0 | 0 | 105.8 | | |
| 423 | E | 40.8 | Very low | 40.9 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | cis | -164.2 | 161.7 | -14.1 | -141.2 | -64.9 | 86.9 | 0 | 0 | 107.3 | | |
| 424 | G | 39.4 | Very low | 41.6 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | | | trans | 147.1 | 98.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 425 | E | 39.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | | | trans | -85.1 | 166.7 | 172.6 | -56 | -173.5 | 141.9 | 0 | 0 | 113.9 | | |
| 426 | E | 43.2 | Very low | 43.3 | Very low | 165 Ų | 165 | 148.5 Ų | 148.5 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | | 167.2 | 115.3 | 118.8 | -90.2 | -164.2 | -140.4 | 0 | 0 | 113.7 | | |
| 427 | N | 36.3 | Very low | 44 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | | | trans | 64.7 | 155 | 138.3 | -52.6 | -38 | 0 | 0 | 0 | 120.1 | | |
| 428 | E | 44.9 | Very low | 44.2 | Very low | 183 Ų | 183 | 151.9 Ų | 151.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | cis | -148 | 167.3 | -0.5 | -140.4 | 165 | -124.8 | 0 | 0 | 110.9 | | |
| 429 | S | 37.7 | Very low | 44.1 | Very low | 95 Ų | 95 | 149.5 Ų | 149.5 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | trans | -111.5 | 153.5 | -170.3 | 57 | 0 | 0 | 0 | 0 | 114.8 | | |
| 430 | L | 54.3 | Low | 44.2 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -145.3 | 138.5 | 151 | -144.3 | 83.9 | 0 | 0 | 0 | 111.4 | | |
| 431 | D | 45 | Very low | 44.1 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -96.5 | 170 | 177.5 | -54.1 | -80.7 | 0 | 0 | 0 | 111.7 | | |
| 432 | D | 52.7 | Low | 43.7 | Very low | 152 Ų | 152 | 144.3 Ų | 144.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -173.5 | 117.8 | 130.2 | -94.9 | -13.2 | 0 | 0 | 0 | 112.1 | | |
| 433 | D | 49.5 | Very low | 43.2 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | 43 | 111.1 | 147.6 | -62.2 | -7.4 | 0 | 0 | 0 | 124.7 | | |
| 434 | E | 48.3 | Very low | 43 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | | 24.1 | 132 | 121.2 | -57.2 | -172.1 | -180 | 0 | 0 | 122.2 | | |
| 435 | E | 53 | Low | 42.7 | Very low | 200 Ų | 200 | 148.4 Ų | 148.4 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | | -159.7 | 133.8 | 113.6 | -114.5 | -178.8 | -160.2 | 0 | 0 | 112.6 | | |
| 436 | D | 46.2 | Very low | 42.3 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | -94 | 138.1 | 175.1 | -109.8 | -41.8 | 0 | 0 | 0 | 110.5 | | |
| 437 | D | 50.2 | Low | 41.6 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | | | trans | -167.2 | 89.2 | 132.5 | -118.4 | -19.9 | 0 | 0 | 0 | 115.8 | | |
| 438 | N | 42.7 | Very low | 41.7 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | | 68.7 | 153.8 | 107.3 | -149.3 | -5 | 0 | 0 | 0 | 123.4 | | |
| 439 | V | 40.5 | Very low | 41.2 | Very low | 122 Ų | 122 | 144.6 Ų | 144.6 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | trans | 67.6 | 82.9 | 166.4 | -158.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 440 | V | 37.2 | Very low | 41.1 | Very low | 134 Ų | 134 | 152 Ų | 152 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -60.4 | 144.2 | 148.4 | 169 | 0 | 0 | 0 | 0 | 112 | | |
| 441 | V | 37.7 | Very low | 40.5 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | 171.7 | 133.6 | 135.8 | 152 | 0 | 0 | 0 | 0 | 109.6 | | |
| 442 | G | 33.6 | Very low | 39.8 | Very low | 71 Ų | 71 | 148.1 Ų | 148.1 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | trans | 170.4 | 14.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 443 | S | 34.7 | Very low | 39.4 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -41.4 | 147.3 | -176.3 | -29.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 444 | K | 36.3 | Very low | 38.7 | Very low | 187 Ų | 187 | 150.8 Ų | 150.8 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | -173.8 | 131 | 121.7 | -102.3 | 165.2 | -175 | -173.9 | 0 | 116.7 | | |
| 445 | K | 32.7 | Very low | 38.3 | Very low | 193 Ų | 193 | 145.9 Ų | 145.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 73.2 | 136.3 | 142.8 | -70.4 | -166.2 | 174.2 | -162.9 | 0 | 122 | | |
| 446 | A | 31.4 | Very low | 38 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | | | trans | 94.1 | 101.8 | 137.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 447 | S | 29.3 | Very low | 38.2 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | | 51.4 | 103.5 | 119.2 | -163.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 448 | R | 37.7 | Very low | 37.9 | Very low | 215 Ų | 215 | 144.7 Ų | 144.7 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -158.9 | 127 | 132.9 | -104.7 | 145.1 | 173.4 | -156.8 | -7.3 | 108.6 | | |
| 449 | Q | 34.4 | Very low | 38.1 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | 46.8 | 101.6 | 96.5 | -61.3 | -177.7 | -69.8 | 0 | 0 | 113 | | |
| 450 | R | 35.9 | Very low | 38.4 | Very low | 251 Ų | 251 | 142.9 Ų | 142.9 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | | | trans | -116.6 | 98.5 | 141.6 | -85.7 | -167.4 | 159.3 | 172.3 | -4.6 | 107.5 | | |
| 451 | P | 41.5 | Very low | 38.7 | Very low | 92 Ų | 92 | 140.4 Ų | 140.4 | 60% | 0.597 | 75% | 0.752 | S | S | * | * | | | trans | -63.1 | 168.3 | 173.5 | -20.3 | 33.9 | 0 | 0 | 0 | 111.8 | | |
| 452 | C | 29.7 | Very low | 39 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | | | trans | -58.5 | 136.3 | 168.9 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 453 | L | 45.1 | Very low | 39.6 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | | | trans | -135.8 | 63 | 175.3 | -75 | 175.9 | 0 | 0 | 0 | 110.4 | | |
| 454 | F | 34.7 | Very low | 40 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 87% | 0.873 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -149.7 | 39.3 | 164.4 | -79.6 | -62.5 | 0 | 0 | 0 | 110.7 | | |
| 455 | A | 40.3 | Very low | 40.4 | Very low | 80 Ų | 80 | 137.2 Ų | 137.2 | 66% | 0.661 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -157.8 | 148.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 456 | D | 46.9 | Very low | 41.1 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | 44.3 | 87.2 | 169.9 | -59.9 | -7.8 | 0 | 0 | 0 | 118.3 | | |
| 457 | D | 50.4 | Low | 41.9 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 85% | 0.845 | 69% | 0.69 | S | S | * | * | | | | -166.9 | 130.5 | 123.1 | -120.6 | -28.1 | 0 | 0 | 0 | 111 | | |
| 458 | E | 42.4 | Very low | 42.5 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 77% | 0.771 | 67% | 0.674 | S | S | * | * | | | trans | 177.3 | 69.7 | 153.4 | -93.4 | -100.8 | 127 | 0 | 0 | 111.2 | H611 | E458-H611 PolarHBondContact O-CD2 2.79Š|
| 459 | A | 47.8 | Very low | 42.6 | Very low | 44 Ų | 44 | 127.2 Ų | 127.2 | 36% | 0.364 | 67% | 0.668 | S | S | . | * | | | trans | 57.6 | 146.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | T610 H611 | A459-T610 VanDerWaalsContact C-CG2 3.44Å; A459-T610 HydrophobicContact CB-CG2 3.73Å; A459-T610 VanDerWaalsContact O-CB 3.27Å; A459-T610 WeakPolarHBondContact O-CB 2.99Å; A459-T610 WeakPolarHBondContact O-CG2 3.08Å; A459-H611 WeakPolarHBondContact O-CB 3.4Å; A459-H611 PolarHBondContact O-CD2 2.74Å |
| 460 | E | 46.5 | Very low | 42.9 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 68% | 0.676 | S | S | * | * | | | cis | 76.6 | 70.8 | 24.3 | -66.6 | -76.3 | -165.4 | 0 | 0 | 118.1 | | |
| 461 | E | 43.6 | Very low | 43.2 | Very low | 83 Ų | 83 | 120.4 Ų | 120.4 | 39% | 0.388 | 66% | 0.66 | S | S | . | * | | | trans | -144.5 | 112.8 | 148 | -99.3 | 171.2 | -80.7 | 0 | 0 | 107.4 | S608 S609 T610 | E461-S608 WeakPolarHBondContact OE2-CB 3.35Å; E461-S608 PolarHBondContact OE2-OG 3.38Å; E461-S609 WeakPolarHBondContact OE1-CB 3.45Å; E461-S609 PolarHBondContact OE1-OG 2.87Å; E461-S609 WeakPolarHBondContact OE2-CB 3.44Å; E461-T610 HydrophobicContact CB-CG2 3.85Å; E461-T610 VanDerWaalsContact N-CG2 3.33Å; E461-T610 PolarHBondContact N-OG1 3.43Å; E461-T610 PolarHBondContact O-OG1 3.16Å; E461-T610 VanDerWaalsContact O-OG1 3.05Å |
| 462 | S | 43.3 | Very low | 43.1 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 44% | 0.441 | 67% | 0.671 | S | S | . | * | | | | 83.5 | 140.5 | 90.1 | 92.8 | 0 | 0 | 0 | 0 | 112.7 | S608 | S462-S608 VanDerWaalsContact OG-CB 3.25Å; S462-S608 WeakPolarHBondContact OG-CB 3.41Å |
| 463 | E | 47.3 | Very low | 43.5 | Very low | 151 Ų | 151 | 125 Ų | 125 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | | | cis | -171 | 160.5 | 2.3 | -137.1 | -177 | -146.8 | 0 | 0 | 109.6 | | |
| 464 | N | 43.5 | Very low | 43.4 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 63% | 0.626 | 66% | 0.662 | S | S | * | * | | | trans | 63.7 | 153.5 | 158 | -49.2 | -38.2 | 0 | 0 | 0 | 117.3 | | |
| 465 | D | 44.7 | Very low | 43.5 | Very low | 113 Ų | 113 | 121 Ų | 121 | 60% | 0.604 | 66% | 0.659 | S | S | * | * | | | cis | 179.3 | 131.2 | -25.3 | -100.9 | -13.1 | 0 | 0 | 0 | 103.1 | Q1060 | D465-Q1060 PolarHBondContact O-NE2 3.44Å; D465-Q1060 VanDerWaalsContact O-NE2 3.08Å |
| 466 | E | 46.8 | Very low | 43.3 | Very low | 152 Ų | 152 | 123.5 Ų | 123.5 | 71% | 0.71 | 66% | 0.661 | S | S | * | * | | | | 66.3 | 141.9 | 86 | -92.1 | -77.8 | -169.5 | 0 | 0 | 115.8 | Q1060 | E466-Q1060 VanDerWaalsContact O-CD 3.25Å; E466-Q1060 PolarHBondContact O-NE2 2.91Å |
| 467 | V | 47.9 | Very low | 43 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 38% | 0.382 | 66% | 0.657 | S | S | . | * | | | trans | 64.5 | 157.4 | 178.8 | -39.6 | 0 | 0 | 0 | 0 | 117.9 | Q1060 | V467-Q1060 HydrophobicContact CG2-CB 3.89Å; V467-Q1060 HydrophobicContact CG2-CG 3.86Å; V467-Q1060 WeakPolarHBondContact O-CG 3.47Å; V467-Q1060 PolarHBondContact O-NE2 2.99Å |
| 468 | F | 42.2 | Very low | 42.7 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 46% | 0.461 | 66% | 0.656 | S | S | . | * | | | cis | -126.4 | 159.4 | -13.5 | -78.1 | -77.8 | 0 | 0 | 0 | 107.9 | | |
| 469 | A | 40.2 | Very low | 42.4 | Very low | 82 Ų | 82 | 120.1 Ų | 120.1 | 68% | 0.678 | 65% | 0.647 | S | S | * | * | | | cis | 81.1 | 70.9 | 19.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 470 | E | 40 | Very low | 41.9 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | | | trans | -100.4 | 131.5 | 149.2 | -74.9 | -174 | 158.3 | 0 | 0 | 107 | | |
| 471 | A | 42.1 | Very low | 41.4 | Very low | 73 Ų | 73 | 123.2 Ų | 123.2 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | | | cis | 67 | 124.8 | 18.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 472 | D | 39.9 | Very low | 40.8 | Very low | 155 Ų | 155 | 124.6 Ų | 124.6 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | | | cis | -156.3 | 156.7 | -7.7 | -83.6 | -43.1 | 0 | 0 | 0 | 107.1 | | |
| 473 | D | 38.1 | Very low | 40.5 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 86% | 0.856 | 70% | 0.701 | S | S | * | * | | | | -169.5 | 146.4 | 126.2 | -123.2 | -10.4 | 0 | 0 | 0 | 111.9 | | |
| 474 | P | 43.3 | Very low | 40 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | | | trans | -115.1 | -164.8 | 177.1 | 33.2 | -14.1 | 0 | 0 | 0 | 112.7 | | |
| 475 | E | 35.8 | Very low | 39.7 | Very low | 174 Ų | 174 | 127.1 Ų | 127.1 | 81% | 0.813 | 69% | 0.694 | S | S | * | * | | | trans | 73.6 | 150.7 | 170.1 | -47.7 | -174.6 | 165.2 | 0 | 0 | 112.9 | | |
| 476 | D | 37.7 | Very low | 39.4 | Very low | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | | | cis | -153.5 | 157.4 | 14.8 | -145.8 | 1 | 0 | 0 | 0 | 113.9 | | |
| 477 | E | 39.5 | Very low | 39.2 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | | | trans | 56.8 | 160.9 | 152.1 | -79.5 | -68.4 | -174 | 0 | 0 | 124.9 | | |
| 478 | E | 43.3 | Very low | 38.7 | Very low | 177 Ų | 177 | 124.4 Ų | 124.4 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | | | trans | 64.9 | 138.8 | 166.8 | -62.3 | -151.7 | -135.7 | 0 | 0 | 119.1 | | |
| 479 | A | 37.4 | Very low | 38.6 | Very low | 71 Ų | 71 | 128.1 Ų | 128.1 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | | | cis | -163.6 | 147.7 | -11.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 480 | L | 37.9 | Very low | 38.7 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | 58.9 | 114.4 | 142.2 | -63.8 | 169.8 | 0 | 0 | 0 | 122.2 | | |
| 481 | T | 34.5 | Very low | 38.4 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | | | trans | 80.9 | 127.3 | 131.4 | 60.4 | 0 | 0 | 0 | 0 | 121.8 | | |
| 482 | C | 31.2 | Very low | 38.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 76% | 0.757 | 71% | 0.708 | S | S | * | * | | | trans | -90.6 | 162.6 | 165.9 | 38.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 483 | K | 37.5 | Very low | 38.3 | Very low | 180 Ų | 180 | 132.5 Ų | 132.5 | 78% | 0.783 | 71% | 0.709 | S | S | * | * | | | trans | -179.1 | 152.3 | 134.3 | -100.8 | 150.2 | -169.7 | 156.6 | 0 | 116.5 | | |
| 484 | D | 37 | Very low | 38 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | | | trans | 57.1 | 143.9 | 151.9 | -50.4 | -13.1 | 0 | 0 | 0 | 119.2 | | |
| 485 | C | 35.9 | Very low | 37.7 | Very low | 65 Ų | 65 | 130.9 Ų | 130.9 | 44% | 0.439 | 71% | 0.711 | S | S | . | * | | | cis | -153.5 | 153.6 | -10.8 | -101.6 | 0 | 0 | 0 | 0 | 106.5 | D1251 | C485-D1251 PolarHBondContact SG-OD2 3.23Š|
| 486 | A | 39.9 | Very low | 37.8 | Very low | 61 Ų | 61 | 131.6 Ų | 131.6 | 50% | 0.504 | 71% | 0.712 | S | S | . | * | | | | 63.6 | 145.2 | 68.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D1251 P1252 | A486-D1251 HydrophobicContact CB-CB 3.73Å; A486-P1252 HydrophobicContact CB-CB 3.84Å |
| 487 | D | 41.9 | Very low | 37.8 | Very low | 101 Ų | 101 | 130.8 Ų | 130.8 | 54% | 0.54 | 71% | 0.711 | S | S | . | * | | | cis | -166.6 | -175 | -8.5 | -147.6 | -31.8 | 0 | 0 | 0 | 112.2 | D1251 | D487-D1251 HydrophobicContact CB-CB 4.15Š|
| 488 | I | 38.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 56% | 0.564 | 72% | 0.716 | S | S | * | * | | | trans | 63.9 | 125.3 | 152.5 | -66.4 | 156 | 0 | 0 | 0 | 118.1 | | |
| 489 | K | 39.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 124.8 Ų | 124.8 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | | | cis | 92.7 | 153.4 | 34.9 | -72.5 | 179 | 177.7 | 165.1 | 0 | 115.9 | | |
| 490 | Q | 42.5 | Very low | 37.3 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | trans | 87.9 | 158.6 | 171.2 | -53.5 | -151.4 | 49.7 | 0 | 0 | 118.8 | | |
| 491 | N | 33.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 127.2 Ų | 127.2 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | | | cis | -174.9 | 159.7 | -46.4 | -97.1 | -25.3 | 0 | 0 | 0 | 110.2 | | |
| 492 | K | 41.6 | Very low | 37.6 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 81% | 0.809 | 72% | 0.716 | S | S | * | * | | | trans | 72.6 | 156.6 | 170.6 | -56.7 | 145.8 | -177.2 | 170.2 | 0 | 114.9 | | |
| 493 | S | 38.7 | Very low | 38.1 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | | | cis | -159.1 | 165.7 | -9.5 | 33.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 494 | C | 31.5 | Very low | 38 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -81.2 | 148.5 | -177.7 | 178.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 495 | S | 36.5 | Very low | 38 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | | | | 168.1 | 126.7 | 126.5 | -78.1 | 0 | 0 | 0 | 0 | 118 | | |
| 496 | K | 39 | Very low | 38 | Very low | 189 Ų | 189 | 127.5 Ų | 127.5 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | trans | 70.9 | 145.9 | 132.5 | -82 | -171.9 | 170.7 | -178.6 | 0 | 126.1 | | |
| 497 | T | 37.7 | Very low | 37.6 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 69% | 0.693 | 73% | 0.731 | S | S | * | * | | | trans | 90 | 87.9 | 138.1 | 39.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 498 | T | 31.8 | Very low | 37.2 | Very low | 137 Ų | 137 | 132 Ų | 132 | 84% | 0.84 | 74% | 0.739 | S | S | * | * | | | | 60.7 | 127.3 | 114.8 | 55.4 | 0 | 0 | 0 | 0 | 124.2 | | |
| 499 | G | 36.4 | Very low | 37.1 | Very low | 72 Ų | 72 | 135.6 Ų | 135.6 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | | | trans | 123 | 138.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 500 | V | 40.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | | | cis | -156 | 139.8 | -3.9 | -87.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 501 | N | 39.9 | Very low | 36.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | 62.9 | 145.5 | 141.9 | -57 | 5.1 | 0 | 0 | 0 | 124 | | |
| 502 | N | 40.3 | Very low | 36.3 | Very low | 135 Ų | 135 | 132.3 Ų | 132.3 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | 75.1 | 102.9 | 163.7 | -56.5 | -7.6 | 0 | 0 | 0 | 116.3 | | |
| 503 | L | 41.5 | Very low | 35.7 | Very low | 151 Ų | 151 | 135.2 Ų | 135.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | | | | 77.2 | 127.7 | 73.5 | -71 | 166 | 0 | 0 | 0 | 112.2 | | |
| 504 | N | 35.6 | Very low | 35.3 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | cis | -148.8 | 127.2 | 14.1 | -164.4 | 60.2 | 0 | 0 | 0 | 113.7 | | |
| 505 | V | 35.5 | Very low | 35.3 | Very low | 94 Ų | 94 | 136.7 Ų | 136.7 | 57% | 0.57 | 76% | 0.755 | S | S | * | * | | | trans | 33.5 | 113.2 | 134.6 | -175.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 506 | D | 36.7 | Very low | 35.1 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | | 68.8 | 155.4 | 65.9 | -54.2 | -54.8 | 0 | 0 | 0 | 113.5 | | |
| 507 | F | 30.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 134.8 Ų | 134.8 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | | | cis | -137.8 | 149.1 | 2.6 | -88.6 | -72.3 | 0 | 0 | 0 | 109 | | |
| 508 | G | 33.5 | Very low | 34.8 | Very low | 70 Ų | 70 | 138.1 Ų | 138.1 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | | 93.5 | 164.2 | 92 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 509 | K | 36.6 | Very low | 35.2 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | | | cis | 169.3 | 136.8 | -24.7 | -118.6 | -174.9 | 179.5 | -179.4 | 0 | 106.6 | | |
| 510 | N | 30.5 | Very low | 35.6 | Very low | 149 Ų | 149 | 146.4 Ų | 146.4 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 71.3 | 150.2 | -179.5 | -33.7 | -63.6 | 0 | 0 | 0 | 112.6 | | |
| 511 | I | 34.3 | Very low | 35.3 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | | | cis | -146.5 | 132.4 | 45.1 | -76.7 | 157.9 | 0 | 0 | 0 | 106.8 | | |
| 512 | A | 33.4 | Very low | 35.3 | Very low | 85 Ų | 85 | 147.5 Ų | 147.5 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | | 75.9 | 103.7 | 53.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 513 | R | 30 | Very low | 35.3 | Very low | 247 Ų | 247 | 148.6 Ų | 148.6 | 93% | 0.932 | 77% | 0.767 | S | S | * | * | | | trans | 4.2 | 138.7 | 160.7 | -48.3 | 176 | 175 | 176 | -4.5 | 117.2 | | |
| 514 | S | 29.5 | Very low | 35.1 | Very low | 89 Ų | 89 | 148.4 Ų | 148.4 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | | 173.8 | 150.6 | 57.5 | 57.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 515 | H | 31.3 | Very low | 35.4 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 83% | 0.833 | 77% | 0.768 | S | S | * | * | | | trans | 59.5 | 163.8 | 163.7 | -48.7 | -65.2 | 0 | 0 | 0 | 116.2 | | |
| 516 | T | 33.4 | Very low | 35.7 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | cis | -133.1 | 166.8 | 6.6 | 40.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 517 | P | 32.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 148.9 | 173.2 | 31.9 | -35.9 | 0 | 0 | 0 | 113.1 | | |
| 518 | Q | 36.4 | Very low | 35.9 | Very low | 184 Ų | 184 | 151.8 Ų | 151.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 136.7 | 171.1 | -67.9 | 175.2 | -74.6 | 0 | 0 | 111.2 | | |
| 519 | K | 40.7 | Very low | 36 | Very low | 207 Ų | 207 | 155.2 Ų | 155.2 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 131.3 | 155.9 | -81.1 | -172.3 | 173.5 | -174.3 | 0 | 109.1 | | |
| 520 | Q | 44.1 | Very low | 36 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -107.9 | 118.7 | 151.3 | -65.9 | 168 | -18.4 | 0 | 0 | 103.5 | | |
| 521 | H | 34.9 | Very low | 36.4 | Very low | 158 Ų | 158 | 151.8 Ų | 151.8 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | | | cis | 81.5 | 115.3 | 42.6 | -164.9 | -112.4 | 0 | 0 | 0 | 112.3 | | |
| 522 | L | 39.2 | Very low | 36.3 | Very low | 137 Ų | 137 | 151.9 Ų | 151.9 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | 67.6 | 150.6 | -174.9 | -56 | 171.4 | 0 | 0 | 0 | 114.6 | | |
| 523 | Q | 39.9 | Very low | 36.3 | Very low | 157 Ų | 157 | 155.7 Ų | 155.7 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | cis | -135.8 | 155.4 | 9.8 | -146.1 | 168.2 | -47.4 | 0 | 0 | 111.6 | | |
| 524 | L | 38.6 | Very low | 36.6 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -72.2 | 165.5 | 154.3 | -95 | 57.8 | 0 | 0 | 0 | 108.5 | | |
| 525 | D | 41.5 | Very low | 36.8 | Very low | 135 Ų | 135 | 151.5 Ų | 151.5 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | | 167.2 | 155.6 | 120.7 | -73.7 | -24.5 | 0 | 0 | 0 | 109.1 | | |
| 526 | D | 42.3 | Very low | 37.1 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -81.4 | -175 | -171.5 | -79.9 | -68.8 | 0 | 0 | 0 | 114.3 | | |
| 527 | F | 29.7 | Very low | 37 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | | | trans | 68 | 96.5 | 169.3 | -53.7 | -83.5 | 0 | 0 | 0 | 116.9 | | |
| 528 | T | 40.3 | Very low | 37.3 | Very low | 136 Ų | 136 | 153.8 Ų | 153.8 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -135 | 78.6 | 147.1 | 24.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 529 | D | 37.2 | Very low | 37.2 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -53.1 | 158.9 | 130.7 | -81 | -52.5 | 0 | 0 | 0 | 109.9 | P531 | D529-P531 WeakPolarHBondContact O-CD 3.45Š|
| 530 | L | 36.6 | Very low | 36.8 | Very low | 159 Ų | 159 | 151.3 Ų | 151.3 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -65.7 | 128.3 | -176.3 | -71.8 | 74.8 | 0 | 0 | 0 | 111.6 | | |
| 531 | P | 38.6 | Very low | 36.3 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | | -113.4 | 121.8 | 117.3 | 32.3 | -31.7 | 0 | 0 | 0 | 108.9 | D529 | D529-P531 WeakPolarHBondContact O-CD 3.45Š|
| 532 | Q | 31.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 145 Ų | 145 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | | 52.9 | 112.3 | 75.8 | -70.4 | -165.7 | -22.4 | 0 | 0 | 114.4 | | |
| 533 | E | 33.1 | Very low | 36 | Very low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 85.7 | 130.1 | 144.4 | -69.1 | -165.4 | -168.1 | 0 | 0 | 123.6 | | |
| 534 | T | 37.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | 79.1 | 90.6 | 145.6 | 57.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 535 | T | 34.5 | Very low | 35.6 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | | 34 | 108.2 | 118 | 57.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 536 | G | 36.1 | Very low | 35.4 | Very low | 79 Ų | 79 | 141.5 Ų | 141.5 | 81% | 0.814 | 78% | 0.784 | S | S | * | * | | | trans | -146.6 | 54.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K538 | G536-K538 PolarHBondContact O-N 3.44Š|
| 537 | F | 32.5 | Very low | 35 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | | | trans | -61.1 | 134.3 | 174.8 | -86.9 | -93.4 | 0 | 0 | 0 | 112.9 | | |
| 538 | K | 38.5 | Very low | 35.1 | Very low | 199 Ų | 199 | 142 Ų | 142 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -155 | 108 | 141.3 | -112.6 | 149.6 | -167.1 | 166.5 | 0 | 113.5 | G536 | G536-K538 PolarHBondContact O-N 3.44Š|
| 539 | L | 35.1 | Very low | 35 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 73% | 0.728 | 79% | 0.785 | S | S | * | * | | | trans | -81.6 | 143.5 | 166.5 | -158.8 | 80.9 | 0 | 0 | 0 | 109.2 | | |
| 540 | F | 31.9 | Very low | 34.9 | Very low | 199 Ų | 199 | 139.4 Ų | 139.4 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | | | trans | -137.4 | 148.7 | 153 | -98.4 | -77.1 | 0 | 0 | 0 | 109.4 | | |
| 541 | S | 33.4 | Very low | 34.9 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 57% | 0.566 | 78% | 0.778 | S | S | * | * | | | trans | -148.3 | 150.8 | -163.2 | -53.4 | 0 | 0 | 0 | 0 | 113 | | |
| 542 | S | 34 | Very low | 34.8 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | 59.9 | 127.7 | 150 | -56.7 | 0 | 0 | 0 | 0 | 120 | | |
| 543 | C | 34 | Very low | 35 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 90% | 0.899 | 76% | 0.759 | S | S | * | * | | | trans | -120.1 | 156.4 | 136.5 | 56.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 544 | N | 33.3 | Very low | 34.8 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | | | trans | -140.4 | 147.4 | -153.4 | -160.3 | 7.1 | 0 | 0 | 0 | 111.4 | | |
| 545 | N | 37.3 | Very low | 34.6 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | | | trans | 170.8 | 141.1 | 164.8 | -89.6 | -28.5 | 0 | 0 | 0 | 108.2 | | |
| 546 | G | 36.7 | Very low | 34.5 | Very low | 52 Ų | 52 | 136.5 Ų | 136.5 | 54% | 0.536 | 74% | 0.741 | S | S | . | * | | | cis | 173.9 | 173.6 | -4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 547 | Y | 34.4 | Very low | 34.6 | Very low | 245 Ų | 245 | 141.7 Ų | 141.7 | 96% | 0.961 | 74% | 0.744 | S | S | * | * | | | trans | 72.4 | 162.5 | -179.5 | -45 | -72.4 | 0 | 0 | 0 | 117.2 | | |
| 548 | S | 32.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 135.3 Ų | 135.3 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | | -161 | 168.4 | -92.8 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 549 | L | 38 | Very low | 34.9 | Very low | 155 Ų | 155 | 132.1 Ų | 132.1 | 81% | 0.812 | 73% | 0.732 | S | S | * | * | | | trans | 70.9 | 143.8 | 176.6 | -47 | 168 | 0 | 0 | 0 | 114.9 | | |
| 550 | G | 33.8 | Very low | 35.1 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | | | cis | -171.9 | 133.7 | -8.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 551 | L | 36.8 | Very low | 35.5 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | | | trans | -70.8 | 165.7 | 172.2 | -103.2 | 97.6 | 0 | 0 | 0 | 111.3 | | |
| 552 | P | 36.4 | Very low | 36.4 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 53% | 0.526 | 75% | 0.748 | S | S | . | * | | | | -161.8 | 160.9 | 56.1 | 44.6 | -21.7 | 0 | 0 | 0 | 122.9 | I271 | I271-P552 HydrophobicContact CD1-CG 4.45Š|
| 553 | Q | 34.9 | Very low | 36.7 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 51% | 0.509 | 73% | 0.732 | S | S | . | * | | | trans | 69.2 | 119.7 | 132.3 | -74.8 | 165.7 | -122.3 | 0 | 0 | 124.9 | | |
| 554 | R | 30.8 | Very low | 37.2 | Very low | 186 Ų | 186 | 126 Ų | 126 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | | | | 78.6 | 148.3 | 125.7 | -69.4 | 169.4 | -174.4 | -119.4 | 9 | 118.9 | | |
| 555 | H | 32.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 126.5 Ų | 126.5 | 56% | 0.56 | 72% | 0.717 | S | S | * | * | | | cis | -149.2 | 137.1 | 1.3 | -101 | -56.9 | 0 | 0 | 0 | 112.4 | | |
| 556 | H | 33.1 | Very low | 38.5 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 65% | 0.653 | 71% | 0.712 | S | S | * | * | | | trans | 49.9 | 138.3 | 146.8 | -55.6 | -57.8 | 0 | 0 | 0 | 125.9 | | |
| 557 | H | 36.8 | Very low | 39.1 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | | | trans | 67 | 130.2 | 159.7 | -45.6 | -61 | 0 | 0 | 0 | 118.1 | | |
| 558 | G | 37 | Very low | 39.1 | Very low | 67 Ų | 67 | 129.8 Ų | 129.8 | 69% | 0.691 | 73% | 0.728 | S | S | * | * | | | cis | 175.9 | 159.9 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 559 | T | 42 | Very low | 39.4 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 73% | 0.73 | S | S | * | * | | | trans | 52.1 | 94.2 | 157.1 | -41.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 560 | L | 38.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 126.9 Ų | 126.9 | 90% | 0.901 | 73% | 0.726 | S | S | * | * | | | | 74.6 | 130.7 | 79.7 | -70.2 | 168.5 | 0 | 0 | 0 | 115.7 | | |
| 561 | G | 41.1 | Very low | 39.6 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | trans | -155.6 | 147 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 562 | P | 52.3 | Low | 39.4 | Very low | 136 Ų | 136 | 129.2 Ų | 129.2 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | | | trans | -92.5 | 151.7 | -156.5 | 35.1 | -36.8 | 0 | 0 | 0 | 115.4 | | |
| 563 | A | 39.1 | Very low | 39.4 | Very low | 60 Ų | 60 | 130.5 Ų | 130.5 | 50% | 0.496 | 74% | 0.738 | S | S | . | * | | | trans | -152.2 | 147.3 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 564 | D | 45.8 | Very low | 39.5 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 56% | 0.561 | 75% | 0.748 | S | S | * | * | | | trans | 66.7 | 108.9 | 174.7 | -40.6 | -32.1 | 0 | 0 | 0 | 114.7 | R1173 | D564-R1173 IonicContact OD1-NH1 2.8Å; D564-R1173 IonicContact OD2-NH1 2.74Å |
| 565 | I | 47.6 | Very low | 39.9 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 83% | 0.826 | 74% | 0.735 | S | S | * | * | | | trans | -170.9 | 117.1 | 148.3 | -96.7 | 150.5 | 0 | 0 | 0 | 110.1 | | |
| 566 | D | 49.9 | Very low | 40.3 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | 43.3 | 89.1 | 147.2 | -48.2 | -21.2 | 0 | 0 | 0 | 121.5 | F568 | D566-F568 PolarHBondContact O-N 3.13Š|
| 567 | L | 47.9 | Very low | 40.6 | Very low | 171 Ų | 171 | 123.9 Ų | 123.9 | 90% | 0.895 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -72.1 | 91.9 | 145.9 | -71.7 | 108.3 | 0 | 0 | 0 | 109.8 | | |
| 568 | F | 34.5 | Very low | 40.9 | Very low | 215 Ų | 215 | 123.8 Ų | 123.8 | 94% | 0.943 | 73% | 0.727 | S | S | * | * | | | trans | -172.4 | 55.7 | 152.1 | -92.2 | -52.8 | 0 | 0 | 0 | 112.8 | D566 | D566-F568 PolarHBondContact O-N 3.13Š|
| 569 | A | 39.5 | Very low | 41.1 | Very low | 88 Ų | 88 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | trans | -150.1 | 100.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 570 | S | 35.1 | Very low | 41.4 | Very low | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | | | | 33.1 | 157.1 | 122.5 | -48.8 | 0 | 0 | 0 | 0 | 122.5 | | |
| 571 | E | 40.5 | Very low | 41.6 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | trans | 83.2 | 136.5 | 165.6 | -62.4 | 155.5 | -128.6 | 0 | 0 | 114.8 | R342 | R342-E571 IonicContact CZ-OE1 3.24Å; R342-E571 IonicContact NE-OE1 3.18Å; R342-E571 IonicContact NH2-OE1 2.73Å; R342-E571 PolarHBondContact NH2-OE1 3.36Å; R342-E571 IonicContact NH2-OE2 2.66Å |
| 572 | C | 33.2 | Very low | 41.6 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | | | trans | -99 | -179.7 | -162.7 | -60.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 573 | S | 35.8 | Very low | 41.1 | Very low | 108 Ų | 108 | 126 Ų | 126 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | | | trans | 93.9 | 114.3 | 150.3 | -55.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 574 | S | 37.7 | Very low | 41.6 | Very low | 105 Ų | 105 | 127.7 Ų | 127.7 | 73% | 0.734 | 71% | 0.706 | S | S | * | * | | | trans | 86.1 | 151.1 | 135.1 | 79.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 575 | I | 37.7 | Very low | 41.4 | Very low | 83 Ų | 83 | 129 Ų | 129 | 43% | 0.426 | 71% | 0.712 | S | S | . | * | | | trans | 65.9 | 94.8 | 160.1 | -69.4 | 162.7 | 0 | 0 | 0 | 115 | R300 | R300-I575 VanDerWaalsContact NH1-CG2 3.28Š|
| 576 | L | 42.4 | Very low | 41.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | | | | 91 | 124.4 | 63.8 | -80.7 | 169.3 | 0 | 0 | 0 | 114.5 | | |
| 577 | D | 39.3 | Very low | 40.8 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 69% | 0.694 | S | S | * | * | | | trans | 58.6 | 121.3 | 154.2 | -58.2 | -30.2 | 0 | 0 | 0 | 120.9 | | |
| 578 | R | 43.2 | Very low | 40.1 | Very low | 187 Ų | 187 | 121.6 Ų | 121.6 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | | | | -175.5 | 93.9 | 98.5 | -95.6 | 169.9 | 177.2 | 177.2 | -1.1 | 113.2 | E1039 | R578-E1039 IonicContact CZ-OE1 3.9Å; R578-E1039 IonicContact NH1-OE1 2.92Å; R578-E1039 PolarHBondContact NH1-OE1 3.25Å; R578-E1039 IonicContact NH2-OE1 3.27Å; R578-E1039 PolarHBondContact NH2-OE1 3.15Å |
| 579 | T | 41.1 | Very low | 40.2 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 90% | 0.896 | 68% | 0.675 | S | S | * | * | | | trans | -154 | 75 | 153.3 | 16.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 580 | M | 47 | Very low | 40.1 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | | | trans | -71.3 | 129.1 | 177.1 | -70.9 | -84 | 104.6 | 0 | 0 | 111.6 | P582 | M580-P582 WeakPolarHBondContact O-CD 3.46Š|
| 581 | N | 43.8 | Very low | 40.2 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 57% | 0.572 | 68% | 0.68 | S | S | * | * | | | trans | -104.6 | 93.9 | 147.7 | -176.8 | -11.2 | 0 | 0 | 0 | 108.6 | Q583 S584 | N581-Q583 PolarHBondContact O-N 2.99Å; N581-Q583 VanDerWaalsContact O-N 3.16Å; N581-Q583 PolarHBondContact OD1-N 2.86Å; N581-Q583 VanDerWaalsContact OD1-N 3.11Å; N581-S584 PolarHBondContact O-OG 2.83Å |
| 582 | P | 40.1 | Very low | 40 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 53% | 0.532 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -2.3 | -174.7 | 31 | -35.7 | 0 | 0 | 0 | 113.9 | M580 | M580-P582 WeakPolarHBondContact O-CD 3.46Š|
| 583 | Q | 41.8 | Very low | 39.9 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 68% | 0.682 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -26.7 | -179.1 | -63.4 | -168.5 | -3.3 | 0 | 0 | 113.3 | N581 I585 L586 A587 | N581-Q583 PolarHBondContact O-N 2.99Å; N581-Q583 VanDerWaalsContact O-N 3.16Å; N581-Q583 PolarHBondContact OD1-N 2.86Å; N581-Q583 VanDerWaalsContact OD1-N 3.11Å; Q583-I585 PolarHBondContact O-N 3.3Å; Q583-L586 PolarHBondContact O-N 2.93Å; Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.38Å; Q583-A587 VanDerWaalsContact O-N 3.09Å |
| 584 | S | 49.7 | Very low | 39.8 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -24.3 | 175.6 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | N581 | N581-S584 PolarHBondContact O-OG 2.83Š|
| 585 | I | 41.3 | Very low | 39.6 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 69% | 0.687 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -16.9 | -176 | -63.7 | 176.3 | 0 | 0 | 0 | 112.7 | Q583 | Q583-I585 PolarHBondContact O-N 3.3Š|
| 586 | L | 43.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 61% | 0.613 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | -17.3 | -177.2 | -68.2 | 175.5 | 0 | 0 | 0 | 115.1 | Q583 S588 T589 | Q583-L586 PolarHBondContact O-N 2.93Å; L586-S588 PolarHBondContact O-N 2.87Å; L586-S588 VanDerWaalsContact O-N 3.08Å; L586-T589 PolarHBondContact O-N 3.35Å; L586-T589 VanDerWaalsContact O-N 3.12Å; L586-T589 PolarHBondContact O-OG1 2.78Å |
| 587 | A | 42.6 | Very low | 39.3 | Very low | 77 Ų | 77 | 116.6 Ų | 116.6 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 28.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q583 | Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.38Å; Q583-A587 VanDerWaalsContact O-N 3.09Å |
| 588 | S | 32.6 | Very low | 39.6 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 90% | 0.902 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142 | 25.5 | 154.6 | -80.9 | 0 | 0 | 0 | 0 | 112.8 | L586 | L586-S588 PolarHBondContact O-N 2.87Å; L586-S588 VanDerWaalsContact O-N 3.08Å |
| 589 | T | 37 | Very low | 39.2 | Very low | 88 Ų | 88 | 115 Ų | 115 | 54% | 0.54 | 66% | 0.655 | S | S | . | * | | | trans | -89.5 | 147.9 | 156.8 | 67.6 | 0 | 0 | 0 | 0 | 109.8 | L586 | L586-T589 PolarHBondContact O-N 3.35Å; L586-T589 VanDerWaalsContact O-N 3.12Å; L586-T589 PolarHBondContact O-OG1 2.78Å |
| 590 | R | 37.6 | Very low | 39 | Very low | 212 Ų | 212 | 112 Ų | 112 | 80% | 0.8 | 63% | 0.634 | S | S | * | * | S | Bend | trans | 71 | 110.2 | 170.1 | -52.4 | 175.4 | 67 | 141.8 | 2 | 117.2 | | |
| 591 | L | 36.8 | Very low | 38.6 | Very low | 143 Ų | 143 | 110.9 Ų | 110.9 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | | | trans | 60.1 | 111.2 | 133.8 | -63 | 162.6 | 0 | 0 | 0 | 118.1 | | |
| 592 | D | 36.3 | Very low | 38.2 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 67% | 0.668 | 62% | 0.621 | S | S | * | * | | | | -151.3 | 124.7 | 99.5 | -113.5 | -15.7 | 0 | 0 | 0 | 110.6 | K601 | D592-K601 WeakPolarHBondContact O-CE 3.39Å; D592-K601 PolarHBondContact O-NZ 3.33Å |
| 593 | A | 32.2 | Very low | 38 | Very low | 57 Ų | 57 | 114.5 Ų | 114.5 | 47% | 0.471 | 63% | 0.631 | S | S | . | * | | | trans | -71 | 137 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | N600 | A593-N600 WeakPolarHBondContact CA-OD1 3.28Š|
| 594 | T | 32.6 | Very low | 37.7 | Very low | 82 Ų | 82 | 115.9 Ų | 115.9 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | | | trans | -165.8 | 84.1 | 162.6 | 3.9 | 0 | 0 | 0 | 0 | 110.9 | I596 N600 K601 | T594-I596 PolarHBondContact O-N 3.01Å; T594-N600 PolarHBondContact N-OD1 2.74Å; T594-K601 VanDerWaalsContact OG1-CE 3.25Å; T594-K601 WeakPolarHBondContact OG1-CE 2.94Å |
| 595 | T | 33.8 | Very low | 37.1 | Very low | 93 Ų | 93 | 117.1 Ų | 117.1 | 57% | 0.571 | 64% | 0.639 | S | S | * | * | | | | 39 | 71.9 | 125.3 | -31.2 | 0 | 0 | 0 | 0 | 117.9 | E599 | T595-E599 VanDerWaalsContact CA-OE1 3.31Å; T595-E599 WeakPolarHBondContact CA-OE1 3.48Å; T595-E599 WeakPolarHBondContact CB-OE1 3.33Å; T595-E599 WeakPolarHBondContact CG2-OE1 3.37Å; T595-E599 VanDerWaalsContact N-CD 3.31Å; T595-E599 PolarHBondContact N-OE1 2.9Å; T595-E599 PolarHBondContact N-OE2 3.33Å; T595-E599 PolarHBondContact OG1-OE1 3.1Å |
| 596 | I | 32.9 | Very low | 37 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | S | Bend | | -89.4 | 135.8 | 115.8 | -68.1 | 176.6 | 0 | 0 | 0 | 104.4 | T594 D598 E599 | T594-I596 PolarHBondContact O-N 3.01Å; I596-D598 CarbonylContact O-C 2.92Å; I596-D598 VanDerWaalsContact O-CA 3.32Å; I596-D598 WeakPolarHBondContact O-CA 3.45Å; I596-D598 PolarHBondContact O-N 2.92Å; I596-D598 VanDerWaalsContact O-O 3.05Å; I596-E599 WeakPolarHBondContact O-CA 3.23Å; I596-E599 PolarHBondContact O-N 3.24Å |
| 597 | G | 41.3 | Very low | 36.7 | Very low | 63 Ų | 63 | 122.1 Ų | 122.1 | 65% | 0.649 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -72.3 | 114.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 598 | D | 44.4 | Very low | 36.4 | Very low | 164 Ų | 164 | 120.7 Ų | 120.7 | 88% | 0.877 | 64% | 0.636 | S | S | * | * | S | Bend | cis | -101.1 | 151.8 | 1.6 | -63.7 | -51 | 0 | 0 | 0 | 113.3 | I596 | I596-D598 CarbonylContact O-C 2.92Å; I596-D598 VanDerWaalsContact O-CA 3.32Å; I596-D598 WeakPolarHBondContact O-CA 3.45Å; I596-D598 PolarHBondContact O-N 2.92Å; I596-D598 VanDerWaalsContact O-O 3.05Å |
| 599 | E | 36.1 | Very low | 36.5 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 44% | 0.444 | 62% | 0.62 | S | S | . | * | | | trans | -84.5 | 117.8 | -139.5 | -45.2 | -158.4 | 146.1 | 0 | 0 | 117 | T595 I596 | T595-E599 VanDerWaalsContact CA-OE1 3.31Å; T595-E599 WeakPolarHBondContact CA-OE1 3.48Å; T595-E599 WeakPolarHBondContact CB-OE1 3.33Å; T595-E599 WeakPolarHBondContact CG2-OE1 3.37Å; T595-E599 VanDerWaalsContact N-CD 3.31Å; T595-E599 PolarHBondContact N-OE1 2.9Å; T595-E599 PolarHBondContact N-OE2 3.33Å; T595-E599 PolarHBondContact OG1-OE1 3.1Å; I596-E599 WeakPolarHBondContact O-CA 3.23Å; I596-E599 PolarHBondContact O-N 3.24Å |
| 600 | N | 36.7 | Very low | 36.4 | Very low | 83 Ų | 83 | 117.1 Ų | 117.1 | 44% | 0.444 | 61% | 0.612 | S | S | . | * | | | | 169.1 | 160 | 108.2 | -84.6 | -52.5 | 0 | 0 | 0 | 116.2 | A593 T594 | A593-N600 WeakPolarHBondContact CA-OD1 3.28Å; T594-N600 PolarHBondContact N-OD1 2.74Å |
| 601 | K | 37.8 | Very low | 36.3 | Very low | 118 Ų | 118 | 113 Ų | 113 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | | | trans | -22 | 129.9 | 169.6 | -62 | 155.3 | -179.5 | 169.1 | 0 | 115 | D592 T594 | D592-K601 WeakPolarHBondContact O-CE 3.39Å; D592-K601 PolarHBondContact O-NZ 3.33Å; T594-K601 VanDerWaalsContact OG1-CE 3.25Å; T594-K601 WeakPolarHBondContact OG1-CE 2.94Å |
| 602 | S | 36.1 | Very low | 36.3 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 49% | 0.49 | 60% | 0.595 | S | S | . | * | | | cis | 72.7 | 106.1 | 28.2 | 137.7 | 0 | 0 | 0 | 0 | 117.6 | | |
| 603 | R | 35.8 | Very low | 36.6 | Very low | 196 Ų | 196 | 112.8 Ų | 112.8 | 74% | 0.74 | 60% | 0.603 | S | S | * | * | | | trans | 83.4 | 147.8 | 145 | -59.9 | 178.9 | -174.2 | 97.1 | -6 | 121.6 | | |
| 604 | F | 35.8 | Very low | 36.6 | Very low | 175 Ų | 175 | 121 Ų | 121 | 77% | 0.768 | 62% | 0.621 | S | S | * | * | | | trans | 89.6 | 90.2 | 163.2 | -52.8 | -65.9 | 0 | 0 | 0 | 114.9 | | |
| 605 | T | 36.1 | Very low | 36.7 | Very low | 122 Ų | 122 | 124.2 Ų | 124.2 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | | | | 60.5 | 119.2 | 69.2 | 72.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 606 | R | 39.8 | Very low | 36.9 | Very low | 219 Ų | 219 | 126.8 Ų | 126.8 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | | | | 160.5 | 123.9 | 114.2 | -173.3 | 158.5 | -167.6 | -179.8 | -0.4 | 112 | | |
| 607 | N | 36 | Very low | 37.2 | Very low | 136 Ų | 136 | 128 Ų | 128 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | | | trans | 27 | 142.6 | 132.8 | -54.5 | 56.9 | 0 | 0 | 0 | 119.7 | | |
| 608 | S | 35.8 | Very low | 37.2 | Very low | 47 Ų | 47 | 130 Ų | 130 | 33% | 0.329 | 66% | 0.661 | S | S | . | * | | | cis | -167.5 | 108.4 | -2.1 | -86.9 | 0 | 0 | 0 | 0 | 112.4 | E461 S462 | E461-S608 WeakPolarHBondContact OE2-CB 3.35Å; E461-S608 PolarHBondContact OE2-OG 3.38Å; S462-S608 VanDerWaalsContact OG-CB 3.25Å; S462-S608 WeakPolarHBondContact OG-CB 3.41Å |
| 609 | S | 35.2 | Very low | 36.4 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 56% | 0.559 | 66% | 0.66 | S | S | * | * | | | | 63.6 | 159 | 112.8 | -152.6 | 0 | 0 | 0 | 0 | 126 | E461 | E461-S609 WeakPolarHBondContact OE1-CB 3.45Å; E461-S609 PolarHBondContact OE1-OG 2.87Å; E461-S609 WeakPolarHBondContact OE2-CB 3.44Å |
| 610 | T | 35.8 | Very low | 36.7 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 38% | 0.38 | 68% | 0.677 | S | S | . | * | | | trans | 96.7 | 143 | 157.6 | 62.6 | 0 | 0 | 0 | 0 | 126.9 | A459 E461 | A459-T610 VanDerWaalsContact C-CG2 3.44Å; A459-T610 HydrophobicContact CB-CG2 3.73Å; A459-T610 VanDerWaalsContact O-CB 3.27Å; A459-T610 WeakPolarHBondContact O-CB 2.99Å; A459-T610 WeakPolarHBondContact O-CG2 3.08Å; E461-T610 HydrophobicContact CB-CG2 3.85Å; E461-T610 VanDerWaalsContact N-CG2 3.33Å; E461-T610 PolarHBondContact N-OG1 3.43Å; E461-T610 PolarHBondContact O-OG1 3.16Å; E461-T610 VanDerWaalsContact O-OG1 3.05Å |
| 611 | H | 35.2 | Very low | 37 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | | | trans | 42.6 | 106 | 164.9 | -128.1 | -52.2 | 0 | 0 | 0 | 120.9 | E458 A459 | E458-H611 PolarHBondContact O-CD2 2.79Å; A459-H611 WeakPolarHBondContact O-CB 3.4Å; A459-H611 PolarHBondContact O-CD2 2.74Å |
| 612 | S | 37.5 | Very low | 37.1 | Very low | 85 Ų | 85 | 142.2 Ų | 142.2 | 59% | 0.594 | 71% | 0.712 | S | S | * | * | | | | 179.7 | 146.9 | 117.7 | -164 | 0 | 0 | 0 | 0 | 114 | | |
| 613 | Q | 42.3 | Very low | 37.2 | Very low | 178 Ų | 178 | 149 Ų | 149 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | trans | 60.5 | 105.3 | 155.3 | -77.2 | 159 | -78.2 | 0 | 0 | 120.1 | N615 | Q613-N615 PolarHBondContact O-N 2.87Š|
| 614 | W | 31.1 | Very low | 37.2 | Very low | 229 Ų | 229 | 144.3 Ų | 144.3 | 87% | 0.867 | 73% | 0.726 | S | S | * | * | | | trans | -55.1 | 131.1 | 152.4 | -70.4 | 11.6 | 0 | 0 | 0 | 112.2 | | |
| 615 | N | 36.4 | Very low | 37.2 | Very low | 150 Ų | 150 | 145.2 Ų | 145.2 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | -164.4 | 161.3 | 137 | -99.7 | -40.4 | 0 | 0 | 0 | 108.4 | Q613 | Q613-N615 PolarHBondContact O-N 2.87Š|
| 616 | N | 37.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | | | trans | 74.5 | 75.2 | 173.1 | -46.1 | -33.7 | 0 | 0 | 0 | 117.3 | P618 | N616-P618 WeakPolarHBondContact O-CD 3.46Š|
| 617 | T | 39.1 | Very low | 37.2 | Very low | 144 Ų | 144 | 143 Ų | 143 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | | | trans | -107.6 | 79.8 | 141.8 | 27.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 618 | P | 41.9 | Very low | 37.2 | Very low | 105 Ų | 105 | 143.5 Ų | 143.5 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | trans | -72.5 | 172.7 | 159.2 | 34.9 | -35.1 | 0 | 0 | 0 | 110.8 | N616 | N616-P618 WeakPolarHBondContact O-CD 3.46Š|
| 619 | Y | 27.8 | Very low | 37.3 | Very low | 222 Ų | 222 | 145.8 Ų | 145.8 | 87% | 0.871 | 75% | 0.75 | S | S | * | * | | | trans | -75.3 | -166.9 | -179 | -71 | -107.4 | 0 | 0 | 0 | 112.3 | | |
| 620 | E | 41.8 | Very low | 37.5 | Very low | 168 Ų | 168 | 149.6 Ų | 149.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 85.6 | 53.7 | -179.8 | -49.6 | -59.1 | 163.3 | 0 | 0 | 117.1 | | |
| 621 | L | 42.3 | Very low | 37.4 | Very low | 180 Ų | 180 | 153.5 Ų | 153.5 | 94% | 0.942 | 78% | 0.777 | S | S | * | * | | | trans | -125.3 | 69.5 | 146.5 | -80.7 | -178.2 | 0 | 0 | 0 | 111 | | |
| 622 | L | 40 | Very low | 37.3 | Very low | 145 Ų | 145 | 155.1 Ų | 155.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | trans | -118.9 | 157.3 | 160.2 | -80.2 | 167.7 | 0 | 0 | 0 | 109.2 | | |
| 623 | Y | 38.6 | Very low | 37.2 | Very low | 214 Ų | 214 | 156.1 Ų | 156.1 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | | | trans | 70.8 | 83.7 | 176.8 | -67 | -81.1 | 0 | 0 | 0 | 119.2 | | |
| 624 | S | 35.8 | Very low | 36.9 | Very low | 97 Ų | 97 | 152.9 Ų | 152.9 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | | 63.9 | 123.8 | 111.9 | -168 | 0 | 0 | 0 | 0 | 121.2 | | |
| 625 | Q | 36 | Very low | 37.1 | Very low | 194 Ų | 194 | 152.5 Ų | 152.5 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | | -161.7 | 146.6 | 113.2 | -107.5 | 173.6 | 19.1 | 0 | 0 | 114.3 | | |
| 626 | K | 37.9 | Very low | 37.3 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | | | trans | -82.2 | 166.1 | -179 | -59 | 179.1 | 174.3 | -179.9 | 0 | 111.6 | | |
| 627 | P | 38.5 | Very low | 37.3 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | | | | -149.1 | 159.1 | 91.1 | 38.3 | -21 | 0 | 0 | 0 | 117.3 | | |
| 628 | N | 35.3 | Very low | 37.4 | Very low | 148 Ų | 148 | 147.5 Ų | 147.5 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -72.6 | 156.2 | 177.9 | -78.6 | -29.2 | 0 | 0 | 0 | 115 | | |
| 629 | S | 38.4 | Very low | 37.4 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | | | | 155.7 | 154.4 | 97.9 | 65 | 0 | 0 | 0 | 0 | 117.7 | | |
| 630 | Q | 38.4 | Very low | 37.9 | Very low | 160 Ų | 160 | 144.4 Ų | 144.4 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | 86.1 | 103 | 147.7 | -74.5 | 164.9 | 98.9 | 0 | 0 | 123.9 | | |
| 631 | L | 34.5 | Very low | 37.6 | Very low | 144 Ų | 144 | 142.7 Ų | 142.7 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | | | | 78.2 | 103.5 | 120.1 | -65.3 | 172.6 | 0 | 0 | 0 | 123.4 | | |
| 632 | L | 33.4 | Very low | 37.5 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | | 21.3 | 126.5 | 120.9 | -78.2 | 163.9 | 0 | 0 | 0 | 121.1 | | |
| 633 | A | 35 | Very low | 37.3 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 87% | 0.868 | 74% | 0.743 | S | S | * | * | | | trans | -155.9 | 125.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 634 | S | 36.2 | Very low | 37.4 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -87.3 | 169.5 | -176.3 | -10.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 635 | R | 35.8 | Very low | 37.5 | Very low | 222 Ų | 222 | 139.6 Ų | 139.6 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | trans | -179.3 | 129.4 | 138.9 | -108.5 | 176 | 88.7 | 164.8 | 12 | 118.4 | | |
| 636 | S | 38.9 | Very low | 37.7 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | | | trans | 47.2 | 151.4 | 131.8 | 56.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 637 | E | 38.8 | Very low | 37.7 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | | | cis | -173.3 | 163.4 | 3.5 | -107.3 | 167.2 | -91.6 | 0 | 0 | 106.5 | | |
| 638 | S | 39.4 | Very low | 37.7 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | | | cis | -170.4 | 141.6 | -1.4 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 639 | I | 43.7 | Very low | 37.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | | | | 69.6 | 165.7 | 129.1 | -142.7 | 165.2 | 0 | 0 | 0 | 123.1 | | |
| 640 | T | 36.5 | Very low | 37.7 | Very low | 120 Ų | 120 | 141.3 Ų | 141.3 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | | | trans | 93 | 141.2 | 178.5 | 71.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 641 | Q | 37.1 | Very low | 37.4 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 62% | 0.617 | 73% | 0.727 | S | S | * | * | | | cis | -173.3 | 160.2 | -26.7 | -89.5 | -31.8 | 64.4 | 0 | 0 | 105.5 | | |
| 642 | E | 39.1 | Very low | 37.5 | Very low | 126 Ų | 126 | 138 Ų | 138 | 59% | 0.589 | 73% | 0.73 | S | S | * | * | | | cis | -164.5 | 139.1 | -1.3 | -116.4 | 172.1 | -138.9 | 0 | 0 | 111.1 | | |
| 643 | F | 36.9 | Very low | 37.3 | Very low | 169 Ų | 169 | 138 Ų | 138 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | | | trans | 65.1 | 157.8 | 149.9 | -62.8 | -47.9 | 0 | 0 | 0 | 121.2 | | |
| 644 | I | 40.1 | Very low | 37.7 | Very low | 143 Ų | 143 | 138 Ų | 138 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | | | cis | -147.9 | 162.7 | 3.1 | -131.4 | 157 | 0 | 0 | 0 | 111.8 | | |
| 645 | D | 37.7 | Very low | 37.7 | Very low | 133 Ų | 133 | 141.3 Ų | 141.3 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | trans | -68.7 | 156.9 | 179.4 | -36.3 | -107.4 | 0 | 0 | 0 | 114.8 | | |
| 646 | D | 39.5 | Very low | 37.6 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | | | | -166.8 | 128.8 | 117.1 | -120.4 | -30.6 | 0 | 0 | 0 | 115.7 | | |
| 647 | N | 39.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -4.3 | 150 | 153.1 | -62.7 | -91.1 | 0 | 0 | 0 | 120.7 | | |
| 648 | R | 37.7 | Very low | 37.7 | Very low | 214 Ų | 214 | 136.2 Ų | 136.2 | 81% | 0.808 | 73% | 0.725 | S | S | * | * | | | | 156 | 99.7 | 92 | -163.4 | 156.3 | -161.6 | -114.8 | 0.6 | 119.1 | | |
| 649 | I | 37.5 | Very low | 38.2 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 61% | 0.61 | 73% | 0.729 | S | S | * | * | | | | 67.6 | 138.1 | 128.4 | -66 | 178.7 | 0 | 0 | 0 | 122.5 | | |
| 650 | M | 36.9 | Very low | 38.1 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | trans | 65.6 | 123.2 | 164.1 | -70.1 | -5.9 | 168.1 | 0 | 0 | 117.6 | | |
| 651 | T | 31.1 | Very low | 38.3 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | | | | 65.3 | 99.4 | 55.6 | 74.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 652 | S | 36.6 | Very low | 38.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 175.3 | 124.7 | 135.6 | 57.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 653 | N | 30.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 87% | 0.872 | 74% | 0.736 | S | S | * | * | | | trans | 38.7 | 154.2 | 139.9 | -96.2 | 23.7 | 0 | 0 | 0 | 124.6 | | |
| 654 | P | 43.6 | Very low | 38.5 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | | | trans | -93.8 | 168 | -173.6 | 39.4 | -37.9 | 0 | 0 | 0 | 114.8 | | |
| 655 | H | 34.1 | Very low | 38.4 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 83% | 0.833 | 74% | 0.739 | S | S | * | * | | | trans | -171.8 | 125.9 | 137.8 | -108.3 | -61 | 0 | 0 | 0 | 115.3 | | |
| 656 | N | 34.1 | Very low | 38.6 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | | 53 | 109.6 | 127.5 | -177.7 | 24.2 | 0 | 0 | 0 | 121.8 | | |
| 657 | V | 40.6 | Very low | 38.5 | Very low | 141 Ų | 141 | 134.1 Ų | 134.1 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | | | trans | -163.7 | 147.2 | 133.5 | -96.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 658 | S | 40.7 | Very low | 38.4 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -165.5 | 134.6 | -7 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 659 | S | 48.5 | Very low | 38.4 | Very low | 96 Ų | 96 | 130.5 Ų | 130.5 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | | | trans | 68.6 | 148.7 | 152.4 | -59 | 0 | 0 | 0 | 0 | 120.2 | | |
| 660 | Q | 41.7 | Very low | 38.1 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | | | cis | -174.6 | 155.3 | -14.9 | -108 | -166.3 | -76.2 | 0 | 0 | 107.8 | | |
| 661 | D | 40.2 | Very low | 37.8 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | | | cis | -166.2 | 138.8 | -12 | -142.7 | -20.1 | 0 | 0 | 0 | 110.7 | | |
| 662 | T | 40.3 | Very low | 38.1 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | trans | 65.5 | 155.4 | 163.7 | 74.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 663 | V | 39.7 | Very low | 37.7 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | cis | -144.1 | 131.7 | 19 | 177.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 664 | L | 37.5 | Very low | 37.9 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | trans | 17.1 | 152.8 | 140.8 | -40.3 | 172 | 0 | 0 | 0 | 121.4 | | |
| 665 | L | 39.4 | Very low | 37.6 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | | | cis | -172 | 132.9 | 30.2 | -166.7 | 68.2 | 0 | 0 | 0 | 115.6 | | |
| 666 | S | 41.9 | Very low | 37.7 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 60% | 0.601 | 73% | 0.731 | S | S | * | * | | | trans | 63.2 | 158.9 | 153.8 | -64.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 667 | Q | 36.9 | Very low | 37.8 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | | | cis | -162.7 | 134.6 | -14.2 | -102.4 | 158.8 | 42.1 | 0 | 0 | 106.5 | | |
| 668 | E | 36.8 | Very low | 37.8 | Very low | 173 Ų | 173 | 128.5 Ų | 128.5 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | | | | 58.3 | 151.3 | 79.5 | -89.8 | -151.5 | 105.1 | 0 | 0 | 117.2 | | |
| 669 | P | 39.1 | Very low | 37.6 | Very low | 98 Ų | 98 | 131 Ų | 131 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | cis | -145.4 | 156.3 | -34 | 38.9 | -19.9 | 0 | 0 | 0 | 117.9 | | |
| 670 | T | 30.2 | Very low | 36.9 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | 5.8 | 158.6 | 138.2 | -23.2 | 0 | 0 | 0 | 0 | 124.5 | | |
| 671 | Q | 31 | Very low | 36.7 | Very low | 173 Ų | 173 | 132.9 Ų | 132.9 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | 97.6 | 158.8 | 150 | -67.7 | -156.9 | 2.9 | 0 | 0 | 121.3 | | |
| 672 | P | 37.3 | Very low | 36.2 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 68% | 0.675 | 75% | 0.745 | S | S | * | * | | | cis | -145.6 | 176.2 | -41.4 | 42.5 | -25.1 | 0 | 0 | 0 | 117.3 | | |
| 673 | T | 28.2 | Very low | 36 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | | | trans | -17.6 | 166.3 | 163.6 | 56.9 | 0 | 0 | 0 | 0 | 125.1 | | |
| 674 | S | 34.9 | Very low | 36.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 90.4 | 147.9 | 161.1 | 80.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 675 | Q | 36.3 | Very low | 36.1 | Very low | 166 Ų | 166 | 138 Ų | 138 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | cis | -158.1 | 136.9 | 11 | -148.9 | -178.1 | 8.7 | 0 | 0 | 114 | | |
| 676 | L | 35.6 | Very low | 35.8 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | trans | 60.6 | 117 | 145.9 | -80.4 | 171.4 | 0 | 0 | 0 | 124.6 | | |
| 677 | D | 36.1 | Very low | 35.9 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | | | | 80.5 | 155.9 | 122.2 | -104 | 12.7 | 0 | 0 | 0 | 122.8 | | |
| 678 | P | 42.3 | Very low | 36.2 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | | -134 | 175.3 | -106.4 | 39.1 | -20.5 | 0 | 0 | 0 | 115.6 | | |
| 679 | T | 36.3 | Very low | 36.8 | Very low | 143 Ų | 143 | 130 Ų | 130 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | | | trans | -151.1 | 132.2 | 160.1 | -69.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 680 | I | 34.3 | Very low | 37.2 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | | | trans | -97.3 | 130.3 | -167.4 | -61.8 | 165.5 | 0 | 0 | 0 | 111.3 | I682 | I680-I682 HydrophobicContact CG2-CD1 3.82Å; I680-I682 HydrophobicContact CG2-CG1 3.51Å |
| 681 | I | 36.6 | Very low | 38.1 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -137.8 | 136.1 | 149 | -59.8 | -176.1 | 0 | 0 | 0 | 106.3 | | |
| 682 | I | 29.5 | Very low | 39.3 | Very low | 144 Ų | 144 | 126 Ų | 126 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | | | trans | -119.9 | 131.1 | -169.4 | -51.5 | 171.4 | 0 | 0 | 0 | 109.6 | I680 | I680-I682 HydrophobicContact CG2-CD1 3.82Å; I680-I682 HydrophobicContact CG2-CG1 3.51Å |
| 683 | S | 37 | Very low | 40.2 | Very low | 99 Ų | 99 | 127 Ų | 127 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | trans | -165.1 | 138.3 | 169.9 | -48.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 684 | E | 42 | Very low | 42.1 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 78% | 0.776 | 69% | 0.686 | S | S | * | * | | | cis | -165.3 | 88.1 | -12.2 | -129.2 | 168.6 | -154.5 | 0 | 0 | 108 | T686 | E684-T686 PolarHBondContact O-N 3.45Š|
| 685 | E | 36.3 | Very low | 43.5 | Very low | 199 Ų | 199 | 124.1 Ų | 124.1 | 93% | 0.93 | 68% | 0.676 | S | S | * | * | | | trans | -99.6 | 75.4 | -171.8 | -69.3 | -177.3 | 169 | 0 | 0 | 112.8 | | |
| 686 | T | 34.1 | Very low | 44.7 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 53% | 0.534 | 67% | 0.668 | S | S | . | * | | | trans | -143.2 | 69.5 | 179.3 | 59.1 | 0 | 0 | 0 | 0 | 113.6 | E684 | E684-T686 PolarHBondContact O-N 3.45Š|
| 687 | N | 42.8 | Very low | 46.3 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -125.1 | -18.2 | 178.9 | -78 | -61.9 | 0 | 0 | 0 | 116.4 | | |
| 688 | S | 44 | Very low | 47.8 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -83.9 | -54.9 | 174.4 | 50.9 | 0 | 0 | 0 | 0 | 112.5 | L690 Q691 | S688-L690 VanDerWaalsContact C-N 3.32Å; S688-L690 PolarHBondContact O-N 2.89Å; S688-Q691 PolarHBondContact O-N 2.97Å; S688-Q691 VanDerWaalsContact O-N 3.13Å |
| 689 | S | 49.8 | Very low | 48.4 | Very low | 72 Ų | 72 | 121.1 Ų | 121.1 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -58.7 | -37.8 | -175.2 | -173.9 | 0 | 0 | 0 | 0 | 113.5 | Q691 S692 Q693 | S689-Q691 VanDerWaalsContact C-N 3.33Å; S689-Q691 PolarHBondContact O-N 2.88Å; S689-S692 PolarHBondContact O-N 2.98Å; S689-Q693 PolarHBondContact O-N 3.24Å |
| 690 | L | 46.1 | Very low | 49.6 | Very low | 94 Ų | 94 | 122.9 Ų | 122.9 | 49% | 0.492 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.5 | -33.6 | 178.7 | -77.9 | 176.1 | 0 | 0 | 0 | 113.1 | S688 V694 | S688-L690 VanDerWaalsContact C-N 3.32Å; S688-L690 PolarHBondContact O-N 2.89Å; L690-V694 WeakPolarHBondContact O-CB 3.47Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.23Å; L690-V694 PolarHBondContact O-N 3.07Å |
| 691 | Q | 49.5 | Very low | 50.6 | Low | 140 Ų | 140 | 121.9 Ų | 121.9 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.3 | -38.1 | 178.9 | -162.9 | 170.8 | 15.2 | 0 | 0 | 111.3 | S688 S689 L695 | S688-Q691 PolarHBondContact O-N 2.97Å; S688-Q691 VanDerWaalsContact O-N 3.13Å; S689-Q691 VanDerWaalsContact C-N 3.33Å; S689-Q691 PolarHBondContact O-N 2.88Å; Q691-L695 WeakPolarHBondContact O-CB 3.41Å; Q691-L695 WeakPolarHBondContact O-CG 3.41Å; Q691-L695 PolarHBondContact O-N 3.35Å |
| 692 | S | 56.8 | Low | 51.5 | Low | 81 Ų | 81 | 120.5 Ų | 120.5 | 57% | 0.566 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -47.7 | 171.8 | -173 | 0 | 0 | 0 | 0 | 111.7 | S689 V694 L695 H696 | S689-S692 PolarHBondContact O-N 2.98Å; S692-V694 PolarHBondContact O-N 3.02Å; S692-L695 PolarHBondContact O-N 3.05Å; S692-H696 WeakPolarHBondContact O-CB 3.11Å; S692-H696 PolarHBondContact O-N 3.5Å |
| 693 | Q | 55.1 | Low | 52.4 | Low | 124 Ų | 124 | 122.6 Ų | 122.6 | 58% | 0.579 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -62.8 | -39.5 | 176.1 | -75.6 | -163.1 | 17.5 | 0 | 0 | 113 | S689 H696 K697 | S689-Q693 PolarHBondContact O-N 3.24Å; Q693-H696 PolarHBondContact O-N 3.14Å; Q693-K697 WeakPolarHBondContact O-CB 3.31Å; Q693-K697 PolarHBondContact O-N 2.83Å |
| 694 | V | 68.7 | Low | 52.6 | Low | 74 Ų | 74 | 121 Ų | 121 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -66.6 | -42.2 | 176.6 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | L690 S692 K697 N698 | L690-V694 WeakPolarHBondContact O-CB 3.47Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.23Å; L690-V694 PolarHBondContact O-N 3.07Å; S692-V694 PolarHBondContact O-N 3.02Å; V694-K697 PolarHBondContact O-N 2.93Å; V694-N698 VanDerWaalsContact O-CB 3.28Å; V694-N698 WeakPolarHBondContact O-CB 3.47Å; V694-N698 PolarHBondContact O-N 2.94Å; V694-N698 PolarHBondContact O-ND2 3.43Å; V694-N698 PolarHBondContact O-OD1 3.43Å |
| 695 | L | 65.1 | Low | 52.3 | Low | 107 Ų | 107 | 122.3 Ų | 122.3 | 56% | 0.56 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -62.5 | -46.6 | 174.3 | -75.4 | 170.5 | 0 | 0 | 0 | 111.9 | Q691 S692 K697 N698 H699 | Q691-L695 WeakPolarHBondContact O-CB 3.41Å; Q691-L695 WeakPolarHBondContact O-CG 3.41Å; Q691-L695 PolarHBondContact O-N 3.35Å; S692-L695 PolarHBondContact O-N 3.05Å; L695-K697 VanDerWaalsContact C-N 3.34Å; L695-K697 PolarHBondContact O-N 3.28Å; L695-N698 PolarHBondContact O-N 3.36Å; L695-H699 WeakPolarHBondContact O-CB 3.46Å; L695-H699 PolarHBondContact O-N 3.4Å |
| 696 | H | 60.5 | Low | 52.3 | Low | 132 Ų | 132 | 117.7 Ų | 117.7 | 61% | 0.611 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.4 | -36.5 | 178 | -164.3 | -23.8 | 0 | 0 | 0 | 112 | S692 Q693 R700 | S692-H696 WeakPolarHBondContact O-CB 3.11Å; S692-H696 PolarHBondContact O-N 3.5Å; Q693-H696 PolarHBondContact O-N 3.14Å; H696-R700 WeakPolarHBondContact O-CB 3.39Å; H696-R700 PolarHBondContact O-N 3.14Å |
| 697 | K | 70.1 | Confident | 52.3 | Low | 135 Ų | 135 | 119.7 Ų | 119.7 | 59% | 0.587 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.1 | -38.7 | 177.8 | -169.8 | 172.4 | -175.3 | 176.6 | 0 | 112.1 | Q693 V694 L695 R700 Q701 | Q693-K697 WeakPolarHBondContact O-CB 3.31Å; Q693-K697 PolarHBondContact O-N 2.83Å; V694-K697 PolarHBondContact O-N 2.93Å; L695-K697 VanDerWaalsContact C-N 3.34Å; L695-K697 PolarHBondContact O-N 3.28Å; K697-R700 PolarHBondContact O-N 2.89Å; K697-Q701 WeakPolarHBondContact O-CB 3.38Å; K697-Q701 WeakPolarHBondContact O-CG 3.39Å; K697-Q701 PolarHBondContact O-N 2.89Å |
| 698 | N | 67.7 | Low | 51.9 | Low | 75 Ų | 75 | 118.8 Ų | 118.8 | 40% | 0.401 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.8 | -45.1 | 171.5 | -68.7 | -8 | 0 | 0 | 0 | 110.8 | V694 L695 R700 Q701 L702 | V694-N698 VanDerWaalsContact O-CB 3.28Å; V694-N698 WeakPolarHBondContact O-CB 3.47Å; V694-N698 PolarHBondContact O-N 2.94Å; V694-N698 PolarHBondContact O-ND2 3.43Å; V694-N698 PolarHBondContact O-OD1 3.43Å; L695-N698 PolarHBondContact O-N 3.36Å; N698-R700 VanDerWaalsContact C-N 3.25Å; N698-R700 PolarHBondContact O-N 3.18Å; N698-Q701 PolarHBondContact O-N 2.89Å; N698-L702 WeakPolarHBondContact O-CB 3.3Å; N698-L702 WeakPolarHBondContact O-CG 3.42Å; N698-L702 PolarHBondContact O-N 3.49Å |
| 699 | H | 55.2 | Low | 51.6 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -59.1 | -34.8 | 171.6 | -100.1 | -130.7 | 0 | 0 | 0 | 112.6 | L695 F703 | L695-H699 WeakPolarHBondContact O-CB 3.46Å; L695-H699 PolarHBondContact O-N 3.4Å; H699-F703 WeakPolarHBondContact O-CD2 3.48Å |
| 700 | R | 60 | Low | 50.7 | Low | 179 Ų | 179 | 125.9 Ų | 125.9 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -71.9 | -46.9 | 176.3 | -141.9 | 168.8 | -170.5 | -95.7 | 4.4 | 111.4 | H696 K697 N698 L702 F703 S704 | H696-R700 WeakPolarHBondContact O-CB 3.39Å; H696-R700 PolarHBondContact O-N 3.14Å; K697-R700 PolarHBondContact O-N 2.89Å; N698-R700 VanDerWaalsContact C-N 3.25Å; N698-R700 PolarHBondContact O-N 3.18Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 2.97Å; R700-F703 CarbonylContact O-C 3.57Å; R700-F703 PolarHBondContact O-N 2.9Å; R700-S704 WeakPolarHBondContact O-CB 3.31Å; R700-S704 PolarHBondContact O-N 3.21Å; R700-S704 PolarHBondContact O-OG 2.84Å |
| 701 | Q | 56.7 | Low | 50.3 | Low | 113 Ų | 113 | 126.8 Ų | 126.8 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -62 | -37.8 | 179.7 | -74.3 | 179.3 | -58.9 | 0 | 0 | 112.8 | K697 N698 F703 S704 | K697-Q701 WeakPolarHBondContact O-CB 3.38Å; K697-Q701 WeakPolarHBondContact O-CG 3.39Å; K697-Q701 PolarHBondContact O-N 2.89Å; N698-Q701 PolarHBondContact O-N 2.89Å; Q701-F703 PolarHBondContact O-N 2.74Å; Q701-S704 PolarHBondContact O-N 3.42Å |
| 702 | L | 54.5 | Low | 49.7 | Very low | 135 Ų | 135 | 123.9 Ų | 123.9 | 71% | 0.707 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -12.1 | 173.6 | -73.4 | 169.5 | 0 | 0 | 0 | 114.5 | N698 R700 | N698-L702 WeakPolarHBondContact O-CB 3.3Å; N698-L702 WeakPolarHBondContact O-CG 3.42Å; N698-L702 PolarHBondContact O-N 3.49Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 2.97Å |
| 703 | F | 48.4 | Very low | 48.6 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 83% | 0.829 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 10.2 | 177 | -72.2 | -83.3 | 0 | 0 | 0 | 113.7 | H699 R700 Q701 | H699-F703 WeakPolarHBondContact O-CD2 3.48Å; R700-F703 CarbonylContact O-C 3.57Å; R700-F703 PolarHBondContact O-N 2.9Å; Q701-F703 PolarHBondContact O-N 2.74Å |
| 704 | S | 40.4 | Very low | 47.5 | Very low | 65 Ų | 65 | 131 Ų | 131 | 46% | 0.455 | 69% | 0.693 | S | S | . | * | | | trans | -144.5 | 63.3 | -176.4 | 76.9 | 0 | 0 | 0 | 0 | 113.8 | R700 Q701 | R700-S704 WeakPolarHBondContact O-CB 3.31Å; R700-S704 PolarHBondContact O-N 3.21Å; R700-S704 PolarHBondContact O-OG 2.84Å; Q701-S704 PolarHBondContact O-N 3.42Å |
| 705 | E | 36.2 | Very low | 45.9 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | | | trans | -133.7 | 88 | 164.6 | -161 | 150.9 | -120.8 | 0 | 0 | 110.3 | | |
| 706 | S | 37 | Very low | 44.5 | Very low | 102 Ų | 102 | 131.3 Ų | 131.3 | 71% | 0.713 | 71% | 0.714 | S | S | * | * | | | trans | -142.2 | 127.1 | 176.6 | 44 | 0 | 0 | 0 | 0 | 111.1 | | |
| 707 | V | 32.9 | Very low | 43.3 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 78% | 0.782 | 72% | 0.719 | S | S | * | * | | | trans | 43.9 | 103.2 | 155.9 | -165.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 708 | S | 36.1 | Very low | 41.5 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | | | trans | -147 | 125.9 | 158 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 709 | D | 37.1 | Very low | 39.9 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | | | trans | -66.4 | 155.7 | -152.2 | -61.3 | -89.3 | 0 | 0 | 0 | 119.4 | S711 | D709-S711 PolarHBondContact O-N 3.07Š|
| 710 | Q | 30.8 | Very low | 39.1 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 97% | 0.972 | 75% | 0.748 | S | S | * | * | | | trans | -74.1 | 85.4 | 167.2 | -63.7 | -176 | 10.4 | 0 | 0 | 111.8 | | |
| 711 | S | 36.8 | Very low | 38 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -145.8 | 123.3 | 160.5 | 74.5 | 0 | 0 | 0 | 0 | 112.1 | D709 | D709-S711 PolarHBondContact O-N 3.07Š|
| 712 | G | 38.8 | Very low | 36.7 | Very low | 80 Ų | 80 | 134.4 Ų | 134.4 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | trans | 166.8 | 31.4 | -172 | 0 | 0 | 0 | 0 | 0 | 118.3 | F714 | G712-F714 PolarHBondContact O-N 2.96Š|
| 713 | L | 32.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 133.6 Ų | 133.6 | 89% | 0.885 | 77% | 0.765 | S | S | * | * | | | trans | -61.7 | 124.8 | 166.3 | -79.8 | 163.9 | 0 | 0 | 0 | 109.8 | | |
| 714 | F | 32.7 | Very low | 35 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | | | | -177.2 | 116.7 | 125.8 | -116.3 | -116.5 | 0 | 0 | 0 | 115 | G712 | G712-F714 PolarHBondContact O-N 2.96Š|
| 715 | T | 33.4 | Very low | 34.7 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | | | trans | 45 | 122.9 | 140.7 | 64.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 716 | G | 36.8 | Very low | 34.7 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 76% | 0.763 | S | S | * | * | | | trans | 172.4 | 52.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 717 | I | 34.4 | Very low | 34.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 73% | 0.728 | 77% | 0.769 | S | S | * | * | | | | 78.2 | 111.6 | 97.8 | -66.9 | 176.6 | 0 | 0 | 0 | 115.5 | | |
| 718 | L | 33.6 | Very low | 34.6 | Very low | 145 Ų | 145 | 130.4 Ų | 130.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 68.7 | 150.3 | 164.1 | -91.4 | 52.8 | 0 | 0 | 0 | 117.1 | | |
| 719 | T | 34.5 | Very low | 34.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | cis | -149.6 | 138.7 | 8 | -14.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 720 | K | 36.9 | Very low | 34.4 | Very low | 186 Ų | 186 | 130.8 Ų | 130.8 | 81% | 0.809 | 77% | 0.768 | S | S | * | * | | | trans | 26.3 | 141.8 | 135.4 | -57.9 | 166.3 | -164.7 | 169.3 | 0 | 119.4 | | |
| 721 | S | 37 | Very low | 34.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | cis | -154.8 | 150.6 | 37.7 | 53.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 722 | N | 29.5 | Very low | 34.7 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | trans | -106.8 | 132.4 | 176.5 | 176.2 | 39.9 | 0 | 0 | 0 | 111.9 | | |
| 723 | V | 37.3 | Very low | 34.7 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.715 | 73% | 0.729 | S | S | * | * | | | trans | -155.3 | 119.9 | 163.3 | -177.6 | 0 | 0 | 0 | 0 | 105 | | |
| 724 | E | 31.2 | Very low | 35.1 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | | | cis | 80.3 | 55.6 | 30.3 | -153.4 | 179.8 | -166.8 | 0 | 0 | 115.8 | | |
| 725 | S | 34 | Very low | 35.6 | Very low | 100 Ų | 100 | 122.9 Ų | 122.9 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | | | trans | -178 | 144.4 | 159.6 | 54.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 726 | S | 35.7 | Very low | 35.8 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 66% | 0.657 | 71% | 0.706 | S | S | * | * | | | cis | 159.8 | 130.2 | -17.5 | 51.6 | 0 | 0 | 0 | 0 | 105.5 | | |
| 727 | N | 28.8 | Very low | 35.6 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | | | trans | 61.4 | 160.5 | 158.2 | -55.7 | -19.8 | 0 | 0 | 0 | 119.6 | | |
| 728 | A | 37.9 | Very low | 36.1 | Very low | 90 Ų | 90 | 129.8 Ų | 129.8 | 74% | 0.744 | 70% | 0.702 | S | S | * | * | | | trans | 66.2 | 141.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 729 | D | 32 | Very low | 36.5 | Very low | 149 Ų | 149 | 128.5 Ų | 128.5 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | | | cis | 162.5 | 158.8 | -21 | -105.1 | -47.5 | 0 | 0 | 0 | 104.3 | | |
| 730 | S | 36.7 | Very low | 36.4 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 69% | 0.693 | S | S | * | * | | | trans | 69.5 | 122.6 | 173.6 | -65.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 731 | Q | 34.7 | Very low | 36.1 | Very low | 143 Ų | 143 | 130 Ų | 130 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | | | | 73.3 | 131 | 50.9 | -165.8 | 178.2 | 8 | 0 | 0 | 109.5 | H733 | Q731-H733 PolarHBondContact NE2-NE2 2.99Š|
| 732 | V | 40.6 | Very low | 36 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 66% | 0.655 | 70% | 0.697 | S | S | * | * | | | | -161.2 | 119.1 | 82.4 | 152.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 733 | H | 38.6 | Very low | 36.2 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 45% | 0.454 | 70% | 0.7 | S | S | . | * | | | trans | 42.3 | 168 | 137.2 | -55.4 | -95.3 | 0 | 0 | 0 | 120.3 | Q731 E735 | Q731-H733 PolarHBondContact NE2-NE2 2.99Å; H733-E735 IonicContact CE1-OE2 2.89Å; H733-E735 PolarHBondContact CE1-OE2 3.33Å; H733-E735 VanDerWaalsContact CE1-OE2 3.27Å; H733-E735 IonicContact ND1-OE2 2.74Å; H733-E735 PolarHBondContact ND1-OE2 3.32Å |
| 734 | H | 41.1 | Very low | 35.7 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | | | cis | -140 | 128.9 | 13.4 | -59.7 | -100.2 | 0 | 0 | 0 | 108.7 | | |
| 735 | E | 43.1 | Very low | 35.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 45% | 0.449 | 70% | 0.702 | S | S | . | * | | | | 55.8 | 96.9 | 58.2 | -65.3 | -156.4 | 101.7 | 0 | 0 | 115.8 | H733 R737 | H733-E735 IonicContact CE1-OE2 2.89Å; H733-E735 PolarHBondContact CE1-OE2 3.33Å; H733-E735 VanDerWaalsContact CE1-OE2 3.27Å; H733-E735 IonicContact ND1-OE2 2.74Å; H733-E735 PolarHBondContact ND1-OE2 3.32Å; E735-R737 HydrophobicContact CB-CG 4.47Å; E735-R737 IonicContact OE1-CZ 3.79Å; E735-R737 IonicContact OE1-NE 3.51Å; E735-R737 PolarHBondContact OE1-NE 3.36Å; E735-R737 IonicContact OE1-NH2 3.42Å; E735-R737 PolarHBondContact OE1-NH2 2.84Å; E735-R737 IonicContact OE2-CZ 3.49Å; E735-R737 IonicContact OE2-NE 2.74Å; E735-R737 IonicContact OE2-NH2 2.62Å; E735-R737 PolarHBondContact OE2-NH2 3.01Å |
| 736 | N | 38.2 | Very low | 35.6 | Very low | 152 Ų | 152 | 124.2 Ų | 124.2 | 81% | 0.813 | 70% | 0.702 | S | S | * | * | | | trans | -155.7 | 73.7 | 157 | -152.1 | 44.4 | 0 | 0 | 0 | 111.8 | | |
| 737 | R | 32.6 | Very low | 35.6 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 56% | 0.555 | 71% | 0.709 | S | S | * | * | | | | 53.7 | 87.1 | 77.2 | -60.8 | -175.9 | 174.4 | -174.7 | 1.4 | 115.3 | E735 | E735-R737 HydrophobicContact CB-CG 4.47Å; E735-R737 IonicContact OE1-CZ 3.79Å; E735-R737 IonicContact OE1-NE 3.51Å; E735-R737 PolarHBondContact OE1-NE 3.36Å; E735-R737 IonicContact OE1-NH2 3.42Å; E735-R737 PolarHBondContact OE1-NH2 2.84Å; E735-R737 IonicContact OE2-CZ 3.49Å; E735-R737 IonicContact OE2-NE 2.74Å; E735-R737 IonicContact OE2-NH2 2.62Å; E735-R737 PolarHBondContact OE2-NH2 3.01Å |
| 738 | H | 44.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -119.3 | 136.2 | 135.5 | -84.7 | -76.3 | 0 | 0 | 0 | 107.3 | | |
| 739 | N | 42.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | | | cis | -151.4 | 135.3 | -24.1 | -110 | -19.4 | 0 | 0 | 0 | 105.5 | | |
| 740 | L | 31.7 | Very low | 35.3 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | | | | 59.3 | 130.7 | 70.5 | -117.1 | 79.1 | 0 | 0 | 0 | 114.4 | | |
| 741 | F | 31.3 | Very low | 35 | Very low | 209 Ų | 209 | 126.8 Ų | 126.8 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | | | trans | 70.1 | 146.7 | -171 | -67.3 | -106.6 | 0 | 0 | 0 | 115.1 | | |
| 742 | G | 35 | Very low | 34.6 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 70% | 0.704 | S | S | * | * | | | cis | 162.4 | 118.6 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 743 | G | 33 | Very low | 33.9 | Very low | 75 Ų | 75 | 127.8 Ų | 127.8 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | | | trans | 144.5 | 111.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 744 | S | 28 | Very low | 33.5 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | | | cis | 76.9 | 56.7 | 14.5 | -172.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 745 | L | 33.4 | Very low | 33 | Very low | 152 Ų | 152 | 126.6 Ų | 126.6 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | trans | -156.4 | 133 | 134.1 | -124.5 | 61.6 | 0 | 0 | 0 | 105.5 | | |
| 746 | C | 29.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | | | cis | 68.5 | 139.8 | 43.1 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 747 | D | 35.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | | | trans | 73.2 | 98.5 | -164.8 | -54.5 | -1.4 | 0 | 0 | 0 | 111.9 | | |
| 748 | E | 40 | Very low | 32.6 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | | | cis | 44.7 | 69.6 | 30.1 | -159.6 | 178.5 | 164.8 | 0 | 0 | 113 | Q750 | E748-Q750 PolarHBondContact O-N 3.3Å; E748-Q750 PolarHBondContact OE1-NE2 2.83Å |
| 749 | S | 27 | Very low | 32.4 | Very low | 125 Ų | 125 | 123.8 Ų | 123.8 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | | | trans | -61.5 | 111.4 | 138.4 | -72.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 750 | Q | 25.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 67% | 0.673 | 72% | 0.724 | S | S | * | * | | | trans | -52.6 | 135.4 | -168.7 | -156.8 | 116.5 | 79.2 | 0 | 0 | 112.6 | E748 | E748-Q750 PolarHBondContact O-N 3.3Å; E748-Q750 PolarHBondContact OE1-NE2 2.83Å |
| 751 | A | 29.7 | Very low | 32.3 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -60.9 | 147.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 752 | V | 26.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 121.4 Ų | 121.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | 68.7 | 95.4 | -168.1 | -164.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 753 | M | 26.6 | Very low | 33.3 | Very low | 152 Ų | 152 | 124.9 Ų | 124.9 | 75% | 0.749 | 72% | 0.717 | S | S | * | * | | | | -155.2 | 152 | 79.7 | -92 | -63.1 | -161.8 | 0 | 0 | 113.3 | | |
| 754 | D | 28.4 | Very low | 33.9 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 71% | 0.711 | 71% | 0.709 | S | S | * | * | | | trans | 21.3 | 134 | 138.1 | -74.8 | -28.7 | 0 | 0 | 0 | 120.4 | | |
| 755 | S | 31 | Very low | 34.6 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | | | cis | 175.2 | 166.9 | -1.8 | -120 | 0 | 0 | 0 | 0 | 108.3 | | |
| 756 | V | 34.6 | Very low | 34.9 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.685 | 71% | 0.71 | S | S | * | * | | | trans | 57.6 | 103.8 | 138.7 | 173.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 757 | T | 35.5 | Very low | 35.6 | Very low | 118 Ų | 118 | 132 Ų | 132 | 72% | 0.724 | 72% | 0.721 | S | S | * | * | | | trans | 77 | 154.3 | 138.9 | 71.4 | 0 | 0 | 0 | 0 | 119 | | |
| 758 | T | 36.6 | Very low | 35.7 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 59% | 0.589 | 72% | 0.72 | S | S | * | * | | | cis | -164 | 160.7 | -5.5 | 15 | 0 | 0 | 0 | 0 | 111.4 | | |
| 759 | K | 38.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 130.3 Ų | 130.3 | 80% | 0.8 | 72% | 0.724 | S | S | * | * | | | trans | 70.6 | 150.4 | 144 | -75.4 | 160.3 | -167.9 | 170 | 0 | 116.5 | | |
| 760 | S | 35.5 | Very low | 36 | Very low | 86 Ų | 86 | 133 Ų | 133 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | | | cis | -173.3 | 141.3 | -6 | 40.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 761 | F | 37.2 | Very low | 36.3 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | | | trans | 67.4 | 162.5 | 149.3 | -67.2 | -151.1 | 0 | 0 | 0 | 113.9 | | |
| 762 | D | 42.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | | | cis | -165.6 | 167.5 | -21 | -90.8 | -10.2 | 0 | 0 | 0 | 104.5 | | |
| 763 | E | 45.1 | Very low | 36.5 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | cis | -161 | 146.3 | 10.4 | -130.1 | -177 | 106.5 | 0 | 0 | 107.3 | | |
| 764 | N | 44.7 | Very low | 36.7 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | | | trans | 68.5 | 156.6 | 150.4 | -52 | -16.6 | 0 | 0 | 0 | 120 | | |
| 765 | D | 43.8 | Very low | 37.1 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | cis | -159.9 | 163.4 | -14.8 | -98.7 | -17.5 | 0 | 0 | 0 | 109.6 | | |
| 766 | D | 39.4 | Very low | 37 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 83% | 0.829 | 73% | 0.733 | S | S | * | * | | | trans | -86.4 | 150.9 | -167.4 | -46.5 | -76.7 | 0 | 0 | 0 | 117.4 | | |
| 767 | I | 42.4 | Very low | 36.9 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 92% | 0.918 | 73% | 0.726 | S | S | * | * | | | trans | -140.2 | 134.7 | 149.5 | -57.2 | -177.3 | 0 | 0 | 0 | 108.3 | | |
| 768 | D | 39.4 | Very low | 36.7 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 73% | 0.728 | S | S | * | * | | | trans | -115.3 | 172.9 | -163.5 | -174.7 | 24.5 | 0 | 0 | 0 | 113.4 | | |
| 769 | S | 38 | Very low | 36.5 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | 112.6 | 59.6 | 168.6 | -47.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 770 | Q | 34.1 | Very low | 36.2 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -141.3 | 120.3 | 139.4 | -79.9 | -156.8 | 6.1 | 0 | 0 | 112.1 | | |
| 771 | V | 32 | Very low | 36.1 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | trans | 31.8 | 92.5 | 151.6 | -165.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 772 | R | 30.9 | Very low | 35.9 | Very low | 217 Ų | 217 | 140 Ų | 140 | 82% | 0.819 | 74% | 0.743 | S | S | * | * | | | | 176.7 | 140.6 | 126.7 | -96.5 | 171.2 | -172.4 | -101.7 | -0.2 | 112.7 | | |
| 773 | H | 30.1 | Very low | 35.3 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 52% | 0.519 | 75% | 0.75 | S | S | . | * | | | trans | 34.6 | 140.2 | 151.1 | -73.4 | -81.8 | 0 | 0 | 0 | 123.9 | | |
| 774 | N | 31.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 66% | 0.658 | 75% | 0.754 | S | S | * | * | | | trans | 69.9 | 73.5 | 139.8 | -61.7 | -15.9 | 0 | 0 | 0 | 119.4 | R776 | N774-R776 VanDerWaalsContact O-CD 3.3Å; N774-R776 WeakPolarHBondContact O-CD 3.33Å; N774-R776 WeakPolarHBondContact O-CG 3.24Å |
| 775 | D | 35.2 | Very low | 34.3 | Very low | 150 Ų | 150 | 138.2 Ų | 138.2 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | | -98.6 | 119.9 | 120.3 | -96.2 | -34.8 | 0 | 0 | 0 | 107.3 | | |
| 776 | R | 30.4 | Very low | 33.8 | Very low | 198 Ų | 198 | 138 Ų | 138 | 75% | 0.747 | 75% | 0.752 | S | S | * | * | | | | 60.3 | 145.5 | 51 | -44.2 | 165.6 | 78.2 | -179.9 | 7.1 | 109.8 | N774 | N774-R776 VanDerWaalsContact O-CD 3.3Å; N774-R776 WeakPolarHBondContact O-CD 3.33Å; N774-R776 WeakPolarHBondContact O-CG 3.24Å |
| 777 | C | 31.3 | Very low | 33.5 | Very low | 81 Ų | 81 | 138 Ų | 138 | 55% | 0.547 | 75% | 0.747 | S | S | . | * | | | cis | -166.7 | 143.6 | 24.3 | -149.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 778 | N | 30.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | | | trans | 69.9 | 171.5 | 164.9 | -40 | -61.3 | 0 | 0 | 0 | 115.2 | | |
| 779 | L | 34.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | | | cis | -153.3 | 131.1 | 12 | -172.2 | 63.6 | 0 | 0 | 0 | 112.7 | | |
| 780 | F | 31.5 | Very low | 32.8 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 90% | 0.895 | 73% | 0.725 | S | S | * | * | | | trans | 64.9 | 156.6 | 169.5 | -80.2 | -145.2 | 0 | 0 | 0 | 116.2 | | |
| 781 | G | 32.6 | Very low | 32.9 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | | | cis | 153.8 | 133.1 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 782 | G | 34.1 | Very low | 33.2 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | | | trans | 110.6 | 126.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 783 | S | 30.1 | Very low | 33.5 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | cis | 61.7 | 130.3 | 33.6 | -137.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 784 | I | 35.1 | Very low | 33.9 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | cis | -145 | 127.6 | 35.6 | 9.3 | 177 | 0 | 0 | 0 | 109.4 | | |
| 785 | S | 32.8 | Very low | 34.2 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | | | | 61.9 | 114 | 93.9 | -172.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 786 | N | 33.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 123.3 Ų | 123.3 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | | | | -169.8 | 121.2 | 111.7 | -80.1 | -31 | 0 | 0 | 0 | 107.9 | | |
| 787 | Q | 33 | Very low | 34.9 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | | 66.2 | 114.8 | 72.8 | -170.7 | 173.3 | 94.2 | 0 | 0 | 110.4 | | |
| 788 | S | 35.7 | Very low | 35.1 | Very low | 100 Ų | 100 | 123.5 Ų | 123.5 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | cis | -121.5 | 152.3 | 45.2 | -74.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 789 | Q | 33.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 61% | 0.607 | 73% | 0.727 | S | S | * | * | | | | 57.3 | 138.3 | 65.4 | -59.1 | 176.4 | -71.7 | 0 | 0 | 112.4 | | |
| 790 | E | 36 | Very low | 35.7 | Very low | 143 Ų | 143 | 123.3 Ų | 123.3 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | cis | -166.8 | 172 | 2.6 | -126.1 | 162.9 | 58.6 | 0 | 0 | 107.5 | | |
| 791 | L | 36.7 | Very low | 35.8 | Very low | 134 Ų | 134 | 117.1 Ų | 117.1 | 70% | 0.702 | 72% | 0.724 | S | S | * | * | | | cis | -149.2 | 133.3 | 16.7 | -104.2 | 172.7 | 0 | 0 | 0 | 107.2 | | |
| 792 | V | 38.4 | Very low | 35.9 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 66% | 0.661 | 72% | 0.719 | S | S | * | * | | | | 80.9 | 128.5 | 100.9 | 139.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 793 | D | 35.8 | Very low | 35.8 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | | | trans | 33.4 | 123 | 151 | -43.3 | -16.7 | 0 | 0 | 0 | 119.8 | | |
| 794 | G | 39.4 | Very low | 36 | Very low | 68 Ų | 68 | 124.9 Ų | 124.9 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | | | cis | 123.4 | -168.2 | 34 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 795 | T | 37.3 | Very low | 36 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | | | trans | 65.1 | 79.4 | 175.8 | -38.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 796 | A | 34.9 | Very low | 36.1 | Very low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | | 53.2 | 100.5 | 74.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 797 | K | 45.1 | Very low | 36.1 | Very low | 185 Ų | 185 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -160.7 | 128.9 | 132.8 | -95.8 | 129.2 | -160 | 163.6 | 0 | 108.1 | | |
| 798 | S | 36.1 | Very low | 36.2 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | | | | 71 | 121.7 | 74.2 | -149.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 799 | I | 39.5 | Very low | 36 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | cis | -151.9 | 154.6 | 39.6 | -130 | 137.3 | 0 | 0 | 0 | 113.4 | | |
| 800 | T | 37.8 | Very low | 35.8 | Very low | 130 Ų | 130 | 125.9 Ų | 125.9 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | | | trans | 0.8 | 146.4 | 144.2 | -31 | 0 | 0 | 0 | 0 | 119.1 | | |
| 801 | G | 34.7 | Very low | 35.6 | Very low | 73 Ų | 73 | 126 Ų | 126 | 75% | 0.753 | 74% | 0.739 | S | S | * | * | | | cis | 137.9 | 156.5 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 802 | G | 34.9 | Very low | 35.5 | Very low | 64 Ų | 64 | 125.2 Ų | 125.2 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | | | trans | 106.8 | 136.9 | -173 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 803 | Y | 32.1 | Very low | 35.2 | Very low | 233 Ų | 233 | 125.1 Ų | 125.1 | 91% | 0.914 | 73% | 0.731 | S | S | * | * | | | cis | 59.1 | 134.2 | 25.5 | -56.5 | -95.4 | 0 | 0 | 0 | 113.5 | | |
| 804 | V | 32.9 | Very low | 35 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | | | cis | -144.6 | -174 | 7.8 | 90.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 805 | T | 35 | Very low | 34.6 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | -61 | 161.2 | -178.8 | 53 | 0 | 0 | 0 | 0 | 115.5 | | |
| 806 | D | 34.4 | Very low | 34.3 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 83% | 0.829 | 73% | 0.727 | S | S | * | * | | | | -178.8 | 162.4 | 110.2 | -88.7 | -0.3 | 0 | 0 | 0 | 112.1 | | |
| 807 | S | 34.9 | Very low | 34.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -95.4 | 167.4 | -165 | -68.4 | 0 | 0 | 0 | 0 | 115.5 | | |
| 808 | Q | 35.1 | Very low | 33.6 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 73% | 0.727 | S | S | * | * | | | trans | 92.2 | 148.4 | 141.8 | -138.7 | -170.7 | 67.2 | 0 | 0 | 119.7 | | |
| 809 | T | 31.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 134 Ų | 134 | 61% | 0.607 | 73% | 0.734 | S | S | * | * | | | trans | 78.9 | 101.6 | 164.4 | 72.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 810 | N | 29.3 | Very low | 33.4 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | | | | 89.5 | 143.9 | 115.9 | -93.4 | -20.5 | 0 | 0 | 0 | 123.1 | | |
| 811 | H | 32.3 | Very low | 33.3 | Very low | 145 Ų | 145 | 129.4 Ų | 129.4 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | | | trans | 71.1 | 120.8 | 144.6 | -78.5 | -61.1 | 0 | 0 | 0 | 120.5 | | |
| 812 | D | 33.6 | Very low | 33.6 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 63% | 0.631 | 73% | 0.733 | S | S | * | * | | | | 103.1 | 111.4 | 122.8 | -81 | 20.5 | 0 | 0 | 0 | 120.8 | | |
| 813 | N | 32.7 | Very low | 33.8 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 58% | 0.578 | 73% | 0.731 | S | S | * | * | | | | 82.2 | 88.5 | 124.2 | -65.8 | -28.1 | 0 | 0 | 0 | 119.7 | | |
| 814 | H | 32.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | | | | 74.8 | 162.6 | 122.7 | -63.2 | -55.9 | 0 | 0 | 0 | 118.6 | | |
| 815 | R | 30 | Very low | 34.7 | Very low | 215 Ų | 215 | 131 Ų | 131 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | | | trans | 69.9 | 132.4 | 155.5 | -82.5 | 175.3 | 77.2 | -120.1 | 5.6 | 113 | | |
| 816 | I | 32.4 | Very low | 34.8 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 58% | 0.579 | 72% | 0.723 | S | S | * | * | | | cis | -152.8 | 124.4 | 39.4 | -76.2 | -168.6 | 0 | 0 | 0 | 112 | | |
| 817 | L | 31.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 66% | 0.66 | 72% | 0.723 | S | S | * | * | | | trans | 43.5 | 148.7 | 133.3 | -48.1 | 174.9 | 0 | 0 | 0 | 123.6 | | |
| 818 | F | 32.2 | Very low | 35.1 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | | | trans | 78.5 | 134.4 | 159.2 | -47.3 | -67.8 | 0 | 0 | 0 | 117.5 | | |
| 819 | G | 36.4 | Very low | 35.2 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 83% | 0.825 | 71% | 0.708 | S | S | * | * | | | cis | 154.2 | 151.4 | -11.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 820 | G | 35.8 | Very low | 35.8 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | trans | 103.7 | 116.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 821 | S | 36.3 | Very low | 36.4 | Very low | 112 Ų | 112 | 131 Ų | 131 | 78% | 0.783 | 71% | 0.71 | S | S | * | * | | | | 67.7 | 120.1 | 67.2 | 76.3 | 0 | 0 | 0 | 0 | 112 | | |
| 822 | I | 39.7 | Very low | 36.9 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 81% | 0.805 | 72% | 0.719 | S | S | * | * | | | | -168.6 | 162.2 | 65.7 | 43.7 | 169.2 | 0 | 0 | 0 | 109.9 | | |
| 823 | S | 40.5 | Very low | 37.2 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | cis | -172.3 | 169.3 | -12.3 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 824 | T | 41.5 | Very low | 37.8 | Very low | 123 Ų | 123 | 129 Ų | 129 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | 67.7 | 141.3 | 154.9 | 44.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 825 | Q | 41.7 | Very low | 38.4 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | | | cis | -170.4 | 126 | -4.4 | 162.6 | 171.2 | 23.9 | 0 | 0 | 113.7 | | |
| 826 | S | 38.1 | Very low | 39 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | trans | 57.2 | 161 | 148.8 | -65 | 0 | 0 | 0 | 0 | 120 | | |
| 827 | Q | 39.5 | Very low | 39.6 | Very low | 176 Ų | 176 | 125.1 Ų | 125.1 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | | | cis | -165.9 | 164.4 | -1.4 | -114.3 | 158.6 | 2.5 | 0 | 0 | 106 | | |
| 828 | A | 35.1 | Very low | 40.3 | Very low | 63 Ų | 63 | 126.6 Ų | 126.6 | 52% | 0.521 | 74% | 0.744 | S | S | . | * | | | cis | 175.2 | 166.7 | -27.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 829 | F | 36.5 | Very low | 40.6 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | | | trans | 73.2 | 154.5 | 173.4 | -45.7 | -69.1 | 0 | 0 | 0 | 115.9 | | |
| 830 | M | 44.6 | Very low | 40.8 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | | | cis | -174 | 153.9 | -14.4 | -99.8 | 169.7 | 148.6 | 0 | 0 | 105.3 | | |
| 831 | D | 42.1 | Very low | 41.1 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | cis | -165.9 | 175.5 | -9.4 | -102.3 | -1.1 | 0 | 0 | 0 | 107.7 | | |
| 832 | L | 42.8 | Very low | 41 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 86% | 0.859 | 73% | 0.73 | S | S | * | * | | | trans | 77.8 | 114.9 | 174.8 | -42.7 | 179.6 | 0 | 0 | 0 | 115.3 | | |
| 833 | A | 39.7 | Very low | 40.9 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | cis | 93.7 | 131.3 | 22 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 834 | G | 44.4 | Very low | 40.7 | Very low | 61 Ų | 61 | 132.9 Ų | 132.9 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | | | trans | 120.4 | 85.1 | -163.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 835 | D | 46.7 | Very low | 40.3 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 73% | 0.73 | S | S | * | * | | | | 73.6 | 116.3 | 75.6 | -62.5 | 18.4 | 0 | 0 | 0 | 110.4 | | |
| 836 | N | 41.1 | Very low | 40 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | | | cis | -151.9 | 170.3 | 2.7 | -76.9 | -41.7 | 0 | 0 | 0 | 110.2 | | |
| 837 | D | 46 | Very low | 40 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | 30.6 | 132.4 | 145.9 | -43 | -28.4 | 0 | 0 | 0 | 119.4 | | |
| 838 | D | 44.6 | Very low | 39.6 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | cis | -136.1 | 172.8 | 40 | -94.1 | -52.2 | 0 | 0 | 0 | 116 | | |
| 839 | L | 40.1 | Very low | 39.6 | Very low | 139 Ų | 139 | 141.8 Ų | 141.8 | 73% | 0.728 | 76% | 0.757 | S | S | * | * | | | trans | -81.9 | 162.6 | 172.1 | -63.9 | 100.4 | 0 | 0 | 0 | 110.5 | | |
| 840 | D | 40.7 | Very low | 39.6 | Very low | 132 Ų | 132 | 141 Ų | 141 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | -147.8 | 153.9 | 29.6 | -137.7 | -24.6 | 0 | 0 | 0 | 116.7 | | |
| 841 | S | 41 | Very low | 39.3 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | | | trans | -12.7 | 126.2 | 154.1 | -44.9 | 0 | 0 | 0 | 0 | 116.2 | | |
| 842 | Q | 34.2 | Very low | 39 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | cis | 62.9 | 59.3 | 46.5 | -156.8 | 174.9 | 90.2 | 0 | 0 | 115.2 | | |
| 843 | I | 37.4 | Very low | 38.5 | Very low | 161 Ų | 161 | 143.8 Ų | 143.8 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -118.2 | 100.3 | 148.8 | -65.6 | -179.2 | 0 | 0 | 0 | 105.6 | | |
| 844 | Q | 37.3 | Very low | 38.1 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 63% | 0.631 | 78% | 0.775 | S | S | * | * | | | | 74.4 | 98 | 73.7 | -69.9 | -94.2 | -45.9 | 0 | 0 | 113.4 | | |
| 845 | H | 31.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 144 Ų | 144 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | trans | 69 | 138.1 | 144.6 | -72.3 | -92.4 | 0 | 0 | 0 | 121.9 | | |
| 846 | E | 35.5 | Very low | 37 | Very low | 180 Ų | 180 | 144.9 Ų | 144.9 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | | | trans | 70.8 | 109 | 139.5 | -160.3 | 160.2 | -125.7 | 0 | 0 | 117.4 | | |
| 847 | K | 38.6 | Very low | 36.5 | Very low | 209 Ų | 209 | 143.5 Ų | 143.5 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | | | trans | 175.6 | 10.5 | -149 | -47.9 | 170.1 | -172.1 | 176 | 0 | 115.6 | | |
| 848 | H | 32.1 | Very low | 35.8 | Very low | 197 Ų | 197 | 142.8 Ų | 142.8 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | | | trans | -77.8 | 131.6 | 177.7 | -79 | -88.6 | 0 | 0 | 0 | 111.5 | | |
| 849 | G | 33.9 | Very low | 35.2 | Very low | 63 Ų | 63 | 143.5 Ų | 143.5 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | 99.3 | 140.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 850 | N | 36.4 | Very low | 34.8 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | 65.3 | 107.1 | 156.1 | -53.3 | -13.1 | 0 | 0 | 0 | 118.3 | | |
| 851 | L | 39.4 | Very low | 34.5 | Very low | 171 Ų | 171 | 143.5 Ų | 143.5 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | | | trans | -168.3 | 78.4 | 140.6 | -109.7 | 166.4 | 0 | 0 | 0 | 112.4 | | |
| 852 | F | 34.4 | Very low | 34.1 | Very low | 214 Ų | 214 | 147.8 Ų | 147.8 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | | | trans | -161.4 | 42.3 | 147.2 | -122.3 | -72.3 | 0 | 0 | 0 | 113.4 | | |
| 853 | S | 33.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -88.4 | 106.3 | 164.7 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | S855 | S853-S855 VanDerWaalsContact C-N 3.35Å; S853-S855 PolarHBondContact O-N 2.79Å; S853-S855 PolarHBondContact OG-OG 3.08Å |
| 854 | G | 31.4 | Very low | 34 | Very low | 80 Ų | 80 | 143.9 Ų | 143.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -75.6 | 84.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 855 | S | 33.5 | Very low | 33.8 | Very low | 90 Ų | 90 | 144.8 Ų | 144.8 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | | | trans | -125.1 | 109.6 | 173.4 | -61.5 | 0 | 0 | 0 | 0 | 110.6 | S853 C857 | S853-S855 VanDerWaalsContact C-N 3.35Å; S853-S855 PolarHBondContact O-N 2.79Å; S853-S855 PolarHBondContact OG-OG 3.08Å; S855-C857 PolarHBondContact O-N 3.31Å |
| 856 | I | 34.4 | Very low | 34 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | | | trans | -72 | 94.3 | 173 | -63.4 | 172.5 | 0 | 0 | 0 | 107.8 | V858 | I856-V858 HydrophobicContact CG2-CG2 4.19Å; I856-V858 PolarHBondContact O-N 2.9Å |
| 857 | C | 29.2 | Very low | 33.7 | Very low | 97 Ų | 97 | 142.5 Ų | 142.5 | 66% | 0.655 | 79% | 0.786 | S | S | * | * | | | trans | -89.6 | 90.1 | 178.9 | -169.9 | 0 | 0 | 0 | 0 | 110.4 | S855 Q859 | S855-C857 PolarHBondContact O-N 3.31Å; C857-Q859 VanDerWaalsContact C-N 3.34Å; C857-Q859 PolarHBondContact O-N 2.93Å |
| 858 | V | 32.8 | Very low | 33.6 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 89.4 | 167.5 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | I856 S860 | I856-V858 HydrophobicContact CG2-CG2 4.19Å; I856-V858 PolarHBondContact O-N 2.9Å; V858-S860 PolarHBondContact O-N 2.82Å; V858-S860 VanDerWaalsContact O-N 3.16Å |
| 859 | Q | 32 | Very low | 33.5 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -79.4 | 90.9 | 166.3 | -89.5 | -176.9 | 1.1 | 0 | 0 | 110 | C857 Q861 | C857-Q859 VanDerWaalsContact C-N 3.34Å; C857-Q859 PolarHBondContact O-N 2.93Å; Q859-Q861 PolarHBondContact O-N 2.62Å |
| 860 | S | 32.1 | Very low | 33.5 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | | | trans | -55.1 | 125.3 | 171.4 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | V858 E862 | V858-S860 PolarHBondContact O-N 2.82Å; V858-S860 VanDerWaalsContact O-N 3.16Å; S860-E862 PolarHBondContact O-N 2.98Å |
| 861 | Q | 33.4 | Very low | 33.2 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -75.3 | 91.2 | 167.8 | -71 | -173.2 | 2.6 | 0 | 0 | 110 | Q859 S863 | Q859-Q861 PolarHBondContact O-N 2.62Å; Q861-S863 PolarHBondContact O-N 3.19Å |
| 862 | E | 32.4 | Very low | 33 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -67.9 | 83.9 | 167.2 | -72.5 | -158.9 | 128.5 | 0 | 0 | 110.7 | S860 I864 | S860-E862 PolarHBondContact O-N 2.98Å; E862-I864 VanDerWaalsContact C-N 3.26Å; E862-I864 PolarHBondContact O-N 3.05Å |
| 863 | S | 37.1 | Very low | 32.8 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | -72.6 | 81 | 170.7 | -70.2 | 0 | 0 | 0 | 0 | 110.2 | Q861 N865 | Q861-S863 PolarHBondContact O-N 3.19Å; S863-N865 PolarHBondContact O-N 3.05Å |
| 864 | I | 31.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | trans | -54.4 | 101.5 | 173.7 | 3.5 | 171.7 | 0 | 0 | 0 | 110.5 | E862 | E862-I864 VanDerWaalsContact C-N 3.26Å; E862-I864 PolarHBondContact O-N 3.05Å |
| 865 | N | 33.8 | Very low | 33.1 | Very low | 155 Ų | 155 | 141.1 Ų | 141.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -99.6 | 103.6 | 167.4 | -90.4 | -57.9 | 0 | 0 | 0 | 109 | S863 V867 | S863-N865 PolarHBondContact O-N 3.05Å; N865-V867 PolarHBondContact O-N 2.83Å |
| 866 | E | 36 | Very low | 33.2 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -61.4 | 125.6 | -174.4 | -71.2 | -177 | 100.7 | 0 | 0 | 113.7 | | |
| 867 | V | 30.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | | 30.5 | 98.1 | 125.8 | -170.3 | 0 | 0 | 0 | 0 | 116.2 | N865 | N865-V867 PolarHBondContact O-N 2.83Š|
| 868 | K | 35.9 | Very low | 33.2 | Very low | 206 Ų | 206 | 134.7 Ų | 134.7 | 90% | 0.896 | 73% | 0.725 | S | S | * | * | | | trans | -125.6 | 70.2 | 140.9 | -78 | -169 | 178 | 162.8 | 0 | 112.5 | S870 | K868-S870 PolarHBondContact O-N 3.43Š|
| 869 | N | 29 | Very low | 33.3 | Very low | 140 Ų | 140 | 134 Ų | 134 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | | | trans | -58.1 | 106.3 | 156.7 | -87.9 | -35.6 | 0 | 0 | 0 | 110 | | |
| 870 | S | 35 | Very low | 33.3 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -151.5 | 73.5 | 164 | -85.8 | 0 | 0 | 0 | 0 | 112.1 | K868 | K868-S870 PolarHBondContact O-N 3.43Š|
| 871 | I | 29.6 | Very low | 33.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 73% | 0.733 | 70% | 0.697 | S | S | * | * | | | | 45 | 91.1 | 116.6 | -53.4 | 166.5 | 0 | 0 | 0 | 114.9 | | |
| 872 | I | 35.9 | Very low | 32.9 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | trans | -178.6 | 106 | 141.4 | -86.5 | 142.8 | 0 | 0 | 0 | 103.1 | | |
| 873 | N | 30.6 | Very low | 32.9 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | | | cis | 64.6 | 70.5 | 14 | -136.7 | 5.6 | 0 | 0 | 0 | 113.9 | | |
| 874 | N | 35.3 | Very low | 32.5 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 78% | 0.775 | 69% | 0.694 | S | S | * | * | | | trans | -166 | 103.9 | 149 | -97.3 | -47.8 | 0 | 0 | 0 | 110.9 | P876 | N874-P876 WeakPolarHBondContact O-CD 3.43Š|
| 875 | N | 35.2 | Very low | 32.2 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | | | trans | -85.1 | 128.2 | 165.8 | 171.4 | -17.6 | 0 | 0 | 0 | 109.3 | D877 | N875-D877 PolarHBondContact OD1-N 3.03Š|
| 876 | P | 36.5 | Very low | 31.9 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | | | trans | -129.2 | 70.7 | 161.9 | 39.1 | -24.6 | 0 | 0 | 0 | 113.8 | N874 | N874-P876 WeakPolarHBondContact O-CD 3.43Š|
| 877 | D | 32.4 | Very low | 31.5 | Very low | 43 Ų | 43 | 130.1 Ų | 130.1 | 23% | 0.23 | 67% | 0.674 | C | S | . | * | | | | 67.7 | 125.1 | 107.9 | -157.6 | 27.4 | 0 | 0 | 0 | 120.2 | N875 R1384 R1385 | N875-D877 PolarHBondContact OD1-N 3.03Å; D877-R1384 WeakPolarHBondContact OD2-CD 3.32Å; D877-R1384 IonicContact OD2-CZ 3.71Å; D877-R1384 IonicContact OD2-NE 2.91Å; D877-R1384 PolarHBondContact OD2-NE 2.89Å; D877-R1384 IonicContact OD2-NH1 3.95Å; D877-R1384 PolarHBondContact OD2-NH1 2.66Å; D877-R1384 IonicContact OD2-NH2 3.9Å; D877-R1385 IonicContact OD1-CZ 3.55Å; D877-R1385 VanDerWaalsContact OD1-CZ 3.23Å; D877-R1385 IonicContact OD1-NH1 3.74Å; D877-R1385 PolarHBondContact OD1-NH1 2.87Å; D877-R1385 IonicContact OD1-NH2 3.63Å; D877-R1385 PolarHBondContact OD1-NH2 2.71Å; D877-R1385 IonicContact OD2-CZ 2.73Å; D877-R1385 IonicContact OD2-NH1 3.23Å; D877-R1385 PolarHBondContact OD2-NH1 3.31Å; D877-R1385 IonicContact OD2-NH2 3.18Å |
| 878 | S | 31 | Very low | 31.5 | Very low | 60 Ų | 60 | 132.5 Ų | 132.5 | 42% | 0.42 | 68% | 0.678 | S | S | . | * | | | trans | 66.5 | 133.4 | 162.3 | 64.8 | 0 | 0 | 0 | 0 | 116.3 | R1384 | S878-R1384 PolarHBondContact OG-NE 2.78Å; S878-R1384 PolarHBondContact OG-NH2 2.73Å |
| 879 | H | 33.3 | Very low | 31 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 49% | 0.486 | 67% | 0.666 | S | S | . | * | | | | -156.6 | 151.3 | 53.5 | -99.7 | -119.2 | 0 | 0 | 0 | 112.8 | T1382 | H879-T1382 WeakPolarHBondContact CE1-CG2 3.48Å; H879-T1382 PolarHBondContact CE1-OG1 3.03Å; H879-T1382 VanDerWaalsContact CE1-OG1 3.29Å |
| 880 | E | 33 | Very low | 31 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 59% | 0.589 | 67% | 0.666 | S | S | * | * | | | trans | 65.1 | 162.4 | 145.7 | -70.6 | 172.2 | -135.8 | 0 | 0 | 116.8 | | |
| 881 | N | 29.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | | | cis | -148.1 | 165.8 | -11.9 | -130.1 | -52.3 | 0 | 0 | 0 | 107.7 | | |
| 882 | R | 28 | Very low | 30.6 | Very low | 195 Ų | 195 | 124.9 Ų | 124.9 | 74% | 0.736 | 66% | 0.658 | S | S | * | * | | | trans | 39.3 | 115.7 | 147.6 | -68.8 | 153.4 | -154.8 | -130.5 | -0.2 | 117.3 | | |
| 883 | R | 32.7 | Very low | 30.3 | Very low | 238 Ų | 238 | 126.3 Ų | 126.3 | 90% | 0.898 | 66% | 0.661 | S | S | * | * | | | | 31.2 | 74.5 | 52.2 | -148.5 | -155.2 | -137.2 | 124.8 | 3.5 | 112.6 | | |
| 884 | N | 27.3 | Very low | 30.3 | Very low | 114 Ų | 114 | 122.9 Ų | 122.9 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | | | trans | -175.1 | 148.9 | 144.2 | -98.4 | 11.1 | 0 | 0 | 0 | 109.4 | | |
| 885 | L | 26.7 | Very low | 30.1 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 63% | 0.628 | 66% | 0.656 | S | S | * | * | | | | 41.1 | 132.9 | 102 | -64.9 | 53.3 | 0 | 0 | 0 | 112.8 | | |
| 886 | F | 26.3 | Very low | 29.8 | Very low | 167 Ų | 167 | 122 Ų | 122 | 73% | 0.732 | 65% | 0.653 | S | S | * | * | | | cis | -113.9 | 164.4 | 21 | -73.2 | -99.2 | 0 | 0 | 0 | 110.4 | | |
| 887 | G | 29.1 | Very low | 29.5 | Very low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | | | cis | 75.3 | 145.2 | 41.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 888 | E | 29.1 | Very low | 29.4 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 76% | 0.757 | 67% | 0.672 | S | S | * | * | | | cis | -130.3 | 162 | 15.8 | -67.4 | 169.3 | 90.9 | 0 | 0 | 108.4 | | |
| 889 | S | 26.3 | Very low | 29.5 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 64% | 0.643 | 68% | 0.682 | S | S | * | * | | | | 43.7 | 109.2 | 68.7 | 147.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 890 | T | 27.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | | | | -157.2 | 142.9 | 70 | 31.3 | 0 | 0 | 0 | 0 | 110 | | |
| 891 | C | 27.9 | Very low | 29.4 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 66% | 0.662 | 69% | 0.691 | S | S | * | * | | | | 66.4 | 117.8 | 77.5 | -131.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 892 | D | 29.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 65% | 0.647 | 70% | 0.696 | S | S | * | * | | | trans | 43.4 | 121.1 | 143.2 | -47.9 | -23.3 | 0 | 0 | 0 | 119.8 | | |
| 893 | Q | 30.7 | Very low | 29.6 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | | | | -166.7 | 112.1 | 89.5 | -98.2 | 139.7 | 95.1 | 0 | 0 | 108.2 | | |
| 894 | S | 30 | Very low | 29.7 | Very low | 77 Ų | 77 | 124 Ų | 124 | 54% | 0.538 | 68% | 0.683 | S | S | . | * | | | | 94.4 | 141.5 | 54.8 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 895 | Q | 30.1 | Very low | 30.3 | Very low | 194 Ų | 194 | 124 Ų | 124 | 91% | 0.907 | 69% | 0.689 | S | S | * | * | | | trans | 69.3 | 145.8 | 169.7 | -53.8 | 161.2 | 11.9 | 0 | 0 | 113.9 | | |
| 896 | G | 30.1 | Very low | 30.5 | Very low | 63 Ų | 63 | 123.7 Ų | 123.7 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | | | cis | -128.1 | 166.8 | -2.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 897 | H | 28.9 | Very low | 30.6 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 81% | 0.81 | 69% | 0.69 | S | S | * | * | | | cis | 59.6 | 113.5 | 50 | -166.5 | 81.9 | 0 | 0 | 0 | 108 | | |
| 898 | V | 30.8 | Very low | 31 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 58% | 0.576 | 69% | 0.691 | S | S | * | * | | | cis | -174.2 | -174.2 | 15.8 | -108.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 899 | D | 33.8 | Very low | 31.4 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 69% | 0.69 | S | S | * | * | | | cis | -148.6 | 157.4 | -0.3 | -118.8 | -26.6 | 0 | 0 | 0 | 108.3 | | |
| 900 | E | 31.9 | Very low | 31.9 | Very low | 150 Ų | 150 | 127 Ų | 127 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | | 46.4 | 144.7 | 96.1 | -77.2 | -144.9 | 133.9 | 0 | 0 | 118.3 | | |
| 901 | I | 32.3 | Very low | 32.7 | Very low | 112 Ų | 112 | 128.5 Ų | 128.5 | 57% | 0.574 | 70% | 0.697 | S | S | * | * | | | cis | -175.5 | 168.8 | -23.7 | -148.2 | 173.8 | 0 | 0 | 0 | 110.3 | | |
| 902 | L | 30.1 | Very low | 33.3 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | | | trans | 64.4 | 166.5 | 161.6 | -87.6 | 36.4 | 0 | 0 | 0 | 116.2 | | |
| 903 | K | 30.7 | Very low | 33.6 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | cis | -148.9 | 129.4 | -6.6 | -130.4 | 142.2 | -166.5 | 168.5 | 0 | 106.4 | | |
| 904 | S | 35.9 | Very low | 33.7 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 70% | 0.701 | S | S | * | * | | | | 28.2 | 141.1 | 100.3 | 85.9 | 0 | 0 | 0 | 0 | 116 | | |
| 905 | P | 39.6 | Very low | 33.8 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | | | | -150.6 | 147.8 | 62.7 | 46.7 | -28.1 | 0 | 0 | 0 | 115.8 | | |
| 906 | V | 30.3 | Very low | 34 | Very low | 114 Ų | 114 | 131.9 Ų | 131.9 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | | 90 | 129.8 | 85.8 | 172.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 907 | N | 28.8 | Very low | 34.1 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 71% | 0.709 | S | S | * | * | | | trans | 64.8 | 157.7 | 162.4 | -65.8 | 3.3 | 0 | 0 | 0 | 118.9 | | |
| 908 | N | 36.4 | Very low | 34.2 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | | | cis | -128.1 | 162.2 | 11.9 | -55.6 | -91.3 | 0 | 0 | 0 | 109.2 | | |
| 909 | H | 37.5 | Very low | 34.4 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | | | | 55.3 | 131.4 | 57.9 | -97.1 | -75.2 | 0 | 0 | 0 | 112 | | |
| 910 | D | 36.9 | Very low | 34.6 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | cis | -145.1 | 168.4 | 18 | -73.7 | -82.6 | 0 | 0 | 0 | 112.9 | | |
| 911 | D | 44.4 | Very low | 34.4 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | -70.6 | 169.1 | 161.5 | -58 | -71.2 | 0 | 0 | 0 | 112.2 | | |
| 912 | P | 41.8 | Very low | 34.3 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | | | | -155.1 | 159.9 | 108 | 39.3 | -21.9 | 0 | 0 | 0 | 118.4 | | |
| 913 | D | 35.3 | Very low | 34.4 | Very low | 147 Ų | 147 | 132.9 Ų | 132.9 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | 32 | 134.3 | 142.7 | -54.2 | -27.2 | 0 | 0 | 0 | 123.1 | | |
| 914 | F | 33.1 | Very low | 34.5 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | | | | 83.4 | 116.5 | 52.1 | -110.4 | -79.4 | 0 | 0 | 0 | 117 | E916 | F914-E916 HydrophobicContact CD1-CG 4.36Å; F914-E916 HydrophobicContact CE1-CG 4.42Å |
| 915 | Q | 32.2 | Very low | 34.2 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 72% | 0.715 | 74% | 0.735 | S | S | * | * | | | trans | 169.2 | 129 | 149.4 | -95.2 | 156.8 | 30.3 | 0 | 0 | 107.5 | | |
| 916 | E | 33.3 | Very low | 33.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | cis | 88.5 | 96.6 | 29.7 | -70.6 | -158.1 | 147.7 | 0 | 0 | 117.5 | F914 | F914-E916 HydrophobicContact CD1-CG 4.36Å; F914-E916 HydrophobicContact CE1-CG 4.42Å |
| 917 | S | 32 | Very low | 34.3 | Very low | 111 Ų | 111 | 138 Ų | 138 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | | | trans | -161.5 | 122.4 | 141.6 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 918 | E | 32.2 | Very low | 34.5 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | | | | 64 | 109 | 61 | -62.6 | -139.2 | 117 | 0 | 0 | 111.5 | | |
| 919 | H | 33 | Very low | 34.4 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | | 168 | -173.9 | 60 | -102.5 | -4.6 | 0 | 0 | 0 | 108.5 | | |
| 920 | P | 38.1 | Very low | 34.3 | Very low | 100 Ų | 100 | 135.1 Ų | 135.1 | 65% | 0.649 | 75% | 0.746 | S | S | * | * | | | | -141.7 | -169.2 | -54.9 | 42.2 | -22.7 | 0 | 0 | 0 | 115 | | |
| 921 | I | 29.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | 95.1 | 112.8 | 154.3 | -64.9 | 160.8 | 0 | 0 | 0 | 121.3 | | |
| 922 | S | 28.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | 61 | 128.7 | 143.9 | -169.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 923 | G | 34 | Very low | 33.6 | Very low | 61 Ų | 61 | 150 Ų | 150 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | cis | 160.6 | 176.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 924 | F | 31 | Very low | 33.7 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | | | trans | 70.5 | 100.5 | 175.2 | -63.9 | -85.5 | 0 | 0 | 0 | 116.3 | | |
| 925 | T | 30.8 | Very low | 34 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | | 76.6 | 132.8 | 71.8 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 926 | T | 32.4 | Very low | 34.4 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | cis | -166.1 | 164.4 | -10.9 | -49.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 927 | Q | 38.7 | Very low | 34.5 | Very low | 180 Ų | 180 | 145.7 Ų | 145.7 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | 73.4 | 113.3 | 166.2 | -52.5 | -173 | -35.4 | 0 | 0 | 114.8 | | |
| 928 | N | 32.9 | Very low | 35.3 | Very low | 159 Ų | 159 | 147.3 Ų | 147.3 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | | | cis | 83.8 | 121.9 | 18.5 | -150 | 10.7 | 0 | 0 | 0 | 117 | | |
| 929 | S | 35.7 | Very low | 35.8 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | trans | 84 | 111 | 158.8 | -126.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 930 | S | 34.4 | Very low | 36.6 | Very low | 104 Ų | 104 | 148.2 Ų | 148.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | 63.6 | 86.9 | 125 | -54.8 | 0 | 0 | 0 | 0 | 120.7 | R932 | S930-R932 PolarHBondContact O-N 3.41Š|
| 931 | R | 34.9 | Very low | 37.2 | Very low | 255 Ų | 255 | 150.5 Ų | 150.5 | 96% | 0.962 | 78% | 0.775 | S | S | * | * | | | trans | -67.6 | 91.2 | 156.9 | -88.4 | -179.1 | 155.3 | -172 | -7.4 | 111.5 | | |
| 932 | R | 33.8 | Very low | 37.7 | Very low | 213 Ų | 213 | 150.8 Ų | 150.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -72.8 | 122.5 | 158.3 | -165.7 | -176.4 | -61.8 | -177.9 | 2 | 107.7 | S930 V934 | S930-R932 PolarHBondContact O-N 3.41Å; R932-V934 PolarHBondContact O-N 3.15Å |
| 933 | R | 40.3 | Very low | 38.5 | Very low | 244 Ų | 244 | 154.5 Ų | 154.5 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 102.2 | 177.1 | -74.4 | -170.9 | -72.8 | -172.4 | -2.8 | 109.5 | | |
| 934 | V | 37.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 160 Ų | 160 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | | | trans | -93.8 | 119 | 164.5 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | R932 V936 | R932-V934 PolarHBondContact O-N 3.15Å; V934-V936 HydrophobicContact CG1-CG2 4.12Å; V934-V936 PolarHBondContact O-N 2.92Å |
| 935 | L | 39.9 | Very low | 39.2 | Very low | 155 Ų | 155 | 159.1 Ų | 159.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -79 | 111.1 | 163.7 | -71.4 | 173 | 0 | 0 | 0 | 107 | | |
| 936 | V | 39.8 | Very low | 39.3 | Very low | 96 Ų | 96 | 157.5 Ų | 157.5 | 58% | 0.582 | 80% | 0.797 | S | S | * | * | | | trans | -86.1 | 129.1 | 168.3 | -178.3 | 0 | 0 | 0 | 0 | 106.9 | V934 D938 | V934-V936 HydrophobicContact CG1-CG2 4.12Å; V934-V936 PolarHBondContact O-N 2.92Å; V936-D938 VanDerWaalsContact CG1-OD1 3.3Å; V936-D938 WeakPolarHBondContact CG1-OD1 3.47Å |
| 937 | F | 35.5 | Very low | 39.7 | Very low | 181 Ų | 181 | 158.3 Ų | 158.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -90.3 | 114.1 | 161.6 | -65.4 | -90.8 | 0 | 0 | 0 | 106.3 | | |
| 938 | D | 49.6 | Very low | 39.6 | Very low | 144 Ų | 144 | 159.1 Ų | 159.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -93.7 | 106 | 174.9 | -71.5 | -46.5 | 0 | 0 | 0 | 108.8 | V936 E940 | V936-D938 VanDerWaalsContact CG1-OD1 3.3Å; V936-D938 WeakPolarHBondContact CG1-OD1 3.47Å; D938-E940 PolarHBondContact O-N 3.4Å |
| 939 | D | 41 | Very low | 39.9 | Very low | 158 Ų | 158 | 160.5 Ų | 160.5 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | -89.3 | 81.8 | 175.8 | -74.2 | -51 | 0 | 0 | 0 | 110.9 | | |
| 940 | E | 50.1 | Low | 40 | Very low | 173 Ų | 173 | 164.8 Ų | 164.8 | 81% | 0.808 | 81% | 0.806 | S | S | * | * | | | trans | -144.8 | 138.6 | 170.5 | -70.5 | -171.7 | 177.8 | 0 | 0 | 109.4 | D938 | D938-E940 PolarHBondContact O-N 3.4Š|
| 941 | D | 50.5 | Low | 40.2 | Very low | 148 Ų | 148 | 168.3 Ų | 168.3 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | | | cis | -158.6 | 163.6 | -10 | -131.9 | -22.9 | 0 | 0 | 0 | 110.1 | | |
| 942 | D | 39.4 | Very low | 40.1 | Very low | 162 Ų | 162 | 161.4 Ų | 161.4 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | -77.7 | 123.1 | 174.8 | -95.9 | -49.1 | 0 | 0 | 0 | 111.6 | | |
| 943 | E | 45.5 | Very low | 40 | Very low | 186 Ų | 186 | 158.4 Ų | 158.4 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -133.4 | 129.3 | 164.6 | -86.9 | -71.1 | -168.3 | 0 | 0 | 112.3 | | |
| 944 | E | 38.5 | Very low | 39.5 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -90.8 | 139.8 | 179 | -67.4 | -167.1 | 115.9 | 0 | 0 | 111.7 | | |
| 945 | E | 41.1 | Very low | 39 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | | | | -175.3 | 127.3 | 110 | -103.6 | -158.4 | -175.8 | 0 | 0 | 112.1 | N947 | E945-N947 PolarHBondContact OE2-ND2 3.47Š|
| 946 | G | 33.7 | Very low | 38.5 | Very low | 79 Ų | 79 | 155.3 Ų | 155.3 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | trans | -105.7 | 111.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 947 | N | 40.2 | Very low | 38.1 | Very low | 133 Ų | 133 | 158.3 Ų | 158.3 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | -123.4 | 133.3 | 174.8 | -97.9 | -55.6 | 0 | 0 | 0 | 112.2 | E945 | E945-N947 PolarHBondContact OE2-ND2 3.47Š|
| 948 | K | 37.1 | Very low | 38.1 | Very low | 196 Ų | 196 | 156.2 Ų | 156.2 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | -100.4 | 138.8 | -177.1 | -54.6 | 171 | -176.9 | 178.9 | 0 | 108.7 | | |
| 949 | E | 39.1 | Very low | 37.1 | Very low | 188 Ų | 188 | 153.4 Ų | 153.4 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | | -178.4 | 148.8 | 115.2 | -100.5 | -166.1 | 131.4 | 0 | 0 | 114.4 | | |
| 950 | K | 38.1 | Very low | 36.5 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | -45.6 | 136.5 | 172.6 | -56.1 | 161.1 | -179.5 | 179.1 | 0 | 112.5 | | |
| 951 | K | 38.7 | Very low | 35.6 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | | -174.3 | 134.6 | 112.4 | -102.1 | -167 | 169.3 | -170.4 | 0 | 116.4 | | |
| 952 | D | 33.5 | Very low | 34.8 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | 34.5 | 124.6 | 133.4 | -38.1 | -18.6 | 0 | 0 | 0 | 120.3 | | |
| 953 | N | 31.2 | Very low | 34.3 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | 94.2 | 107.2 | 155.5 | -47.6 | -66.3 | 0 | 0 | 0 | 118.9 | | |
| 954 | S | 28.8 | Very low | 33.9 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | trans | 59.9 | 115.9 | 133.1 | 66.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 955 | F | 26.9 | Very low | 33.6 | Very low | 199 Ų | 199 | 148.4 Ų | 148.4 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | 75.6 | 158.6 | 139.2 | -162.6 | -118.7 | 0 | 0 | 0 | 117 | | |
| 956 | I | 30.9 | Very low | 33.4 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 73.6 | 98.4 | -178.6 | -47.8 | 178.1 | 0 | 0 | 0 | 114 | | |
| 957 | E | 31.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -57.3 | 145.2 | 155.9 | -56.2 | 165.6 | 111.6 | 0 | 0 | 110.1 | S959 | E957-S959 PolarHBondContact O-N 3.35Å; E957-S959 PolarHBondContact O-OG 2.94Å |
| 958 | P | 34.8 | Very low | 33.2 | Very low | 138 Ų | 138 | 152.9 Ų | 152.9 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | | | trans | -71.3 | 81.4 | 163.9 | 31.1 | -33.1 | 0 | 0 | 0 | 109.6 | S960 | P958-S960 PolarHBondContact O-N 2.9Š|
| 959 | S | 28.1 | Very low | 32.9 | Very low | 84 Ų | 84 | 149.3 Ų | 149.3 | 59% | 0.587 | 77% | 0.767 | S | S | * | * | | | trans | -58.7 | 130.3 | -173.3 | -43.9 | 0 | 0 | 0 | 0 | 113.2 | E957 | E957-S959 PolarHBondContact O-N 3.35Å; E957-S959 PolarHBondContact O-OG 2.94Å |
| 960 | S | 28.6 | Very low | 32.8 | Very low | 82 Ų | 82 | 146 Ų | 146 | 57% | 0.573 | 76% | 0.759 | S | S | * | * | | | trans | 34.6 | 92.7 | 145.4 | 56.1 | 0 | 0 | 0 | 0 | 117.9 | P958 I962 | P958-S960 PolarHBondContact O-N 2.9Å; S960-I962 PolarHBondContact O-N 3.19Å |
| 961 | L | 32.1 | Very low | 32.6 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 95% | 0.953 | 75% | 0.753 | S | S | * | * | | | trans | -79.5 | 52.7 | 163.5 | -148.5 | 76.4 | 0 | 0 | 0 | 112.7 | R963 | L961-R963 PolarHBondContact O-N 2.9Å; L961-R963 VanDerWaalsContact O-N 3.13Å |
| 962 | I | 33.7 | Very low | 32.6 | Very low | 131 Ų | 131 | 141.6 Ų | 141.6 | 67% | 0.672 | 76% | 0.755 | S | S | * | * | | | trans | -70.5 | 102.9 | 168 | -63.2 | 167.8 | 0 | 0 | 0 | 108.5 | S960 | S960-I962 PolarHBondContact O-N 3.19Š|
| 963 | R | 28 | Very low | 32.6 | Very low | 209 Ų | 209 | 140.8 Ų | 140.8 | 79% | 0.789 | 76% | 0.758 | S | S | * | * | | | trans | 179.2 | 146.6 | 154.8 | -107.6 | 155 | -73.8 | -164.2 | -1.9 | 110.1 | L961 | L961-R963 PolarHBondContact O-N 2.9Å; L961-R963 VanDerWaalsContact O-N 3.13Å |
| 964 | N | 37 | Very low | 32.6 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | cis | -134.6 | 116.4 | 25.4 | -65.3 | -86.1 | 0 | 0 | 0 | 113.4 | | |
| 965 | N | 31.8 | Very low | 32.9 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | trans | -85.3 | 126.8 | 156.2 | -169.4 | 3.6 | 0 | 0 | 0 | 108.4 | | |
| 966 | P | 37.4 | Very low | 33.1 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 57% | 0.565 | 75% | 0.748 | S | S | * | * | | | trans | -75.1 | 160.1 | 175.1 | 31.1 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 967 | F | 33.7 | Very low | 33.3 | Very low | 198 Ų | 198 | 138.1 Ų | 138.1 | 87% | 0.868 | 75% | 0.75 | S | S | * | * | | | trans | 69.8 | 77.9 | -178.4 | -50.6 | -76.2 | 0 | 0 | 0 | 114.3 | | |
| 968 | K | 36.1 | Very low | 33.5 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | | 84.9 | 102.4 | 55.4 | -170.4 | -170.2 | 176.3 | -173.4 | 0 | 113.7 | | |
| 969 | S | 30.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | | | trans | -97.8 | 145.6 | 175.5 | -40.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 970 | T | 37 | Very low | 33.8 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | trans | -151.1 | 101.1 | 161.1 | 46.5 | 0 | 0 | 0 | 0 | 106 | | |
| 971 | S | 34.7 | Very low | 34.3 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | | 104.6 | 147.6 | 65.1 | 59.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 972 | E | 37.8 | Very low | 34.3 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | 84.7 | 77.6 | 165.6 | -58.2 | 179.8 | -144.3 | 0 | 0 | 120.6 | | |
| 973 | S | 33.9 | Very low | 34.5 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | | 89.4 | 132.9 | 112.9 | 80.4 | 0 | 0 | 0 | 0 | 123.4 | | |
| 974 | N | 31.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | | | trans | 81 | 148 | 144.9 | -57.3 | -34.2 | 0 | 0 | 0 | 121.6 | | |
| 975 | F | 35.2 | Very low | 34.9 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 83% | 0.829 | 74% | 0.744 | S | S | * | * | | | trans | 77.4 | 103 | 169.9 | -59.3 | -76.6 | 0 | 0 | 0 | 118.8 | | |
| 976 | T | 30.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | | | | 18.8 | 139.3 | 110.3 | 60.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 977 | S | 34.1 | Very low | 35 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | cis | -178.4 | 153.7 | 40.6 | 37.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 978 | D | 37.7 | Very low | 35.5 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | | | cis | -165.2 | -172.5 | -2.9 | -123 | -95.4 | 0 | 0 | 0 | 112.1 | | |
| 979 | N | 35.4 | Very low | 35.5 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -11.5 | 148.5 | 153.3 | -80.8 | -76.6 | 0 | 0 | 0 | 119.6 | | |
| 980 | L | 33.1 | Very low | 36 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | | | | -161.4 | -177.6 | 55.2 | -127.3 | 169.7 | 0 | 0 | 0 | 113.8 | | |
| 981 | S | 38.6 | Very low | 36 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 76% | 0.755 | S | S | * | * | | | trans | -137.3 | -158.4 | -165.3 | 49.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 982 | E | 32.3 | Very low | 36.2 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | 72.1 | 130.4 | 176.9 | -82.6 | 104.9 | 141 | 0 | 0 | 117.9 | | |
| 983 | V | 38.4 | Very low | 36.1 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 62% | 0.624 | 76% | 0.755 | S | S | * | * | | | cis | 84.5 | 124.3 | 36.3 | 175.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 984 | F | 33.7 | Very low | 36.1 | Very low | 213 Ų | 213 | 142.1 Ų | 142.1 | 93% | 0.934 | 75% | 0.751 | S | S | * | * | | | trans | -153 | 143.6 | 148.1 | -91.1 | -66.7 | 0 | 0 | 0 | 111.6 | | |
| 985 | H | 38.4 | Very low | 36.4 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -100.9 | 165.6 | 166.6 | -56.5 | -98.4 | 0 | 0 | 0 | 109.8 | | |
| 986 | T | 33.2 | Very low | 36.3 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | | -164.1 | 147.1 | 127.1 | 23.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 987 | D | 38 | Very low | 36.7 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | -74.8 | 166 | 173 | -35.6 | -103.6 | 0 | 0 | 0 | 112.1 | | |
| 988 | D | 44.5 | Very low | 36.7 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 93% | 0.925 | 76% | 0.757 | S | S | * | * | | | trans | -155.9 | 148.2 | 132.2 | -117 | -28.1 | 0 | 0 | 0 | 110.5 | | |
| 989 | N | 35.6 | Very low | 37.2 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 78% | 0.775 | 76% | 0.76 | S | S | * | * | | | trans | -136.4 | 116.9 | -164.2 | 172.7 | 30 | 0 | 0 | 0 | 111.3 | | |
| 990 | V | 43.1 | Very low | 37.5 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 76% | 0.762 | S | S | * | * | | | trans | -145.5 | 117.7 | 170.7 | -87.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 991 | E | 36.6 | Very low | 38.2 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | | | | 18.3 | 141.3 | 117.9 | -63 | -177.7 | 139.5 | 0 | 0 | 117.5 | | |
| 992 | L | 37.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | cis | 161.6 | 151.8 | -10.8 | -121 | 174.7 | 0 | 0 | 0 | 104.1 | | |
| 993 | E | 37 | Very low | 39 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | 72.2 | 153.2 | 166.4 | -37 | -155.7 | 170.4 | 0 | 0 | 120.4 | | |
| 994 | D | 33.8 | Very low | 39.1 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 58% | 0.583 | 77% | 0.77 | S | S | * | * | | | trans | 90.5 | 99.1 | 144.9 | -84.3 | -4.8 | 0 | 0 | 0 | 123.4 | | |
| 995 | K | 37.3 | Very low | 39.8 | Very low | 154 Ų | 154 | 143.5 Ų | 143.5 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | | | | 83.5 | 88.4 | 124.7 | -67.1 | 170.1 | 173 | 81 | 0 | 118.7 | | |
| 996 | I | 33.8 | Very low | 39.7 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | | 36.4 | 113.5 | 110.5 | -50 | 158.4 | 0 | 0 | 0 | 116.2 | | |
| 997 | S | 38.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 142 Ų | 142 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -153.7 | 110.5 | 146.5 | 63.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 998 | T | 34.1 | Very low | 40 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -83 | 126.2 | 170.6 | -46.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 999 | V | 48.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | | | trans | -153.1 | 122.1 | 165.2 | 172.4 | 0 | 0 | 0 | 0 | 104.8 | | |
| 1000 | D | 40.8 | Very low | 40.3 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | cis | 83.1 | 93.9 | 33.2 | -166.4 | 33.9 | 0 | 0 | 0 | 114.5 | | |
| 1001 | E | 48.5 | Very low | 40.2 | Very low | 181 Ų | 181 | 138 Ų | 138 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | 177 | 126.7 | 164.6 | -102.7 | 166 | -158.6 | 0 | 0 | 104.5 | | |
| 1002 | S | 39.5 | Very low | 40.6 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | cis | 142 | 165.8 | -4.7 | 57.8 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1003 | D | 49.4 | Very low | 41 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 78.5 | 104.2 | -176.5 | -52.8 | -9.8 | 0 | 0 | 0 | 113.3 | | |
| 1004 | D | 39.3 | Very low | 41.7 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | | | | 61 | 104.9 | 64.8 | -174.4 | 21.2 | 0 | 0 | 0 | 113.4 | | |
| 1005 | H | 48.7 | Very low | 42 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | | -160.5 | 104.6 | 126.8 | -88.1 | -10.4 | 0 | 0 | 0 | 110.4 | | |
| 1006 | T | 35.3 | Very low | 42.4 | Very low | 118 Ų | 118 | 136.8 Ų | 136.8 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | | | trans | -81.3 | 128.1 | 173.5 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | E1008 | T1006-E1008 HydrophobicContact CG2-CG 4.23Š|
| 1007 | I | 42.5 | Very low | 43.1 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | | | trans | -137.6 | 105.7 | 166.4 | -48.9 | 179.5 | 0 | 0 | 0 | 109.2 | | |
| 1008 | E | 37 | Very low | 43.8 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -99.3 | 119.7 | 175.4 | -72.7 | -78.5 | -165.7 | 0 | 0 | 110.1 | T1006 | T1006-E1008 HydrophobicContact CG2-CG 4.23Š|
| 1009 | A | 45.8 | Very low | 44.7 | Very low | 99 Ų | 99 | 135 Ų | 135 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -174.6 | 123.4 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1010 | G | 39.7 | Very low | 44.7 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | | | cis | -179.3 | 163.6 | -8.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1011 | D | 40.3 | Very low | 45.2 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -78.9 | 129 | 174.5 | -64.4 | -51.9 | 0 | 0 | 0 | 111.6 | | |
| 1012 | D | 46 | Very low | 45.1 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | | | trans | -108 | 58.9 | 164.8 | -92.7 | -40.9 | 0 | 0 | 0 | 110 | A1014 | D1012-A1014 PolarHBondContact O-N 2.73Š|
| 1013 | E | 46 | Very low | 45.3 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | -70.9 | 77.4 | 172.7 | -92 | -72.6 | -171.7 | 0 | 0 | 111.2 | N1015 | E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 2.72Å; E1013-N1015 PolarHBondContact O-ND2 2.88Å |
| 1014 | A | 51.5 | Low | 45.5 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | | | trans | -67.5 | 80.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D1012 I1016 | D1012-A1014 PolarHBondContact O-N 2.73Å; A1014-I1016 PolarHBondContact O-N 2.86Å |
| 1015 | N | 39.9 | Very low | 46 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | trans | -59.3 | 95.2 | 173 | -81.4 | -108.5 | 0 | 0 | 0 | 110.1 | E1013 D1017 | E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 2.72Å; E1013-N1015 PolarHBondContact O-ND2 2.88Å; N1015-D1017 PolarHBondContact O-N 3.16Å |
| 1016 | I | 46.3 | Very low | 46 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 80% | 0.795 | 76% | 0.757 | S | S | * | * | | | trans | -84.6 | 107.3 | 169.3 | -64.7 | 177.4 | 0 | 0 | 0 | 107.8 | A1014 | A1014-I1016 PolarHBondContact O-N 2.86Š|
| 1017 | D | 47.6 | Very low | 46.4 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 60% | 0.599 | 76% | 0.755 | S | S | * | * | | | trans | -57.7 | 123.6 | 172.5 | -168.7 | -24.7 | 0 | 0 | 0 | 110.2 | N1015 D1019 | N1015-D1017 PolarHBondContact O-N 3.16Å; D1017-D1019 VanDerWaalsContact C-N 3.27Å; D1017-D1019 PolarHBondContact O-N 2.98Å; D1017-D1019 PolarHBondContact OD1-N 3Å |
| 1018 | P | 54.3 | Low | 46.3 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -10.2 | 179.6 | 31.9 | -36.3 | 0 | 0 | 0 | 114.1 | | |
| 1019 | D | 51.3 | Low | 46.6 | Very low | 140 Ų | 140 | 127.7 Ų | 127.7 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 4.3 | -165.3 | -72.2 | -34.3 | 0 | 0 | 0 | 115.6 | D1017 | D1017-D1019 VanDerWaalsContact C-N 3.27Å; D1017-D1019 PolarHBondContact O-N 2.98Å; D1017-D1019 PolarHBondContact OD1-N 3Å |
| 1020 | D | 49 | Very low | 46.5 | Very low | 125 Ų | 125 | 128.6 Ų | 128.6 | 67% | 0.668 | 74% | 0.736 | S | S | * | * | | | trans | -126.8 | 70 | 178.5 | -164 | 17.1 | 0 | 0 | 0 | 115.4 | | |
| 1021 | I | 51 | Low | 46.8 | Very low | 176 Ų | 176 | 131.8 Ų | 131.8 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | | | trans | -142.1 | 86.1 | 141.8 | 22.2 | 172.2 | 0 | 0 | 0 | 109.9 | | |
| 1022 | T | 46.4 | Very low | 46.8 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | | | trans | -77 | 152.4 | 171.2 | 53 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1023 | D | 43.2 | Very low | 46.4 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | | | trans | 65.6 | 132.3 | 160.9 | -51 | -27.2 | 0 | 0 | 0 | 116.1 | | |
| 1024 | E | 55.2 | Low | 46 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | | | cis | -147.9 | 164.5 | 24.4 | -66.3 | -179.1 | 131.4 | 0 | 0 | 112.4 | | |
| 1025 | D | 48.6 | Very low | 45.6 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | | | trans | 60.1 | 149.8 | 160.4 | -85.8 | -8.5 | 0 | 0 | 0 | 120.8 | | |
| 1026 | N | 48.4 | Very low | 45.4 | Very low | 142 Ų | 142 | 114.5 Ų | 114.5 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | | | cis | -175.8 | 162.8 | -41.7 | -121.8 | -50.4 | 0 | 0 | 0 | 108 | | |
| 1027 | G | 43.9 | Very low | 45.1 | Very low | 65 Ų | 65 | 112 Ų | 112 | 67% | 0.67 | 63% | 0.633 | S | S | * | * | | | trans | 96.9 | 87.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1028 | S | 40.1 | Very low | 44.7 | Very low | 100 Ų | 100 | 111.4 Ų | 111.4 | 70% | 0.699 | 63% | 0.627 | S | S | * | * | | | cis | 53.9 | 127.7 | 42.3 | -74.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1029 | D | 43.4 | Very low | 43.9 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | | | cis | -125.3 | 155.9 | 16.9 | -72.6 | -59 | 0 | 0 | 0 | 111.4 | | |
| 1030 | N | 45.3 | Very low | 43.3 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | | | | 58.8 | 135 | 61.4 | -126.1 | 33.2 | 0 | 0 | 0 | 111.1 | | |
| 1031 | E | 44.2 | Very low | 42.7 | Very low | 141 Ų | 141 | 111.9 Ų | 111.9 | 66% | 0.659 | 61% | 0.608 | S | S | * | * | | | cis | -122.3 | 154.3 | 23.1 | -53.7 | -62.7 | 146 | 0 | 0 | 110.8 | | |
| 1032 | S | 41 | Very low | 42 | Very low | 89 Ų | 89 | 109.5 Ų | 109.5 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | | | | 50.1 | 107.3 | 70.2 | -96.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1033 | S | 38.5 | Very low | 41.5 | Very low | 81 Ų | 81 | 111.1 Ų | 111.1 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | | | cis | 98.3 | 158.8 | 49.8 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1034 | E | 37.7 | Very low | 41.1 | Very low | 119 Ų | 119 | 109.2 Ų | 109.2 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | | | trans | 71 | 160.1 | 167 | -38.1 | -155.7 | 156.8 | 0 | 0 | 120.6 | K332 | K332-E1034 HydrophobicContact CB-CB 4Å; K332-E1034 HydrophobicContact CB-CG 3.7Å; K332-E1034 WeakPolarHBondContact CB-OE1 3.34Å; K332-E1034 HydrophobicContact CD-CB 4.12Å; K332-E1034 WeakPolarHBondContact CD-OE2 3.38Å; K332-E1034 HydrophobicContact CG-CB 4.26Å; K332-E1034 HydrophobicContact CG-CG 4.48Å |
| 1035 | G | 43.1 | Very low | 40.5 | Very low | 27 Ų | 27 | 107.3 Ų | 107.3 | 28% | 0.278 | 60% | 0.595 | S | S | . | * | | | trans | 97 | 80.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | K297 | K297-G1035 CarbonylContact O-C 3.53Š|
| 1036 | D | 35.2 | Very low | 40.4 | Very low | 30 Ų | 30 | 108.7 Ų | 108.7 | 16% | 0.16 | 60% | 0.597 | C | S | . | * | | | | 46.3 | 123.6 | 67.4 | -76.9 | -59.7 | 0 | 0 | 0 | 112.1 | K297 V299 R300 K332 | K297-D1036 PolarHBondContact O-N 3.27Å; V299-D1036 WeakPolarHBondContact CA-OD1 3.23Å; V299-D1036 HydrophobicContact CB-CB 4.24Å; V299-D1036 WeakPolarHBondContact CB-OD1 3.45Å; V299-D1036 WeakPolarHBondContact CB-OD2 3.42Å; V299-D1036 WeakPolarHBondContact CG1-OD1 3.32Å; V299-D1036 WeakPolarHBondContact CG1-OD2 3.5Å; R300-D1036 PolarHBondContact N-OD1 2.88Å; K332-D1036 VanDerWaalsContact CE-CG 3.41Å; K332-D1036 WeakPolarHBondContact CE-OD2 3.14Å; K332-D1036 WeakPolarHBondContact CG-OD2 3.45Å; K332-D1036 IonicContact NZ-OD2 2.75Å |
| 1037 | E | 40.1 | Very low | 39.9 | Very low | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | | | cis | -156.8 | 170 | 21.1 | -109.7 | 152.1 | -98.7 | 0 | 0 | 111.7 | | |
| 1038 | E | 39.2 | Very low | 39.9 | Very low | 101 Ų | 101 | 108.7 Ų | 108.7 | 47% | 0.472 | 58% | 0.579 | S | S | . | * | | | trans | 15.8 | 153.3 | 137.5 | -60.6 | -165.8 | 176.2 | 0 | 0 | 122 | G301 | G301-E1038 WeakPolarHBondContact CA-OE1 3.31Å; G301-E1038 PolarHBondContact N-OE1 3.39Å |
| 1039 | E | 37.3 | Very low | 40.3 | Very low | 101 Ų | 101 | 107 Ų | 107 | 47% | 0.472 | 56% | 0.562 | S | S | . | * | | | cis | -159.1 | -169.3 | -6.9 | -121.7 | -148.7 | 147.8 | 0 | 0 | 108.9 | R578 | R578-E1039 IonicContact CZ-OE1 3.9Å; R578-E1039 IonicContact NH1-OE1 2.92Å; R578-E1039 PolarHBondContact NH1-OE1 3.25Å; R578-E1039 IonicContact NH2-OE1 3.27Å; R578-E1039 PolarHBondContact NH2-OE1 3.15Å |
| 1040 | E | 38.1 | Very low | 40.6 | Very low | 135 Ų | 135 | 106.6 Ų | 106.6 | 63% | 0.631 | 56% | 0.56 | S | S | * | * | | | trans | 25 | 136.5 | 154.5 | -66.8 | -163.4 | 152.7 | 0 | 0 | 120.2 | | |
| 1041 | K | 37.7 | Very low | 41 | Very low | 154 Ų | 154 | 108 Ų | 108 | 67% | 0.67 | 56% | 0.563 | S | S | * | * | | | | -179.9 | 168.4 | 66.4 | -147.5 | 176.1 | -141.4 | 72.4 | 0 | 112.8 | | |
| 1042 | D | 36.3 | Very low | 41.5 | Very low | 127 Ų | 127 | 105.7 Ų | 105.7 | 68% | 0.679 | 55% | 0.552 | S | S | * | * | | | trans | 60.1 | 94.2 | 168.5 | -74.1 | -19.4 | 0 | 0 | 0 | 115.8 | | |
| 1043 | N | 34.1 | Very low | 42.2 | Very low | 131 Ų | 131 | 106.8 Ų | 106.8 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | | | | 76.9 | 141.1 | 61.2 | -67.3 | -50.1 | 0 | 0 | 0 | 114.3 | | |
| 1044 | S | 36.3 | Very low | 43.1 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 78% | 0.776 | 55% | 0.547 | S | S | * | . | | | trans | 72.2 | 145.3 | 145.1 | 60.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1045 | L | 42.5 | Very low | 44 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | | | cis | -174.8 | -166.5 | -20.6 | -167 | 55.7 | 0 | 0 | 0 | 105.4 | D1047 | L1045-D1047 WeakPolarHBondContact CG-OD2 3.42Š|
| 1046 | E | 46 | Very low | 44.6 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | | | trans | 73.5 | 73.6 | 157.7 | -66.5 | 162.6 | -128.3 | 0 | 0 | 111.1 | | |
| 1047 | D | 38.3 | Very low | 45.3 | Very low | 108 Ų | 108 | 117.3 Ų | 117.3 | 58% | 0.578 | 58% | 0.579 | S | S | * | * | | | | 67.1 | 112.2 | 61.2 | -40.6 | -40.2 | 0 | 0 | 0 | 111.7 | L1045 | L1045-D1047 WeakPolarHBondContact CG-OD2 3.42Š|
| 1048 | E | 43.9 | Very low | 45.7 | Very low | 99 Ų | 99 | 116.8 Ų | 116.8 | 46% | 0.463 | 58% | 0.583 | S | S | . | * | | | trans | -175.3 | 81.8 | 162.1 | -114.1 | -179.1 | -131.5 | 0 | 0 | 110.2 | P1217 M1218 K1219 | E1048-P1217 WeakPolarHBondContact O-CB 3.48Å; E1048-M1218 HydrophobicContact CB-CE 3.71Å; E1048-M1218 HydrophobicContact CB-SD 4.16Å; E1048-M1218 HydrophobicContact CG-CE 4.4Å; E1048-K1219 PolarHBondContact OE2-N 3.01Å |
| 1049 | D | 48.1 | Very low | 46.1 | Very low | 64 Ų | 64 | 117 Ų | 117 | 34% | 0.342 | 59% | 0.586 | S | S | . | * | | | trans | -168.6 | 12.5 | 142 | -111.3 | -0.8 | 0 | 0 | 0 | 114.9 | E1051 E1052 P1217 K1219 | D1049-E1051 PolarHBondContact O-N 2.9Å; D1049-E1052 PolarHBondContact O-N 2.77Å; D1049-E1052 VanDerWaalsContact O-N 3.09Å; D1049-P1217 HydrophobicContact CB-CB 4.17Å; D1049-P1217 VanDerWaalsContact OD2-CB 3.24Å; D1049-P1217 WeakPolarHBondContact OD2-CB 3.25Å; D1049-K1219 IonicContact OD1-NZ 2.72Å; D1049-K1219 PolarHBondContact OD1-NZ 3.44Å; D1049-K1219 IonicContact OD2-NZ 2.67Å |
| 1050 | D | 49.2 | Very low | 46.3 | Very low | 126 Ų | 126 | 115.4 Ų | 115.4 | 67% | 0.674 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -16.9 | 170.2 | -65.1 | -26.9 | 0 | 0 | 0 | 113.8 | I1054 | D1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; D1050-I1054 WeakPolarHBondContact O-CG1 3.46Å |
| 1051 | E | 54 | Low | 46.5 | Very low | 148 Ų | 148 | 113.2 Ų | 113.2 | 69% | 0.692 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.9 | -22.6 | 177.8 | -60.7 | -159.1 | 158.2 | 0 | 0 | 114.1 | D1049 Q1055 | D1049-E1051 PolarHBondContact O-N 2.9Å; E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.22Å; E1051-Q1055 PolarHBondContact O-N 2.78Å; E1051-Q1055 PolarHBondContact O-NE2 2.79Å |
| 1052 | E | 55 | Low | 46.4 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -87.6 | -17.3 | -177.4 | -66.4 | -160.5 | -175.9 | 0 | 0 | 114.1 | D1049 R1056 K1219 | D1049-E1052 PolarHBondContact O-N 2.77Å; D1049-E1052 VanDerWaalsContact O-N 3.09Å; E1052-R1056 PolarHBondContact O-NH1 3.37Å; E1052-K1219 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1219 IonicContact OE1-NZ 2.67Å; E1052-K1219 PolarHBondContact OE1-NZ 2.96Å |
| 1053 | E | 55.2 | Low | 46.7 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 52% | 0.523 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -75.9 | -46.9 | 169.3 | -166.6 | 84.2 | -117.7 | 0 | 0 | 110.5 | Q1055 R1056 | E1053-Q1055 VanDerWaalsContact C-N 3.27Å; E1053-Q1055 PolarHBondContact O-N 3.04Å; E1053-R1056 PolarHBondContact O-N 3.05Å; E1053-R1056 IonicContact OE1-CZ 3.91Å; E1053-R1056 IonicContact OE1-NE 2.66Å; E1053-R1056 IonicContact OE1-NH2 2.96Å; E1053-R1056 PolarHBondContact OE1-NH2 3.16Å; E1053-R1056 IonicContact OE2-NH2 3.5Å; E1053-R1056 PolarHBondContact OE2-NH2 3.04Å |
| 1054 | I | 57.9 | Low | 47.1 | Very low | 109 Ų | 109 | 113.6 Ų | 113.6 | 56% | 0.559 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64 | -32.6 | -177.5 | -61.8 | 171.4 | 0 | 0 | 0 | 111.6 | D1050 T1058 | D1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; D1050-I1054 WeakPolarHBondContact O-CG1 3.46Å; I1054-T1058 PolarHBondContact O-N 3.03Å; I1054-T1058 PolarHBondContact O-OG1 3.39Å |
| 1055 | Q | 57.4 | Low | 47.6 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 53% | 0.533 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.7 | -34.6 | 177.5 | -76.6 | 175.2 | 82.1 | 0 | 0 | 113.1 | E1051 E1053 T1058 | E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.22Å; E1051-Q1055 PolarHBondContact O-N 2.78Å; E1051-Q1055 PolarHBondContact O-NE2 2.79Å; E1053-Q1055 VanDerWaalsContact C-N 3.27Å; E1053-Q1055 PolarHBondContact O-N 3.04Å; Q1055-T1058 PolarHBondContact O-N 3.18Å |
| 1056 | R | 53.8 | Low | 48.1 | Very low | 130 Ų | 130 | 120.3 Ų | 120.3 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.4 | -47.6 | 175.5 | -67.4 | -171.6 | -64.8 | -96.6 | 21 | 111.7 | E1052 E1053 T1058 I1059 | E1052-R1056 PolarHBondContact O-NH1 3.37Å; E1053-R1056 PolarHBondContact O-N 3.05Å; E1053-R1056 IonicContact OE1-CZ 3.91Å; E1053-R1056 IonicContact OE1-NE 2.66Å; E1053-R1056 IonicContact OE1-NH2 2.96Å; E1053-R1056 PolarHBondContact OE1-NH2 3.16Å; E1053-R1056 IonicContact OE2-NH2 3.5Å; E1053-R1056 PolarHBondContact OE2-NH2 3.04Å; R1056-T1058 PolarHBondContact O-N 3.35Å; R1056-I1059 PolarHBondContact O-N 2.81Å |
| 1057 | L | 51.1 | Low | 47.7 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 65% | 0.649 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.2 | -16.7 | -179.9 | -66.7 | 171.6 | 0 | 0 | 0 | 114 | | |
| 1058 | T | 49.1 | Very low | 48.3 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -81.7 | -32 | -178.3 | -61.2 | 0 | 0 | 0 | 0 | 112.6 | I1054 Q1055 R1056 S1061 | I1054-T1058 PolarHBondContact O-N 3.03Å; I1054-T1058 PolarHBondContact O-OG1 3.39Å; Q1055-T1058 PolarHBondContact O-N 3.18Å; R1056-T1058 PolarHBondContact O-N 3.35Å; T1058-S1061 PolarHBondContact O-OG 2.84Å; T1058-S1061 VanDerWaalsContact O-OG 3.1Å |
| 1059 | I | 47.6 | Very low | 48.9 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 53% | 0.533 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -86 | -31.7 | -165.8 | -65.4 | 172.7 | 0 | 0 | 0 | 113.3 | R1056 S1061 | R1056-I1059 PolarHBondContact O-N 2.81Å; I1059-S1061 PolarHBondContact O-N 3.32Å |
| 1060 | Q | 41.5 | Very low | 48.8 | Very low | 68 Ų | 68 | 134.4 Ų | 134.4 | 32% | 0.318 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.7 | -16.2 | -177.4 | -58.7 | -177.8 | -25 | 0 | 0 | 114.9 | D465 E466 V467 N1062 | D465-Q1060 PolarHBondContact O-NE2 3.44Å; D465-Q1060 VanDerWaalsContact O-NE2 3.08Å; E466-Q1060 VanDerWaalsContact O-CD 3.25Å; E466-Q1060 PolarHBondContact O-NE2 2.91Å; V467-Q1060 HydrophobicContact CG2-CB 3.89Å; V467-Q1060 HydrophobicContact CG2-CG 3.86Å; V467-Q1060 WeakPolarHBondContact O-CG 3.47Å; V467-Q1060 PolarHBondContact O-NE2 2.99Å; Q1060-N1062 PolarHBondContact O-N 3.34Å |
| 1061 | S | 40.9 | Very low | 48.9 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 9.6 | -160.5 | 61.6 | 0 | 0 | 0 | 0 | 117.2 | T1058 I1059 | T1058-S1061 PolarHBondContact O-OG 2.84Å; T1058-S1061 VanDerWaalsContact O-OG 3.1Å; I1059-S1061 PolarHBondContact O-N 3.32Å |
| 1062 | N | 37 | Very low | 49.1 | Very low | 100 Ų | 100 | 135.4 Ų | 135.4 | 54% | 0.535 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -142.6 | 158 | -177.2 | -72.3 | -82.5 | 0 | 0 | 0 | 114.9 | Q1060 | Q1060-N1062 PolarHBondContact O-N 3.34Š|
| 1063 | E | 41.1 | Very low | 49.3 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 78% | 0.776 | 65% | 0.654 | S | S | * | * | | | trans | 92.8 | 7.5 | 159.7 | -59.5 | -82.5 | 122.3 | 0 | 0 | 123.1 | | |
| 1064 | I | 42.1 | Very low | 49.6 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 65% | 0.649 | S | S | * | * | | | trans | -108.2 | 70.6 | 163.6 | -45.5 | -173.7 | 0 | 0 | 0 | 113.9 | | |
| 1065 | K | 46.9 | Very low | 49.4 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | | | trans | -97.2 | 92.6 | 169.2 | -71.9 | 167.3 | -176.4 | 148.6 | 0 | 111.6 | | |
| 1066 | K | 53 | Low | 49.5 | Very low | 197 Ų | 197 | 132.3 Ų | 132.3 | 86% | 0.857 | 64% | 0.641 | S | S | * | * | | | trans | -150.2 | 93.2 | 163.6 | -98 | 128.8 | -174.1 | 175.2 | 0 | 112.7 | K1068 | K1066-K1068 PolarHBondContact O-N 3.18Š|
| 1067 | T | 39.3 | Very low | 49.8 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 85% | 0.853 | 65% | 0.645 | S | S | * | * | | | trans | -34.3 | 110.6 | 173.6 | 55 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1068 | K | 50.5 | Low | 50.1 | Low | 204 Ų | 204 | 132.1 Ų | 132.1 | 89% | 0.887 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 148.3 | 145.5 | -117.7 | 174.2 | -178.6 | 176.8 | 0 | 108.1 | K1066 | K1066-K1068 PolarHBondContact O-N 3.18Š|
| 1069 | K | 56 | Low | 50.5 | Low | 190 Ų | 190 | 135.5 Ų | 135.5 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 117.5 | -164 | -61.1 | 171.5 | -175.5 | 174.4 | 0 | 109.4 | R1071 | K1069-R1071 PolarHBondContact O-N 2.9Š|
| 1070 | F | 46.4 | Very low | 51.1 | Low | 183 Ų | 183 | 133.2 Ų | 133.2 | 80% | 0.803 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 122.5 | 157.5 | -67.7 | -91.9 | 0 | 0 | 0 | 108.1 | F1075 | F1070-F1075 AromaticContact CD1-CE2 3.88Å; F1070-F1075 HydrophobicContact CD1-CE2 3.88Å; F1070-F1075 AromaticContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CE1-CZ 4.44Å |
| 1071 | R | 50.8 | Low | 51.6 | Low | 168 Ų | 168 | 138.4 Ų | 138.4 | 63% | 0.634 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 116.5 | 169.4 | -78.1 | 175.1 | 170 | 179.1 | -2.6 | 106.6 | K1069 N1073 D1074 F1075 | K1069-R1071 PolarHBondContact O-N 2.9Å; R1071-N1073 PolarHBondContact O-N 2.92Å; R1071-D1074 HydrophobicContact CB-CB 4.16Å; R1071-D1074 VanDerWaalsContact CB-CG 3.43Å; R1071-D1074 VanDerWaalsContact CB-OD1 3.25Å; R1071-D1074 WeakPolarHBondContact CB-OD1 3.38Å; R1071-D1074 WeakPolarHBondContact CD-OD1 3.46Å; R1071-D1074 VanDerWaalsContact CD-OD2 3.23Å; R1071-D1074 WeakPolarHBondContact CD-OD2 3.11Å; R1071-D1074 IonicContact NH1-OD1 3.49Å; R1071-D1074 IonicContact NH1-OD2 3.44Å; R1071-D1074 PolarHBondContact O-N 3.41Å; R1071-D1074 VanDerWaalsContact O-N 3.07Å; R1071-F1075 WeakPolarHBondContact O-CD2 3.34Å |
| 1072 | I | 59.2 | Low | 52.2 | Low | 128 Ų | 128 | 142.2 Ų | 142.2 | 66% | 0.656 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -59.6 | -29.9 | 177.9 | -155.4 | 72.6 | 0 | 0 | 0 | 111.5 | D1074 F1075 V1076 | I1072-D1074 VanDerWaalsContact C-N 3.35Å; I1072-D1074 PolarHBondContact O-N 2.84Å; I1072-F1075 PolarHBondContact O-N 3.43Å; I1072-V1076 VanDerWaalsContact O-CG2 3.31Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.44Å; I1072-V1076 PolarHBondContact O-N 3.43Å |
| 1073 | N | 58.8 | Low | 52.9 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 54% | 0.54 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -58.8 | -40.6 | 173.7 | -71.8 | 86.9 | 0 | 0 | 0 | 113.7 | R1071 F1075 V1076 D1077 | R1071-N1073 PolarHBondContact O-N 2.92Å; N1073-F1075 PolarHBondContact O-N 3.38Å; N1073-F1075 VanDerWaalsContact O-N 3.16Å; N1073-V1076 PolarHBondContact O-N 2.98Å; N1073-V1076 VanDerWaalsContact O-N 3.1Å; N1073-D1077 PolarHBondContact O-N 3.46Å; N1073-D1077 VanDerWaalsContact O-N 3.13Å |
| 1074 | D | 60.4 | Low | 53 | Low | 78 Ų | 78 | 138.3 Ų | 138.3 | 42% | 0.417 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -67.8 | -17.5 | -176.6 | -55.3 | 10.9 | 0 | 0 | 0 | 110.8 | R1071 I1072 | R1071-D1074 HydrophobicContact CB-CB 4.16Å; R1071-D1074 VanDerWaalsContact CB-CG 3.43Å; R1071-D1074 VanDerWaalsContact CB-OD1 3.25Å; R1071-D1074 WeakPolarHBondContact CB-OD1 3.38Å; R1071-D1074 WeakPolarHBondContact CD-OD1 3.46Å; R1071-D1074 VanDerWaalsContact CD-OD2 3.23Å; R1071-D1074 WeakPolarHBondContact CD-OD2 3.11Å; R1071-D1074 IonicContact NH1-OD1 3.49Å; R1071-D1074 IonicContact NH1-OD2 3.44Å; R1071-D1074 PolarHBondContact O-N 3.41Å; R1071-D1074 VanDerWaalsContact O-N 3.07Å; I1072-D1074 VanDerWaalsContact C-N 3.35Å; I1072-D1074 PolarHBondContact O-N 2.84Å |
| 1075 | F | 54.2 | Low | 53.1 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 47% | 0.469 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -98.9 | -22 | 171.9 | -62.9 | -87.4 | 0 | 0 | 0 | 114 | F1070 R1071 I1072 N1073 E1079 | F1070-F1075 AromaticContact CD1-CE2 3.88Å; F1070-F1075 HydrophobicContact CD1-CE2 3.88Å; F1070-F1075 AromaticContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CE1-CZ 4.44Å; R1071-F1075 WeakPolarHBondContact O-CD2 3.34Å; I1072-F1075 PolarHBondContact O-N 3.43Å; N1073-F1075 PolarHBondContact O-N 3.38Å; N1073-F1075 VanDerWaalsContact O-N 3.16Å; F1075-E1079 VanDerWaalsContact O-CB 3.32Å; F1075-E1079 WeakPolarHBondContact O-CB 3.42Å; F1075-E1079 PolarHBondContact O-N 2.88Å; F1075-E1079 VanDerWaalsContact O-N 3.07Å |
| 1076 | V | 60.8 | Low | 53.6 | Low | 76 Ų | 76 | 136.2 Ų | 136.2 | 46% | 0.461 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -79.3 | -29.7 | 179.9 | 164.6 | 0 | 0 | 0 | 0 | 111.6 | I1072 N1073 A1080 | I1072-V1076 VanDerWaalsContact O-CG2 3.31Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.44Å; I1072-V1076 PolarHBondContact O-N 3.43Å; N1073-V1076 PolarHBondContact O-N 2.98Å; N1073-V1076 VanDerWaalsContact O-N 3.1Å; V1076-A1080 WeakPolarHBondContact O-CB 3.47Å; V1076-A1080 PolarHBondContact O-N 2.96Å |
| 1077 | D | 58.5 | Low | 53.6 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -36.5 | 175 | -62.7 | -16.3 | 0 | 0 | 0 | 110.5 | N1073 A1080 | N1073-D1077 PolarHBondContact O-N 3.46Å; N1073-D1077 VanDerWaalsContact O-N 3.13Å; D1077-A1080 PolarHBondContact O-N 3.42Å |
| 1078 | E | 57.4 | Low | 54.3 | Low | 145 Ų | 145 | 133.4 Ų | 133.4 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -33.3 | 174.7 | -70.9 | 179.3 | 173.5 | 0 | 0 | 113.5 | A1080 | E1078-A1080 PolarHBondContact O-N 2.74Š|
| 1079 | E | 57.7 | Low | 54.6 | Low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -14.2 | 171.7 | -168 | 172.6 | -155 | 0 | 0 | 112.4 | F1075 | F1075-E1079 VanDerWaalsContact O-CB 3.32Å; F1075-E1079 WeakPolarHBondContact O-CB 3.42Å; F1075-E1079 PolarHBondContact O-N 2.88Å; F1075-E1079 VanDerWaalsContact O-N 3.07Å |
| 1080 | A | 60.1 | Low | 54.5 | Low | 56 Ų | 56 | 127.5 Ų | 127.5 | 46% | 0.463 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | -22.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1076 D1077 E1078 L1082 S1083 | V1076-A1080 WeakPolarHBondContact O-CB 3.47Å; V1076-A1080 PolarHBondContact O-N 2.96Å; D1077-A1080 PolarHBondContact O-N 3.42Å; E1078-A1080 PolarHBondContact O-N 2.74Å; A1080-L1082 PolarHBondContact O-N 2.82Å; A1080-S1083 PolarHBondContact O-N 2.77Å |
| 1081 | E | 53.3 | Low | 55.1 | Low | 177 Ų | 177 | 127.4 Ų | 127.4 | 83% | 0.827 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -6.4 | -178.7 | -66.2 | -164.2 | 168.5 | 0 | 0 | 113.9 | | |
| 1082 | L | 52.5 | Low | 55.5 | Low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 13.1 | 172.1 | -64.1 | 179.4 | 0 | 0 | 0 | 114.2 | A1080 | A1080-L1082 PolarHBondContact O-N 2.82Š|
| 1083 | S | 52.4 | Low | 55.5 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -132.9 | 62.1 | -176.2 | 177.1 | 0 | 0 | 0 | 0 | 111.7 | A1080 | A1080-S1083 PolarHBondContact O-N 2.77Š|
| 1084 | G | 42.7 | Very low | 55.3 | Low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | | | trans | -150 | 2.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1085 | D | 44.5 | Very low | 54.9 | Low | 117 Ų | 117 | 135.4 Ų | 135.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | | | trans | -131.6 | 101.2 | 162.8 | -160.1 | -53.9 | 0 | 0 | 0 | 110.7 | N1087 E1088 | D1085-N1087 VanDerWaalsContact C-N 3.35Å; D1085-N1087 WeakPolarHBondContact OD1-CA 3.31Å; D1085-N1087 VanDerWaalsContact OD1-CB 3.28Å; D1085-N1087 WeakPolarHBondContact OD1-CB 3.42Å; D1085-N1087 PolarHBondContact OD1-N 2.84Å; D1085-E1088 PolarHBondContact OD1-N 2.86Å; D1085-E1088 VanDerWaalsContact OD1-N 3.14Å |
| 1086 | E | 56.7 | Low | 54.7 | Low | 175 Ų | 175 | 139.2 Ų | 139.2 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -93.3 | -0.8 | 175.8 | -161.3 | 171.8 | 168 | 0 | 0 | 110.9 | | |
| 1087 | N | 54.4 | Low | 54.2 | Low | 111 Ų | 111 | 143.6 Ų | 143.6 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -25.9 | -164 | -156.4 | 119.8 | 0 | 0 | 0 | 113.1 | D1085 | D1085-N1087 VanDerWaalsContact C-N 3.35Å; D1085-N1087 WeakPolarHBondContact OD1-CA 3.31Å; D1085-N1087 VanDerWaalsContact OD1-CB 3.28Å; D1085-N1087 WeakPolarHBondContact OD1-CB 3.42Å; D1085-N1087 PolarHBondContact OD1-N 2.84Å |
| 1088 | E | 53.9 | Low | 54 | Low | 165 Ų | 165 | 148.1 Ų | 148.1 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -21.8 | 168.3 | -77.8 | -165 | 154.2 | 0 | 0 | 113.2 | D1085 A1090 | D1085-E1088 PolarHBondContact OD1-N 2.86Å; D1085-E1088 VanDerWaalsContact OD1-N 3.14Å; E1088-A1090 VanDerWaalsContact C-N 3.35Å |
| 1089 | R | 56.1 | Low | 53.7 | Low | 197 Ų | 197 | 149.4 Ų | 149.4 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -74.7 | -23.1 | 176.8 | -177.9 | 170.2 | -75.3 | -123.5 | -1.8 | 113.4 | Y1091 | R1089-Y1091 PolarHBondContact O-N 3.18Š|
| 1090 | A | 54.2 | Low | 53.7 | Low | 74 Ų | 74 | 146.8 Ų | 146.8 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -76.9 | 1.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | E1088 | E1088-A1090 VanDerWaalsContact C-N 3.35Š|
| 1091 | Y | 57.9 | Low | 53.4 | Low | 180 Ų | 180 | 149.9 Ų | 149.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -101.2 | 4.3 | -175.5 | -81.9 | -76 | 0 | 0 | 0 | 115.4 | R1089 | R1089-Y1091 PolarHBondContact O-N 3.18Š|
| 1092 | F | 58.9 | Low | 53.4 | Low | 175 Ų | 175 | 147.1 Ų | 147.1 | 77% | 0.768 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -145.6 | 30.4 | -172.4 | -63.7 | -75.8 | 0 | 0 | 0 | 114.2 | | |
| 1093 | M | 59.4 | Low | 53.2 | Low | 148 Ų | 148 | 145.4 Ų | 145.4 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -144.7 | 24.8 | -169.4 | -65.9 | -91.5 | 76 | 0 | 0 | 115.1 | | |
| 1094 | D | 56 | Low | 53.3 | Low | 157 Ų | 157 | 147.9 Ų | 147.9 | 84% | 0.84 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -122.4 | 3.4 | -173.1 | -137.4 | 24.7 | 0 | 0 | 0 | 114.4 | | |
| 1095 | D | 50.8 | Low | 54 | Low | 164 Ų | 164 | 148.9 Ų | 148.9 | 88% | 0.877 | 75% | 0.751 | S | S | * | * | | | trans | -112.1 | 28.4 | -171.5 | -60.4 | -51 | 0 | 0 | 0 | 114.3 | | |
| 1096 | E | 49.8 | Very low | 54.6 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | | | trans | -126.4 | 75.1 | 178 | -81.8 | -146.5 | -133.3 | 0 | 0 | 112.8 | | |
| 1097 | D | 51.9 | Low | 54.4 | Low | 167 Ų | 167 | 146.3 Ų | 146.3 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | | | trans | -164.9 | 45.4 | 167.2 | -124.1 | -10.4 | 0 | 0 | 0 | 116.4 | | |
| 1098 | E | 53.7 | Low | 54.5 | Low | 202 Ų | 202 | 146.5 Ų | 146.5 | 94% | 0.944 | 75% | 0.753 | S | S | * | * | | | trans | -159 | 100.2 | 156.2 | -125.1 | 171.5 | -159.5 | 0 | 0 | 114 | | |
| 1099 | L | 51.6 | Low | 54.7 | Low | 171 Ų | 171 | 145.7 Ų | 145.7 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | | | trans | -140.6 | 120.2 | 169.2 | -119.3 | 164.1 | 0 | 0 | 0 | 108.8 | P1101 | L1099-P1101 WeakPolarHBondContact O-CD 3.47Š|
| 1100 | D | 56.7 | Low | 54.5 | Low | 108 Ų | 108 | 143.2 Ų | 143.2 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | | | trans | -76.2 | 119.4 | -168.9 | -167.2 | -13.2 | 0 | 0 | 0 | 111.4 | N1102 | D1100-N1102 PolarHBondContact O-N 3.17Å; D1100-N1102 PolarHBondContact OD1-ND2 2.96Å |
| 1101 | P | 53.7 | Low | 54.5 | Low | 120 Ų | 120 | 141.6 Ų | 141.6 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 42.8 | -176.3 | 35.2 | -39.5 | 0 | 0 | 0 | 113.3 | L1099 | L1099-P1101 WeakPolarHBondContact O-CD 3.47Š|
| 1102 | N | 52.6 | Low | 54.3 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | -7.7 | -175 | -70.7 | -80.4 | 0 | 0 | 0 | 116.1 | D1100 | D1100-N1102 PolarHBondContact O-N 3.17Å; D1100-N1102 PolarHBondContact OD1-ND2 2.96Å |
| 1103 | D | 49.7 | Very low | 54.1 | Low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 73% | 0.727 | S | S | * | * | | | trans | -79.8 | 132.3 | 171.7 | -75.4 | -44.3 | 0 | 0 | 0 | 111.1 | D1105 | D1103-D1105 PolarHBondContact O-N 2.75Š|
| 1104 | D | 54.6 | Low | 53.9 | Low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | | | trans | -83.5 | 7.3 | -169.1 | -89.3 | -48.8 | 0 | 0 | 0 | 113 | A1106 | D1104-A1106 PolarHBondContact O-N 3.02Š|
| 1105 | D | 56.2 | Low | 53.6 | Low | 99 Ų | 99 | 134.5 Ų | 134.5 | 53% | 0.529 | 71% | 0.714 | S | S | . | * | | | trans | -79.8 | 20.2 | -164.5 | -55.3 | -37.6 | 0 | 0 | 0 | 114.9 | D1103 N1107 E1108 | D1103-D1105 PolarHBondContact O-N 2.75Å; D1105-N1107 PolarHBondContact O-N 3.18Å; D1105-E1108 PolarHBondContact O-N 3.21Å |
| 1106 | A | 57 | Low | 53.5 | Low | 94 Ų | 94 | 136.1 Ų | 136.1 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 29.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1104 | D1104-A1106 PolarHBondContact O-N 3.02Š|
| 1107 | N | 53.5 | Low | 53.5 | Low | 144 Ų | 144 | 133.3 Ų | 133.3 | 77% | 0.77 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | -4 | 173.6 | -168.5 | 94.6 | 0 | 0 | 0 | 112.1 | D1105 | D1105-N1107 PolarHBondContact O-N 3.18Š|
| 1108 | E | 55.8 | Low | 53.5 | Low | 115 Ų | 115 | 131.7 Ų | 131.7 | 54% | 0.537 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.6 | -20.5 | 176.7 | -52.6 | -158 | 148.7 | 0 | 0 | 112.1 | D1105 F1110 A1111 D1112 | D1105-E1108 PolarHBondContact O-N 3.21Å; E1108-F1110 PolarHBondContact O-N 3.31Å; E1108-A1111 PolarHBondContact O-N 2.89Å; E1108-D1112 PolarHBondContact O-N 3.37Å |
| 1109 | E | 58.3 | Low | 53.6 | Low | 148 Ų | 148 | 126.3 Ų | 126.3 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -2.2 | 172.4 | -155.3 | -156.6 | 150.9 | 0 | 0 | 115.6 | | |
| 1110 | F | 52.2 | Low | 53.9 | Low | 145 Ų | 145 | 126 Ų | 126 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -1.2 | 173.9 | -92.5 | -89 | 0 | 0 | 0 | 114.2 | E1108 | E1108-F1110 PolarHBondContact O-N 3.31Š|
| 1111 | A | 54.4 | Low | 54 | Low | 40 Ų | 40 | 125.7 Ų | 125.7 | 33% | 0.331 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92 | -46.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | E1108 L1113 I1114 D1115 | E1108-A1111 PolarHBondContact O-N 2.89Å; A1111-L1113 PolarHBondContact O-N 2.96Å; A1111-I1114 PolarHBondContact O-N 3.38Å; A1111-D1115 PolarHBondContact O-N 3.3Å |
| 1112 | D | 53.1 | Low | 54.2 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 65% | 0.647 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -10.6 | 174.8 | -58.9 | -8.4 | 0 | 0 | 0 | 114.3 | E1108 I1114 | E1108-D1112 PolarHBondContact O-N 3.37Å; D1112-I1114 VanDerWaalsContact C-N 3.34Å |
| 1113 | L | 55.7 | Low | 54.8 | Low | 141 Ų | 141 | 121.3 Ų | 121.3 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 1 | 174.3 | -151.2 | 72.8 | 0 | 0 | 0 | 113.5 | A1111 | A1111-L1113 PolarHBondContact O-N 2.96Š|
| 1114 | I | 55.3 | Low | 55.9 | Low | 146 Ų | 146 | 118.9 Ų | 118.9 | 75% | 0.749 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | -21.2 | -178.7 | -56.6 | -175.9 | 0 | 0 | 0 | 111.9 | A1111 D1112 | A1111-I1114 PolarHBondContact O-N 3.38Å; D1112-I1114 VanDerWaalsContact C-N 3.34Å |
| 1115 | D | 48.8 | Very low | 57.1 | Low | 102 Ų | 102 | 112.9 Ų | 112.9 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -92.2 | 116 | -174.5 | -66.7 | -33.6 | 0 | 0 | 0 | 114.1 | A1111 D1117 | A1111-D1115 PolarHBondContact O-N 3.3Å; D1115-D1117 PolarHBondContact O-N 3.28Å; D1115-D1117 VanDerWaalsContact O-N 3.14Å |
| 1116 | E | 49.3 | Very low | 58.1 | Low | 199 Ų | 199 | 116.2 Ų | 116.2 | 93% | 0.93 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 50.5 | 28.3 | 150.3 | -53.5 | -159.4 | 156.8 | 0 | 0 | 122.8 | | |
| 1117 | D | 50.2 | Low | 59.3 | Low | 127 Ų | 127 | 115.5 Ų | 115.5 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | | | trans | -122.2 | 82.9 | 174.4 | -138.6 | -29.9 | 0 | 0 | 0 | 116.1 | D1115 S1119 | D1115-D1117 PolarHBondContact O-N 3.28Å; D1115-D1117 VanDerWaalsContact O-N 3.14Å; D1117-S1119 VanDerWaalsContact CG-OG 3.3Å; D1117-S1119 PolarHBondContact O-N 3.27Å; D1117-S1119 VanDerWaalsContact O-N 3.12Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.43Å; D1117-S1119 PolarHBondContact OD1-N 3.16Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å |
| 1118 | D | 50.7 | Low | 60.6 | Low | 133 Ų | 133 | 114.8 Ų | 114.8 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -74.4 | 16 | 173.2 | -114.9 | -23.3 | 0 | 0 | 0 | 113 | D1120 I1121 | D1118-D1120 VanDerWaalsContact C-N 3.32Å; D1118-D1120 PolarHBondContact O-N 2.98Å; D1118-I1121 HydrophobicContact CB-CD1 4.13Å; D1118-I1121 WeakPolarHBondContact O-CB 3.38Å; D1118-I1121 VanDerWaalsContact O-CG1 3.31Å; D1118-I1121 WeakPolarHBondContact O-CG1 3.39Å; D1118-I1121 PolarHBondContact O-N 2.83Å |
| 1119 | S | 56.4 | Low | 61.9 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -72.9 | -14.1 | -170 | 55.9 | 0 | 0 | 0 | 0 | 115.9 | D1117 I1121 | D1117-S1119 VanDerWaalsContact CG-OG 3.3Å; D1117-S1119 PolarHBondContact O-N 3.27Å; D1117-S1119 VanDerWaalsContact O-N 3.12Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.43Å; D1117-S1119 PolarHBondContact OD1-N 3.16Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å; S1119-I1121 PolarHBondContact O-N 3.4Å |
| 1120 | D | 57.5 | Low | 63 | Low | 164 Ų | 164 | 114.2 Ų | 114.2 | 88% | 0.877 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -74.1 | -10 | 172.5 | -126.5 | -2.2 | 0 | 0 | 0 | 112.4 | D1118 P1122 | D1118-D1120 VanDerWaalsContact C-N 3.32Å; D1118-D1120 PolarHBondContact O-N 2.98Å; D1120-P1122 WeakPolarHBondContact O-CD 3.5Å |
| 1121 | I | 58.5 | Low | 64.6 | Low | 103 Ų | 103 | 112.3 Ų | 112.3 | 53% | 0.528 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -62.7 | 119.5 | 164.3 | -61.7 | 174.4 | 0 | 0 | 0 | 107.6 | D1118 S1119 S1123 | D1118-I1121 HydrophobicContact CB-CD1 4.13Å; D1118-I1121 WeakPolarHBondContact O-CB 3.38Å; D1118-I1121 VanDerWaalsContact O-CG1 3.31Å; D1118-I1121 WeakPolarHBondContact O-CG1 3.39Å; D1118-I1121 PolarHBondContact O-N 2.83Å; S1119-I1121 PolarHBondContact O-N 3.4Å; I1121-S1123 PolarHBondContact O-N 3.26Å |
| 1122 | P | 59 | Low | 66 | Low | 55 Ų | 55 | 114.2 Ų | 114.2 | 36% | 0.357 | 60% | 0.596 | S | S | . | * | | | trans | -66 | 97.9 | -177.1 | 26 | -34.1 | 0 | 0 | 0 | 109.9 | D1120 R1126 L1127 | D1120-P1122 WeakPolarHBondContact O-CD 3.5Å; P1122-R1126 HydrophobicContact CB-CB 4.43Å; P1122-R1126 HydrophobicContact CB-CG 4.27Å; P1122-L1127 HydrophobicContact CG-CB 4.45Å; P1122-L1127 WeakPolarHBondContact O-CB 3.06Å |
| 1123 | S | 64.9 | Low | 67.7 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 64% | 0.643 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -27 | 132.7 | -179.5 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | I1121 G1125 R1126 L1127 | I1121-S1123 PolarHBondContact O-N 3.26Å; S1123-G1125 CarbonylContact O-C 3.53Å; S1123-G1125 PolarHBondContact O-N 2.99Å; S1123-R1126 WeakPolarHBondContact O-CA 3.5Å; S1123-R1126 WeakPolarHBondContact O-CB 3.37Å; S1123-R1126 PolarHBondContact O-N 2.79Å; S1123-L1127 PolarHBondContact O-N 3.42Å |
| 1124 | A | 73.1 | Confident | 69.2 | Low | 82 Ų | 82 | 113.3 Ų | 113.3 | 68% | 0.678 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -47.6 | -33 | -162.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1128 | A1124-R1128 WeakPolarHBondContact O-CB 3.44Å; A1124-R1128 PolarHBondContact O-N 3.43Å |
| 1125 | G | 78.8 | Confident | 70.8 | Confident | 32 Ų | 32 | 112.4 Ų | 112.4 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.8 | -31 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | S1123 R1129 | S1123-G1125 CarbonylContact O-C 3.53Å; S1123-G1125 PolarHBondContact O-N 2.99Å; G1125-R1129 WeakPolarHBondContact O-CB 3.36Å; G1125-R1129 VanDerWaalsContact O-CG 3.28Å; G1125-R1129 WeakPolarHBondContact O-CG 3.32Å; G1125-R1129 PolarHBondContact O-N 3Å; G1125-R1129 VanDerWaalsContact O-N 3.16Å; G1125-R1129 PolarHBondContact O-NE 3.47Å |
| 1126 | R | 77.7 | Confident | 72.4 | Confident | 169 Ų | 169 | 110.9 Ų | 110.9 | 64% | 0.638 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.7 | -46.3 | 169.8 | -174.3 | 176.9 | 178.1 | 113 | -6.5 | 110.9 | P1122 S1123 R1129 Q1130 | P1122-R1126 HydrophobicContact CB-CB 4.43Å; P1122-R1126 HydrophobicContact CB-CG 4.27Å; S1123-R1126 WeakPolarHBondContact O-CA 3.5Å; S1123-R1126 WeakPolarHBondContact O-CB 3.37Å; S1123-R1126 PolarHBondContact O-N 2.79Å; R1126-R1129 CarbonylContact O-C 3.57Å; R1126-R1129 PolarHBondContact O-N 3.31Å; R1126-Q1130 PolarHBondContact O-N 3.31Å |
| 1127 | L | 81.2 | Confident | 74.1 | Confident | 78 Ų | 78 | 109.5 Ų | 109.5 | 41% | 0.408 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.8 | -46.2 | 175.1 | -178.9 | 58.3 | 0 | 0 | 0 | 111.6 | P1122 S1123 R1129 Q1130 I1131 | P1122-L1127 HydrophobicContact CG-CB 4.45Å; P1122-L1127 WeakPolarHBondContact O-CB 3.06Å; S1123-L1127 PolarHBondContact O-N 3.42Å; L1127-R1129 VanDerWaalsContact C-N 3.35Å; L1127-R1129 PolarHBondContact O-N 2.9Å; L1127-Q1130 WeakPolarHBondContact O-CA 3.44Å; L1127-Q1130 WeakPolarHBondContact O-CB 3.45Å; L1127-Q1130 PolarHBondContact O-N 2.97Å; L1127-I1131 HydrophobicContact CD1-CD1 4.08Å; L1127-I1131 HydrophobicContact CD1-CG1 4.24Å; L1127-I1131 HydrophobicContact CG-CD1 3.92Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.26Å; L1127-I1131 PolarHBondContact O-N 2.85Å |
| 1128 | R | 82.6 | Confident | 76 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -53.5 | -49.3 | 172.6 | -173.9 | -171.6 | 174.3 | -67 | -10.8 | 111.3 | A1124 Q1130 I1131 E1132 | A1124-R1128 WeakPolarHBondContact O-CB 3.44Å; A1124-R1128 PolarHBondContact O-N 3.43Å; R1128-Q1130 PolarHBondContact O-N 3.41Å; R1128-I1131 PolarHBondContact O-N 3.43Å; R1128-E1132 IonicContact CZ-OE1 3.71Å; R1128-E1132 VanDerWaalsContact CZ-OE1 3.27Å; R1128-E1132 IonicContact CZ-OE2 3.55Å; R1128-E1132 IonicContact NH1-OE1 2.74Å; R1128-E1132 PolarHBondContact NH1-OE1 3Å; R1128-E1132 IonicContact NH1-OE2 2.78Å; R1128-E1132 PolarHBondContact NH1-OE2 3.31Å; R1128-E1132 IonicContact NH2-OE1 2.71Å; R1128-E1132 PolarHBondContact NH2-OE1 3.07Å; R1128-E1132 WeakPolarHBondContact O-CB 3.32Å; R1128-E1132 PolarHBondContact O-N 3.44Å |
| 1129 | R | 82.4 | Confident | 77.7 | Confident | 155 Ų | 155 | 106.9 Ų | 106.9 | 59% | 0.585 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.6 | -15.1 | 176.9 | -76.1 | 177.4 | -71.4 | -171.5 | -0.4 | 114 | G1125 R1126 L1127 R1133 | G1125-R1129 WeakPolarHBondContact O-CB 3.36Å; G1125-R1129 VanDerWaalsContact O-CG 3.28Å; G1125-R1129 WeakPolarHBondContact O-CG 3.32Å; G1125-R1129 PolarHBondContact O-N 3Å; G1125-R1129 VanDerWaalsContact O-N 3.16Å; G1125-R1129 PolarHBondContact O-NE 3.47Å; R1126-R1129 CarbonylContact O-C 3.57Å; R1126-R1129 PolarHBondContact O-N 3.31Å; L1127-R1129 VanDerWaalsContact C-N 3.35Å; L1127-R1129 PolarHBondContact O-N 2.9Å; R1129-R1133 VanDerWaalsContact O-CG 3.29Å; R1129-R1133 WeakPolarHBondContact O-CG 3.36Å; R1129-R1133 PolarHBondContact O-NE 2.88Å |
| 1130 | Q | 81 | Confident | 79 | Confident | 96 Ų | 96 | 105 Ų | 105 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.5 | -46.1 | 170.6 | -174.2 | 155.4 | -41.4 | 0 | 0 | 111.3 | R1126 L1127 R1128 E1132 R1133 V1134 | R1126-Q1130 PolarHBondContact O-N 3.31Å; L1127-Q1130 WeakPolarHBondContact O-CA 3.44Å; L1127-Q1130 WeakPolarHBondContact O-CB 3.45Å; L1127-Q1130 PolarHBondContact O-N 2.97Å; R1128-Q1130 PolarHBondContact O-N 3.41Å; Q1130-E1132 VanDerWaalsContact C-N 3.34Å; Q1130-E1132 PolarHBondContact O-N 2.88Å; Q1130-R1133 PolarHBondContact O-N 3Å; Q1130-V1134 WeakPolarHBondContact O-CG2 3.36Å; Q1130-V1134 PolarHBondContact O-N 2.72Å |
| 1131 | I | 85.4 | Confident | 80.5 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 54% | 0.538 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60 | -44.5 | 174.4 | -65.3 | 168.8 | 0 | 0 | 0 | 110.6 | L1127 R1128 R1133 V1134 H1135 | L1127-I1131 HydrophobicContact CD1-CD1 4.08Å; L1127-I1131 HydrophobicContact CD1-CG1 4.24Å; L1127-I1131 HydrophobicContact CG-CD1 3.92Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.26Å; L1127-I1131 PolarHBondContact O-N 2.85Å; R1128-I1131 PolarHBondContact O-N 3.43Å; I1131-R1133 VanDerWaalsContact C-N 3.34Å; I1131-R1133 PolarHBondContact O-N 3.33Å; I1131-V1134 PolarHBondContact O-N 3.44Å; I1131-V1134 VanDerWaalsContact O-N 3.16Å; I1131-H1135 WeakPolarHBondContact O-CB 3.42Å; I1131-H1135 PolarHBondContact O-N 3.48Å |
| 1132 | E | 84.6 | Confident | 81.9 | Confident | 80 Ų | 80 | 99.6 Ų | 99.6 | 37% | 0.374 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.8 | -171.5 | 169.2 | -125.4 | 0 | 0 | 112.3 | R1128 Q1130 H1136 | R1128-E1132 IonicContact CZ-OE1 3.71Å; R1128-E1132 VanDerWaalsContact CZ-OE1 3.27Å; R1128-E1132 IonicContact CZ-OE2 3.55Å; R1128-E1132 IonicContact NH1-OE1 2.74Å; R1128-E1132 PolarHBondContact NH1-OE1 3Å; R1128-E1132 IonicContact NH1-OE2 2.78Å; R1128-E1132 PolarHBondContact NH1-OE2 3.31Å; R1128-E1132 IonicContact NH2-OE1 2.71Å; R1128-E1132 PolarHBondContact NH2-OE1 3.07Å; R1128-E1132 WeakPolarHBondContact O-CB 3.32Å; R1128-E1132 PolarHBondContact O-N 3.44Å; Q1130-E1132 VanDerWaalsContact C-N 3.34Å; Q1130-E1132 PolarHBondContact O-N 2.88Å; E1132-H1136 WeakPolarHBondContact O-CB 3.46Å; E1132-H1136 PolarHBondContact O-N 2.92Å |
| 1133 | R | 87.6 | Confident | 83.4 | Confident | 160 Ų | 160 | 99.5 Ų | 99.5 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.8 | -40.6 | 172 | -78.6 | -178.8 | -66.1 | 153.1 | 3.9 | 112.7 | R1129 Q1130 I1131 R1137 | R1129-R1133 VanDerWaalsContact O-CG 3.29Å; R1129-R1133 WeakPolarHBondContact O-CG 3.36Å; R1129-R1133 PolarHBondContact O-NE 2.88Å; Q1130-R1133 PolarHBondContact O-N 3Å; I1131-R1133 VanDerWaalsContact C-N 3.34Å; I1131-R1133 PolarHBondContact O-N 3.33Å; R1133-R1137 WeakPolarHBondContact O-CB 3.46Å; R1133-R1137 PolarHBondContact O-N 2.84Å |
| 1134 | V | 88.2 | Confident | 84.4 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -43.1 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | Q1130 I1131 R1137 L1138 | Q1130-V1134 WeakPolarHBondContact O-CG2 3.36Å; Q1130-V1134 PolarHBondContact O-N 2.72Å; I1131-V1134 PolarHBondContact O-N 3.44Å; I1131-V1134 VanDerWaalsContact O-N 3.16Å; V1134-R1137 PolarHBondContact O-N 2.95Å; V1134-L1138 HydrophobicContact CG1-CD1 3.96Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CG 3.37Å; V1134-L1138 PolarHBondContact O-N 3.06Å |
| 1135 | H | 89.2 | Confident | 85 | Confident | 128 Ų | 128 | 104.6 Ų | 104.6 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.8 | -48.3 | 175.5 | -175 | -76.6 | 0 | 0 | 0 | 111.7 | I1131 R1137 L1138 Q1139 | I1131-H1135 WeakPolarHBondContact O-CB 3.42Å; I1131-H1135 PolarHBondContact O-N 3.48Å; H1135-R1137 VanDerWaalsContact C-N 3.3Å; H1135-R1137 PolarHBondContact O-N 2.92Å; H1135-L1138 PolarHBondContact O-N 3.07Å; H1135-Q1139 PolarHBondContact O-N 3.19Å |
| 1136 | H | 81.5 | Confident | 85.4 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 32% | 0.324 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -38.9 | 175.7 | -173.6 | -39 | 0 | 0 | 0 | 111.7 | E1132 Q1139 T1140 | E1132-H1136 WeakPolarHBondContact O-CB 3.46Å; E1132-H1136 PolarHBondContact O-N 2.92Å; H1136-Q1139 PolarHBondContact O-N 3.26Å; H1136-T1140 PolarHBondContact O-N 3.01Å; H1136-T1140 PolarHBondContact O-OG1 2.83Å |
| 1137 | R | 86.6 | Confident | 85.6 | Confident | 170 Ų | 170 | 102.4 Ų | 102.4 | 64% | 0.642 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -46.6 | 175.4 | -179.8 | 176.6 | 177.1 | 166.9 | 4.2 | 111.8 | R1133 V1134 H1135 Q1139 T1140 D1141 | R1133-R1137 WeakPolarHBondContact O-CB 3.46Å; R1133-R1137 PolarHBondContact O-N 2.84Å; V1134-R1137 PolarHBondContact O-N 2.95Å; H1135-R1137 VanDerWaalsContact C-N 3.3Å; H1135-R1137 PolarHBondContact O-N 2.92Å; R1137-Q1139 VanDerWaalsContact C-N 3.29Å; R1137-Q1139 PolarHBondContact O-N 3.14Å; R1137-T1140 WeakPolarHBondContact CA-OG1 3.4Å; R1137-T1140 PolarHBondContact O-N 3.12Å; R1137-T1140 PolarHBondContact O-OG1 3.43Å; R1137-D1141 WeakPolarHBondContact CG-OD2 3.35Å; R1137-D1141 IonicContact NE-OD2 2.76Å; R1137-D1141 PolarHBondContact NE-OD2 2.67Å; R1137-D1141 WeakPolarHBondContact O-CB 3.29Å; R1137-D1141 VanDerWaalsContact O-CG 3.25Å; R1137-D1141 PolarHBondContact O-N 3.31Å |
| 1138 | L | 88.9 | Confident | 85.5 | Confident | 112 Ų | 112 | 107.2 Ų | 107.2 | 59% | 0.586 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.4 | -38.3 | 177.3 | -72.2 | 169.9 | 0 | 0 | 0 | 111.8 | V1134 H1135 Q1142 | V1134-L1138 HydrophobicContact CG1-CD1 3.96Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CG 3.37Å; V1134-L1138 PolarHBondContact O-N 3.06Å; H1135-L1138 PolarHBondContact O-N 3.07Å; L1138-Q1142 VanDerWaalsContact O-CB 3.31Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.28Å; L1138-Q1142 PolarHBondContact O-N 2.81Å |
| 1139 | Q | 85.8 | Confident | 85.5 | Confident | 93 Ų | 93 | 107.3 Ų | 107.3 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.6 | -52.5 | 171.8 | -171 | 65.9 | 55.6 | 0 | 0 | 110.7 | H1135 H1136 R1137 D1141 Q1142 D1143 | H1135-Q1139 PolarHBondContact O-N 3.19Å; H1136-Q1139 PolarHBondContact O-N 3.26Å; R1137-Q1139 VanDerWaalsContact C-N 3.29Å; R1137-Q1139 PolarHBondContact O-N 3.14Å; Q1139-D1141 VanDerWaalsContact C-N 3.32Å; Q1139-D1141 PolarHBondContact O-N 2.75Å; Q1139-Q1142 CarbonylContact O-C 3.58Å; Q1139-Q1142 WeakPolarHBondContact O-CA 3.35Å; Q1139-Q1142 WeakPolarHBondContact O-CB 3.37Å; Q1139-Q1142 PolarHBondContact O-N 2.82Å; Q1139-Q1142 VanDerWaalsContact O-N 3.07Å; Q1139-D1143 PolarHBondContact NE2-OD1 2.82Å; Q1139-D1143 PolarHBondContact O-N 3.33Å |
| 1140 | T | 83.8 | Confident | 85.5 | Confident | 50 Ų | 50 | 103.6 Ų | 103.6 | 31% | 0.307 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.7 | -33.1 | -180 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | H1136 R1137 Q1142 L1144 | H1136-T1140 PolarHBondContact O-N 3.01Å; H1136-T1140 PolarHBondContact O-OG1 2.83Å; R1137-T1140 WeakPolarHBondContact CA-OG1 3.4Å; R1137-T1140 PolarHBondContact O-N 3.12Å; R1137-T1140 PolarHBondContact O-OG1 3.43Å; T1140-Q1142 VanDerWaalsContact C-N 3.32Å; T1140-L1144 VanDerWaalsContact O-CB 3.23Å; T1140-L1144 WeakPolarHBondContact O-CB 3.17Å; T1140-L1144 PolarHBondContact O-N 2.58Å |
| 1141 | D | 88.9 | Confident | 85.3 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.1 | -27.4 | 175.9 | -69.7 | -16.4 | 0 | 0 | 0 | 111.4 | R1137 Q1139 R1145 | R1137-D1141 WeakPolarHBondContact CG-OD2 3.35Å; R1137-D1141 IonicContact NE-OD2 2.76Å; R1137-D1141 PolarHBondContact NE-OD2 2.67Å; R1137-D1141 WeakPolarHBondContact O-CB 3.29Å; R1137-D1141 VanDerWaalsContact O-CG 3.25Å; R1137-D1141 PolarHBondContact O-N 3.31Å; Q1139-D1141 VanDerWaalsContact C-N 3.32Å; Q1139-D1141 PolarHBondContact O-N 2.75Å; D1141-R1145 WeakPolarHBondContact O-CB 3.43Å; D1141-R1145 PolarHBondContact O-N 3.47Å |
| 1142 | Q | 89 | Confident | 85 | Confident | 78 Ų | 78 | 103.9 Ų | 103.9 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.3 | -47.2 | 171.2 | 179.7 | 61.7 | 18.1 | 0 | 0 | 111.7 | L1138 Q1139 T1140 L1144 R1145 E1146 | L1138-Q1142 VanDerWaalsContact O-CB 3.31Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.28Å; L1138-Q1142 PolarHBondContact O-N 2.81Å; Q1139-Q1142 CarbonylContact O-C 3.58Å; Q1139-Q1142 WeakPolarHBondContact O-CA 3.35Å; Q1139-Q1142 WeakPolarHBondContact O-CB 3.37Å; Q1139-Q1142 PolarHBondContact O-N 2.82Å; Q1139-Q1142 VanDerWaalsContact O-N 3.07Å; T1140-Q1142 VanDerWaalsContact C-N 3.32Å; Q1142-L1144 VanDerWaalsContact C-N 3.26Å; Q1142-L1144 PolarHBondContact O-N 2.79Å; Q1142-R1145 CarbonylContact O-C 3.44Å; Q1142-R1145 WeakPolarHBondContact O-CA 3.43Å; Q1142-R1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-R1145 PolarHBondContact O-N 3.36Å; Q1142-E1146 PolarHBondContact NE2-OE1 2.86Å; Q1142-E1146 PolarHBondContact O-N 3.23Å |
| 1143 | D | 91.4 | Very high | 84.7 | Confident | 53 Ų | 53 | 104.8 Ų | 104.8 | 28% | 0.283 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56 | -42.5 | 175.9 | -58.8 | -19.9 | 0 | 0 | 0 | 110.6 | Q1139 E1146 L1147 | Q1139-D1143 PolarHBondContact NE2-OD1 2.82Å; Q1139-D1143 PolarHBondContact O-N 3.33Å; D1143-E1146 PolarHBondContact O-N 2.88Å; D1143-L1147 WeakPolarHBondContact O-CB 3.46Å; D1143-L1147 VanDerWaalsContact O-CG 3.32Å; D1143-L1147 WeakPolarHBondContact O-CG 3.42Å; D1143-L1147 PolarHBondContact O-N 2.92Å |
| 1144 | L | 83.9 | Confident | 83.8 | Confident | 110 Ų | 110 | 105.5 Ų | 105.5 | 58% | 0.576 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -69.1 | -31.8 | 176.9 | -176 | 61 | 0 | 0 | 0 | 112.9 | T1140 Q1142 R1148 | T1140-L1144 VanDerWaalsContact O-CB 3.23Å; T1140-L1144 WeakPolarHBondContact O-CB 3.17Å; T1140-L1144 PolarHBondContact O-N 2.58Å; Q1142-L1144 VanDerWaalsContact C-N 3.26Å; Q1142-L1144 PolarHBondContact O-N 2.79Å; L1144-R1148 WeakPolarHBondContact O-CB 3.29Å; L1144-R1148 PolarHBondContact O-N 3.31Å |
| 1145 | R | 85.6 | Confident | 82.8 | Confident | 172 Ų | 172 | 104.1 Ų | 104.1 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -69 | -42.5 | 172.3 | -178.8 | -170.4 | -59.4 | -106.8 | -2.5 | 111 | D1141 Q1142 R1148 Y1149 | D1141-R1145 WeakPolarHBondContact O-CB 3.43Å; D1141-R1145 PolarHBondContact O-N 3.47Å; Q1142-R1145 CarbonylContact O-C 3.44Å; Q1142-R1145 WeakPolarHBondContact O-CA 3.43Å; Q1142-R1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-R1145 PolarHBondContact O-N 3.36Å; R1145-R1148 PolarHBondContact O-N 3.33Å; R1145-Y1149 WeakPolarHBondContact O-CB 3.43Å; R1145-Y1149 PolarHBondContact O-N 2.81Å |
| 1146 | E | 87.7 | Confident | 81.3 | Confident | 95 Ų | 95 | 105.6 Ų | 105.6 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.9 | -71.8 | -178.1 | -156.9 | 0 | 0 | 111.2 | Q1142 D1143 R1148 Y1149 L1150 | Q1142-E1146 PolarHBondContact NE2-OE1 2.86Å; Q1142-E1146 PolarHBondContact O-N 3.23Å; D1143-E1146 PolarHBondContact O-N 2.88Å; E1146-R1148 VanDerWaalsContact C-N 3.29Å; E1146-R1148 PolarHBondContact O-N 3.39Å; E1146-Y1149 CarbonylContact O-C 3.57Å; E1146-Y1149 PolarHBondContact O-N 3.33Å; E1146-Y1149 VanDerWaalsContact O-N 3.1Å; E1146-L1150 WeakPolarHBondContact O-CD1 3.49Å; E1146-L1150 PolarHBondContact O-N 2.82Å |
| 1147 | L | 82.7 | Confident | 79.4 | Confident | 59 Ų | 59 | 109.6 Ų | 109.6 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.1 | -39.1 | 171.9 | -75.1 | 173 | 0 | 0 | 0 | 112.4 | L136 D1143 K1151 | L136-L1147 HydrophobicContact CD1-CD1 3.88Å; L136-L1147 HydrophobicContact CD1-CG 4.47Å; L136-L1147 HydrophobicContact CG-CD1 4.07Å; D1143-L1147 WeakPolarHBondContact O-CB 3.46Å; D1143-L1147 VanDerWaalsContact O-CG 3.32Å; D1143-L1147 WeakPolarHBondContact O-CG 3.42Å; D1143-L1147 PolarHBondContact O-N 2.92Å; L1147-K1151 WeakPolarHBondContact O-CB 3.43Å; L1147-K1151 PolarHBondContact O-N 3.27Å |
| 1148 | R | 79 | Confident | 77.4 | Confident | 179 Ų | 179 | 103.6 Ų | 103.6 | 68% | 0.675 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.1 | -45 | 173.1 | -179.8 | 179.3 | -69.2 | -112.4 | 1.1 | 111.4 | L1144 R1145 E1146 K1151 E1152 | L1144-R1148 WeakPolarHBondContact O-CB 3.29Å; L1144-R1148 PolarHBondContact O-N 3.31Å; R1145-R1148 PolarHBondContact O-N 3.33Å; E1146-R1148 VanDerWaalsContact C-N 3.29Å; E1146-R1148 PolarHBondContact O-N 3.39Å; R1148-K1151 CarbonylContact O-C 3.22Å; R1148-K1151 WeakPolarHBondContact O-CB 3.42Å; R1148-K1151 PolarHBondContact O-N 3.13Å; R1148-E1152 WeakPolarHBondContact O-CB 3.4Å; R1148-E1152 PolarHBondContact O-N 3.31Å |
| 1149 | Y | 81.7 | Confident | 75.4 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 52% | 0.518 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 178.5 | 174 | -114 | 0 | 0 | 0 | 112.6 | R1145 E1146 K1151 E1152 L1153 | R1145-Y1149 WeakPolarHBondContact O-CB 3.43Å; R1145-Y1149 PolarHBondContact O-N 2.81Å; E1146-Y1149 CarbonylContact O-C 3.57Å; E1146-Y1149 PolarHBondContact O-N 3.33Å; E1146-Y1149 VanDerWaalsContact O-N 3.1Å; Y1149-K1151 VanDerWaalsContact C-N 3.32Å; Y1149-K1151 PolarHBondContact O-N 3.42Å; Y1149-E1152 WeakPolarHBondContact O-CB 3Å; Y1149-E1152 PolarHBondContact O-N 3.28Å; Y1149-E1152 VanDerWaalsContact O-N 3.16Å; Y1149-L1153 HydrophobicContact CD1-CD1 4.01Å; Y1149-L1153 HydrophobicContact CD2-CG 4.45Å; Y1149-L1153 HydrophobicContact CE1-CD1 3.51Å; Y1149-L1153 HydrophobicContact CE1-CG 4.3Å; Y1149-L1153 HydrophobicContact CE2-CD1 4.18Å; Y1149-L1153 HydrophobicContact CE2-CD2 4.3Å; Y1149-L1153 HydrophobicContact CE2-CG 4.09Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.31Å; Y1149-L1153 PolarHBondContact O-N 3.06Å |
| 1150 | L | 83.8 | Confident | 73.7 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 41% | 0.408 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 171.6 | -88.2 | 78.6 | 0 | 0 | 0 | 111.4 | E1146 E1152 L1153 Y1154 | E1146-L1150 WeakPolarHBondContact O-CD1 3.49Å; E1146-L1150 PolarHBondContact O-N 2.82Å; L1150-E1152 VanDerWaalsContact C-N 3.27Å; L1150-E1152 PolarHBondContact O-N 2.92Å; L1150-L1153 PolarHBondContact O-N 2.79Å; L1150-Y1154 HydrophobicContact CB-CD2 4.19Å; L1150-Y1154 HydrophobicContact CB-CE2 4.39Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1154 HydrophobicContact CG-CD2 4.43Å; L1150-Y1154 HydrophobicContact CG-CE2 4.13Å; L1150-Y1154 WeakPolarHBondContact O-CB 3.4Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.23Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.28Å; L1150-Y1154 PolarHBondContact O-N 2.81Å |
| 1151 | K | 77.1 | Confident | 72 | Confident | 88 Ų | 88 | 103 Ų | 103 | 38% | 0.383 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -23.6 | 175.1 | 169.9 | 167.1 | 143 | 170.8 | 0 | 113.2 | R130 L1147 R1148 Y1149 F1155 | R130-K1151 WeakPolarHBondContact O-CE 3.24Å; R130-K1151 PolarHBondContact O-NZ 2.87Å; L1147-K1151 WeakPolarHBondContact O-CB 3.43Å; L1147-K1151 PolarHBondContact O-N 3.27Å; R1148-K1151 CarbonylContact O-C 3.22Å; R1148-K1151 WeakPolarHBondContact O-CB 3.42Å; R1148-K1151 PolarHBondContact O-N 3.13Å; Y1149-K1151 VanDerWaalsContact C-N 3.32Å; Y1149-K1151 PolarHBondContact O-N 3.42Å; K1151-F1155 HydrophobicContact CB-CD2 4.49Å; K1151-F1155 HydrophobicContact CG-CD2 4.17Å; K1151-F1155 WeakPolarHBondContact O-CB 3.41Å; K1151-F1155 VanDerWaalsContact O-CD2 3.31Å; K1151-F1155 WeakPolarHBondContact O-CD2 3.2Å |
| 1152 | E | 77.6 | Confident | 69.9 | Low | 119 Ų | 119 | 101.6 Ų | 101.6 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -81.5 | -43 | 172.2 | -161 | 160.9 | -156.7 | 0 | 0 | 110.7 | R1148 Y1149 L1150 | R1148-E1152 WeakPolarHBondContact O-CB 3.4Å; R1148-E1152 PolarHBondContact O-N 3.31Å; Y1149-E1152 WeakPolarHBondContact O-CB 3Å; Y1149-E1152 PolarHBondContact O-N 3.28Å; Y1149-E1152 VanDerWaalsContact O-N 3.16Å; L1150-E1152 VanDerWaalsContact C-N 3.27Å; L1150-E1152 PolarHBondContact O-N 2.92Å |
| 1153 | L | 78.3 | Confident | 67.9 | Low | 99 Ų | 99 | 106.2 Ų | 106.2 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -49.2 | 175.2 | -75 | 175.6 | 0 | 0 | 0 | 114.1 | Y1149 L1150 | Y1149-L1153 HydrophobicContact CD1-CD1 4.01Å; Y1149-L1153 HydrophobicContact CD2-CG 4.45Å; Y1149-L1153 HydrophobicContact CE1-CD1 3.51Å; Y1149-L1153 HydrophobicContact CE1-CG 4.3Å; Y1149-L1153 HydrophobicContact CE2-CD1 4.18Å; Y1149-L1153 HydrophobicContact CE2-CD2 4.3Å; Y1149-L1153 HydrophobicContact CE2-CG 4.09Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.31Å; Y1149-L1153 PolarHBondContact O-N 3.06Å; L1150-L1153 PolarHBondContact O-N 2.79Å |
| 1154 | Y | 69.8 | Low | 65.6 | Low | 175 Ų | 175 | 111 Ų | 111 | 69% | 0.686 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -85.8 | -6.1 | -172.7 | -71.4 | -65 | 0 | 0 | 0 | 114 | L1150 | L1150-Y1154 HydrophobicContact CB-CD2 4.19Å; L1150-Y1154 HydrophobicContact CB-CE2 4.39Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1154 HydrophobicContact CG-CD2 4.43Å; L1150-Y1154 HydrophobicContact CG-CE2 4.13Å; L1150-Y1154 WeakPolarHBondContact O-CB 3.4Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.23Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.28Å; L1150-Y1154 PolarHBondContact O-N 2.81Å |
| 1155 | F | 65.8 | Low | 64.1 | Low | 53 Ų | 53 | 109 Ų | 109 | 23% | 0.232 | 54% | 0.54 | C | S | . | . | S | Bend | trans | -132 | 86.6 | 177.2 | -54.5 | -62.1 | 0 | 0 | 0 | 110.7 | Q126 V129 R130 K1151 | Q126-F1155 HydrophobicContact CG-CD1 4.1Å; V129-F1155 HydrophobicContact CG1-CE1 3.96Å; V129-F1155 HydrophobicContact CG1-CE2 4.19Å; V129-F1155 HydrophobicContact CG1-CZ 3.46Å; V129-F1155 VanDerWaalsContact CG1-CZ 3.46Å; R130-F1155 HydrophobicContact CG-CB 3.71Å; R130-F1155 HydrophobicContact CG-CD2 3.9Å; R130-F1155 HydrophobicContact CG-CG 3.8Å; R130-F1155 PolarHBondContact NH1-O 2.73Å; K1151-F1155 HydrophobicContact CB-CD2 4.49Å; K1151-F1155 HydrophobicContact CG-CD2 4.17Å; K1151-F1155 WeakPolarHBondContact O-CB 3.41Å; K1151-F1155 VanDerWaalsContact O-CD2 3.31Å; K1151-F1155 WeakPolarHBondContact O-CD2 3.2Å |
| 1156 | E | 58.6 | Low | 62.3 | Low | 159 Ų | 159 | 110.3 Ų | 110.3 | 74% | 0.743 | 55% | 0.545 | S | S | * | . | | | trans | -36.1 | 139.5 | -178.1 | -60 | 176.2 | 146.4 | 0 | 0 | 114.9 | R130 | R130-E1156 VanDerWaalsContact CZ-O 3.26Å; R130-E1156 PolarHBondContact NH1-O 2.92Å; R130-E1156 PolarHBondContact NH2-O 3.13Å |
| 1157 | D | 42.4 | Very low | 60.6 | Low | 154 Ų | 154 | 108.5 Ų | 108.5 | 82% | 0.824 | 54% | 0.54 | S | S | * | . | | | trans | -49.2 | 136.2 | -168.1 | -99.4 | -45.3 | 0 | 0 | 0 | 116.4 | | |
| 1158 | G | 44.4 | Very low | 58.8 | Low | 44 Ų | 44 | 113.2 Ų | 113.2 | 45% | 0.454 | 55% | 0.553 | S | S | . | * | | | trans | -138.2 | 83.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1160 | G1158-L1160 PolarHBondContact O-N 2.74Š|
| 1159 | D | 46.7 | Very low | 57.4 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 34% | 0.342 | 55% | 0.553 | S | S | . | * | | | trans | -71.1 | 47.2 | 163.5 | 179.1 | 31.6 | 0 | 0 | 0 | 111.3 | R1168 R1170 | D1159-R1168 WeakPolarHBondContact O-CB 3.44Å; D1159-R1168 IonicContact OD1-NH1 2.71Å; D1159-R1170 VanDerWaalsContact OD2-CD 3.31Å; D1159-R1170 WeakPolarHBondContact OD2-CD 3.28Å; D1159-R1170 WeakPolarHBondContact OD2-CG 3.39Å; D1159-R1170 IonicContact OD2-NE 3.2Å |
| 1160 | L | 49.5 | Very low | 56 | Low | 92 Ų | 92 | 113.5 Ų | 113.5 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | | | trans | -141.7 | 143.9 | -177 | -77.5 | 92 | 0 | 0 | 0 | 108.9 | G1158 V1167 | G1158-L1160 PolarHBondContact O-N 2.74Å; L1160-V1167 HydrophobicContact CD2-CB 4.49Å; L1160-V1167 HydrophobicContact CD2-CG1 3.59Å; L1160-V1167 HydrophobicContact CD2-CG2 4.21Å; L1160-V1167 HydrophobicContact CG-CG1 4.02Å |
| 1161 | H | 47.3 | Very low | 54.3 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 40% | 0.398 | 58% | 0.578 | S | S | . | * | | | trans | 90.3 | 74.2 | -179.6 | -48.6 | -61.2 | 0 | 0 | 0 | 116.8 | | |
| 1162 | A | 46.8 | Very low | 52.8 | Low | 44 Ų | 44 | 122.3 Ų | 122.3 | 36% | 0.364 | 59% | 0.589 | S | S | . | * | | | trans | -69 | 142.8 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N1164 G1165 R1168 | A1162-N1164 PolarHBondContact O-N 2.95Å; A1162-G1165 PolarHBondContact O-N 3.21Å; A1162-R1168 HydrophobicContact CB-CG 4.4Å |
| 1163 | E | 46.1 | Very low | 51.6 | Low | 175 Ų | 175 | 124 Ų | 124 | 82% | 0.818 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -18.2 | -165.7 | -156.1 | -173 | 142.4 | 0 | 0 | 115.7 | G1165 | E1163-G1165 PolarHBondContact O-N 2.85Š|
| 1164 | N | 43.4 | Very low | 49.9 | Very low | 155 Ų | 155 | 127.7 Ų | 127.7 | 83% | 0.829 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 16.6 | -179.2 | -74.8 | -43.1 | 0 | 0 | 0 | 115.2 | A1162 R1166 | A1162-N1164 PolarHBondContact O-N 2.95Å; N1164-R1166 PolarHBondContact O-N 3.45Å |
| 1165 | G | 51 | Low | 49.1 | Very low | 68 Ų | 68 | 128.8 Ų | 128.8 | 70% | 0.701 | 60% | 0.601 | S | S | * | * | S | Bend | trans | 66.5 | -11.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | A1162 E1163 V1167 | A1162-G1165 PolarHBondContact O-N 3.21Å; E1163-G1165 PolarHBondContact O-N 2.85Å; G1165-V1167 PolarHBondContact O-N 2.59Å |
| 1166 | R | 49 | Very low | 48.5 | Very low | 199 Ų | 199 | 129.2 Ų | 129.2 | 75% | 0.751 | 62% | 0.62 | S | S | * | * | | | trans | -77.3 | 106.8 | 166.9 | 176.8 | 169.9 | -75.7 | -152.7 | -3.6 | 108 | N1164 R1168 | N1164-R1166 PolarHBondContact O-N 3.45Å; R1166-R1168 PolarHBondContact O-N 2.89Å |
| 1167 | V | 52.1 | Low | 47.9 | Very low | 57 Ų | 57 | 126.9 Ų | 126.9 | 35% | 0.345 | 61% | 0.612 | S | S | . | * | | | trans | -31.6 | 128.9 | 158.7 | 162.4 | 0 | 0 | 0 | 0 | 109.8 | L1160 G1165 Q1169 | L1160-V1167 HydrophobicContact CD2-CB 4.49Å; L1160-V1167 HydrophobicContact CD2-CG1 3.59Å; L1160-V1167 HydrophobicContact CD2-CG2 4.21Å; L1160-V1167 HydrophobicContact CG-CG1 4.02Å; G1165-V1167 PolarHBondContact O-N 2.59Å; V1167-Q1169 HydrophobicContact CG1-CG 4.27Å; V1167-Q1169 PolarHBondContact O-N 3.4Å |
| 1168 | R | 44.8 | Very low | 48.2 | Very low | 157 Ų | 157 | 126 Ų | 126 | 59% | 0.592 | 61% | 0.607 | S | S | * | * | | | trans | -62.6 | 89.8 | 160.7 | -106.7 | -178 | 169.5 | -123.7 | 1.4 | 105.6 | D1159 A1162 R1166 R1170 | D1159-R1168 WeakPolarHBondContact O-CB 3.44Å; D1159-R1168 IonicContact OD1-NH1 2.71Å; A1162-R1168 HydrophobicContact CB-CG 4.4Å; R1166-R1168 PolarHBondContact O-N 2.89Å; R1168-R1170 VanDerWaalsContact C-N 3.31Å; R1168-R1170 PolarHBondContact O-N 3.36Å |
| 1169 | Q | 49.9 | Very low | 48.2 | Very low | 144 Ų | 144 | 131.8 Ų | 131.8 | 67% | 0.673 | 63% | 0.627 | S | S | * | * | | | trans | -61.9 | 107.4 | 163.9 | -75.6 | -176.3 | -39.5 | 0 | 0 | 104 | V1167 R1171 | V1167-Q1169 HydrophobicContact CG1-CG 4.27Å; V1167-Q1169 PolarHBondContact O-N 3.4Å; Q1169-R1171 HydrophobicContact CB-CG 4.25Å; Q1169-R1171 WeakPolarHBondContact O-CG 3.33Å; Q1169-R1171 PolarHBondContact O-N 3.22Å |
| 1170 | R | 51.9 | Low | 48.1 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 66% | 0.657 | 65% | 0.646 | S | S | * | * | | | trans | -59.6 | 85.7 | 165.1 | -170.7 | 175.3 | -177.7 | 176.4 | 2.4 | 106.1 | D1159 R1168 F1172 | D1159-R1170 VanDerWaalsContact OD2-CD 3.31Å; D1159-R1170 WeakPolarHBondContact OD2-CD 3.28Å; D1159-R1170 WeakPolarHBondContact OD2-CG 3.39Å; D1159-R1170 IonicContact OD2-NE 3.2Å; R1168-R1170 VanDerWaalsContact C-N 3.31Å; R1168-R1170 PolarHBondContact O-N 3.36Å; R1170-F1172 HydrophobicContact CG-CD2 4.25Å; R1170-F1172 HydrophobicContact CG-CE2 4.19Å; R1170-F1172 PolarHBondContact O-N 2.8Å |
| 1171 | R | 48.7 | Very low | 48.1 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 80% | 0.796 | 64% | 0.643 | S | S | * | * | | | trans | -70.8 | 76.1 | -176.2 | -75.2 | -178.3 | 72.8 | -170.7 | 4.3 | 107.2 | Q1169 R1173 | Q1169-R1171 HydrophobicContact CB-CG 4.25Å; Q1169-R1171 WeakPolarHBondContact O-CG 3.33Å; Q1169-R1171 PolarHBondContact O-N 3.22Å; R1171-R1173 VanDerWaalsContact O-CG 3.29Å; R1171-R1173 WeakPolarHBondContact O-CG 3.24Å; R1171-R1173 PolarHBondContact O-N 3.25Å |
| 1172 | F | 45.5 | Very low | 48.2 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 61% | 0.614 | 65% | 0.652 | S | S | * | * | | | trans | -46.9 | 108.7 | 162.8 | -91.6 | -88.9 | 0 | 0 | 0 | 106.9 | R1170 W1174 | R1170-F1172 HydrophobicContact CG-CD2 4.25Å; R1170-F1172 HydrophobicContact CG-CE2 4.19Å; R1170-F1172 PolarHBondContact O-N 2.8Å; F1172-W1174 PolarHBondContact O-N 2.81Å |
| 1173 | R | 51.3 | Low | 48.3 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 58% | 0.581 | 67% | 0.668 | S | S | * | * | | | trans | -79.5 | 64.9 | -176.5 | -59.2 | -173.1 | 75.4 | 166.6 | 4.2 | 108.7 | D564 R1171 R1175 | D564-R1173 IonicContact OD1-NH1 2.8Å; D564-R1173 IonicContact OD2-NH1 2.74Å; R1171-R1173 VanDerWaalsContact O-CG 3.29Å; R1171-R1173 WeakPolarHBondContact O-CG 3.24Å; R1171-R1173 PolarHBondContact O-N 3.25Å; R1173-R1175 PolarHBondContact O-N 3.27Å |
| 1174 | W | 42.7 | Very low | 48.6 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 67% | 0.667 | 66% | 0.656 | S | S | * | * | | | trans | -62 | 82.1 | 166.1 | -72.5 | 95.4 | 0 | 0 | 0 | 109 | F1172 G1176 L1177 | F1172-W1174 PolarHBondContact O-N 2.81Å; W1174-G1176 VanDerWaalsContact C-N 3.29Å; W1174-G1176 PolarHBondContact O-N 3.41Å; W1174-L1177 HydrophobicContact CB-CB 3.78Å; W1174-L1177 HydrophobicContact CB-CD1 3.88Å; W1174-L1177 HydrophobicContact CB-CG 3.78Å; W1174-L1177 HydrophobicContact CD2-CD1 3.5Å; W1174-L1177 HydrophobicContact CD2-CG 3.99Å; W1174-L1177 HydrophobicContact CE3-CD1 3.79Å; W1174-L1177 HydrophobicContact CE3-CG 3.92Å; W1174-L1177 HydrophobicContact CG-CB 4.4Å; W1174-L1177 HydrophobicContact CG-CD1 3.55Å; W1174-L1177 HydrophobicContact CG-CG 3.97Å; W1174-L1177 HydrophobicContact CZ3-CD1 4.49Å; W1174-L1177 PolarHBondContact O-N 2.9Å; W1174-L1177 VanDerWaalsContact O-N 3.16Å |
| 1175 | R | 53.4 | Low | 48.9 | Very low | 199 Ų | 199 | 135.7 Ų | 135.7 | 75% | 0.751 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 95.5 | 162.5 | -62.9 | -78.9 | -161.2 | 164.5 | 9.5 | 106.1 | R1173 | R1173-R1175 PolarHBondContact O-N 3.27Š|
| 1176 | G | 52.2 | Low | 48.8 | Very low | 61 Ų | 61 | 139.3 Ų | 139.3 | 63% | 0.629 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119.6 | 6.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | W1174 | W1174-G1176 VanDerWaalsContact C-N 3.29Å; W1174-G1176 PolarHBondContact O-N 3.41Å |
| 1177 | L | 46.7 | Very low | 48.7 | Very low | 111 Ų | 111 | 137 Ų | 137 | 58% | 0.581 | 65% | 0.652 | S | S | * | * | | | trans | -102.7 | 61.3 | 159.7 | -69.3 | -175.2 | 0 | 0 | 0 | 110.8 | W1174 N1179 | W1174-L1177 HydrophobicContact CB-CB 3.78Å; W1174-L1177 HydrophobicContact CB-CD1 3.88Å; W1174-L1177 HydrophobicContact CB-CG 3.78Å; W1174-L1177 HydrophobicContact CD2-CD1 3.5Å; W1174-L1177 HydrophobicContact CD2-CG 3.99Å; W1174-L1177 HydrophobicContact CE3-CD1 3.79Å; W1174-L1177 HydrophobicContact CE3-CG 3.92Å; W1174-L1177 HydrophobicContact CG-CB 4.4Å; W1174-L1177 HydrophobicContact CG-CD1 3.55Å; W1174-L1177 HydrophobicContact CG-CG 3.97Å; W1174-L1177 HydrophobicContact CZ3-CD1 4.49Å; W1174-L1177 PolarHBondContact O-N 2.9Å; W1174-L1177 VanDerWaalsContact O-N 3.16Å; L1177-N1179 VanDerWaalsContact C-N 3.31Å; L1177-N1179 PolarHBondContact O-N 3.31Å |
| 1178 | D | 48.2 | Very low | 48.4 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | | | trans | -73.2 | 85.1 | 168.2 | -71.5 | -47.4 | 0 | 0 | 0 | 109.8 | N1180 | D1178-N1180 PolarHBondContact O-N 3.05Å; D1178-N1180 PolarHBondContact O-ND2 3.41Å |
| 1179 | N | 45.4 | Very low | 48.3 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 42 | 9.6 | 155.8 | -67.5 | -9.7 | 0 | 0 | 0 | 120.9 | L1177 D1181 | L1177-N1179 VanDerWaalsContact C-N 3.31Å; L1177-N1179 PolarHBondContact O-N 3.31Å; N1179-D1181 PolarHBondContact O-N 3.2Å |
| 1180 | N | 44.7 | Very low | 48 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | | | trans | -98.1 | 72.2 | 174.6 | -61.3 | -47 | 0 | 0 | 0 | 108.6 | D1178 P1182 | D1178-N1180 PolarHBondContact O-N 3.05Å; D1178-N1180 PolarHBondContact O-ND2 3.41Å; N1180-P1182 WeakPolarHBondContact O-CD 3.33Å |
| 1181 | D | 50.2 | Low | 47.5 | Very low | 79 Ų | 79 | 141 Ų | 141 | 42% | 0.422 | 70% | 0.699 | S | S | . | * | | | trans | -65.5 | 114.5 | 162.1 | 162.7 | 36.1 | 0 | 0 | 0 | 107.9 | N1179 F1183 T1184 | N1179-D1181 PolarHBondContact O-N 3.2Å; D1181-F1183 PolarHBondContact O-N 3.24Å; D1181-F1183 WeakPolarHBondContact OD1-CD2 3.38Å; D1181-F1183 PolarHBondContact OD1-N 2.98Å; D1181-T1184 WeakPolarHBondContact CB-OG1 3.46Å; D1181-T1184 VanDerWaalsContact CG-OG1 3.32Å; D1181-T1184 PolarHBondContact O-N 3.4Å; D1181-T1184 PolarHBondContact O-OG1 2.83Å; D1181-T1184 PolarHBondContact OD2-N 3.01Å; D1181-T1184 PolarHBondContact OD2-OG1 3.33Å |
| 1182 | P | 49.4 | Very low | 47 | Very low | 88 Ų | 88 | 136.3 Ų | 136.3 | 57% | 0.571 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -7.4 | -175.1 | -21.3 | 35 | 0 | 0 | 0 | 114.3 | N1180 Q1186 | N1180-P1182 WeakPolarHBondContact O-CD 3.33Å; P1182-Q1186 PolarHBondContact O-NE2 3.43Å |
| 1183 | F | 47.5 | Very low | 46.8 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 70% | 0.697 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -8.8 | -175.2 | -60.6 | -80.6 | 0 | 0 | 0 | 114.5 | D1181 | D1181-F1183 PolarHBondContact O-N 3.24Å; D1181-F1183 WeakPolarHBondContact OD1-CD2 3.38Å; D1181-F1183 PolarHBondContact OD1-N 2.98Å |
| 1184 | T | 53.6 | Low | 46.4 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -34.7 | -179.2 | -19.7 | 0 | 0 | 0 | 0 | 113.9 | D1181 Q1186 | D1181-T1184 WeakPolarHBondContact CB-OG1 3.46Å; D1181-T1184 VanDerWaalsContact CG-OG1 3.32Å; D1181-T1184 PolarHBondContact O-N 3.4Å; D1181-T1184 PolarHBondContact O-OG1 2.83Å; D1181-T1184 PolarHBondContact OD2-N 3.01Å; D1181-T1184 PolarHBondContact OD2-OG1 3.33Å; T1184-Q1186 PolarHBondContact O-N 3.46Å |
| 1185 | D | 49.6 | Very low | 46.2 | Very low | 140 Ų | 140 | 136 Ų | 136 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -2.2 | -167 | -74.9 | -17.1 | 0 | 0 | 0 | 115.6 | | |
| 1186 | Q | 48.7 | Very low | 45.4 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 8.9 | -167.8 | -64.8 | -171.4 | 75.7 | 0 | 0 | 115.5 | P1182 T1184 | P1182-Q1186 PolarHBondContact O-NE2 3.43Å; T1184-Q1186 PolarHBondContact O-N 3.46Å |
| 1187 | I | 46.2 | Very low | 45 | Very low | 151 Ų | 151 | 133.6 Ų | 133.6 | 77% | 0.774 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -117.1 | 26.5 | -174.9 | -29.7 | -177.3 | 0 | 0 | 0 | 113.3 | | |
| 1188 | N | 45 | Very low | 44.5 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | | | trans | -150.1 | 35 | 174.7 | -139.2 | 9 | 0 | 0 | 0 | 114.6 | D1190 | N1188-D1190 PolarHBondContact O-N 2.7Š|
| 1189 | I | 44.5 | Very low | 44.2 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | | | trans | -98.4 | 70.5 | 174.1 | -52.8 | 168.8 | 0 | 0 | 0 | 110 | | |
| 1190 | D | 42.2 | Very low | 44 | Very low | 139 Ų | 139 | 139 Ų | 139 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | -159 | 91.4 | 152.9 | -164.5 | 8.7 | 0 | 0 | 0 | 110.9 | N1188 | N1188-D1190 PolarHBondContact O-N 2.7Š|
| 1191 | N | 41.7 | Very low | 44 | Very low | 163 Ų | 163 | 140.7 Ų | 140.7 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 172.6 | 82 | 151.5 | -99.9 | -77.9 | 0 | 0 | 0 | 108.1 | | |
| 1192 | S | 38.9 | Very low | 43.4 | Very low | 114 Ų | 114 | 144.9 Ų | 144.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -76.8 | 136.8 | 166.1 | 55.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1193 | D | 40.8 | Very low | 42.9 | Very low | 156 Ų | 156 | 143.8 Ų | 143.8 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | -149.6 | 152.6 | 134.6 | -147.8 | -14.4 | 0 | 0 | 0 | 109.9 | | |
| 1194 | D | 42.7 | Very low | 42.6 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -72.1 | 157.3 | -172.8 | -75.6 | -53.6 | 0 | 0 | 0 | 112.8 | | |
| 1195 | N | 38.3 | Very low | 42.1 | Very low | 172 Ų | 172 | 143 Ų | 143 | 92% | 0.92 | 78% | 0.775 | S | S | * | * | | | | -166.5 | 112.1 | 126.1 | -105.3 | -78.8 | 0 | 0 | 0 | 110.1 | | |
| 1196 | S | 37.6 | Very low | 41.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -98.8 | 132.8 | 179.8 | 50 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1197 | S | 42.2 | Very low | 41.9 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -162.8 | 125 | 144.9 | -23.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1198 | E | 38.1 | Very low | 42 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | | 37.7 | 104.9 | 129.2 | -65.5 | 155.2 | -137.2 | 0 | 0 | 118.6 | | |
| 1199 | D | 42.1 | Very low | 42.2 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 90% | 0.904 | 75% | 0.751 | S | S | * | * | | | | -155 | 141.3 | 100.8 | -118.6 | -27.8 | 0 | 0 | 0 | 111.4 | | |
| 1200 | E | 39.9 | Very low | 42.7 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 72% | 0.719 | S | S | * | * | | | trans | -87.3 | 131.6 | -177.7 | -60 | -179 | 117.5 | 0 | 0 | 111.6 | | |
| 1201 | K | 44.3 | Very low | 43.2 | Very low | 172 Ų | 172 | 124.7 Ų | 124.7 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | | | | 177.3 | 150.6 | 112 | -96.2 | 177.8 | 176.3 | 173.3 | 0 | 114.5 | | |
| 1202 | H | 38.3 | Very low | 43.5 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 78% | 0.778 | 70% | 0.702 | S | S | * | * | | | trans | -7.4 | 125.5 | 164 | -28 | -61.5 | 0 | 0 | 0 | 115.9 | | |
| 1203 | G | 39.4 | Very low | 44.3 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 70% | 0.696 | S | S | * | * | | | cis | 116.7 | 132.4 | 24.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1204 | I | 41.7 | Very low | 45 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 85% | 0.851 | 69% | 0.69 | S | S | * | * | | | trans | -11.6 | 144.5 | 158.3 | 29.2 | 173 | 0 | 0 | 0 | 116.6 | | |
| 1205 | P | 42.3 | Very low | 45.2 | Very low | 71 Ų | 71 | 130.8 Ų | 130.8 | 46% | 0.461 | 69% | 0.689 | S | S | . | * | | | | -144.9 | 170.5 | 50.8 | 28 | -2.6 | 0 | 0 | 0 | 119.8 | D1210 | P1205-D1210 WeakPolarHBondContact CD-OD1 3.47Å; P1205-D1210 VanDerWaalsContact CG-OD1 3.25Å; P1205-D1210 WeakPolarHBondContact CG-OD1 3.44Å |
| 1206 | C | 45.2 | Very low | 45.3 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | | | trans | 43.3 | 179 | 143.2 | -67.6 | 0 | 0 | 0 | 0 | 122.7 | I1209 D1210 | C1206-I1209 HydrophobicContact CB-CG2 4.28Å; C1206-D1210 WeakPolarHBondContact CB-OD2 3.12Å |
| 1207 | G | 47.8 | Very low | 45.4 | Very low | 48 Ų | 48 | 124.2 Ų | 124.2 | 50% | 0.495 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -90.6 | -130.5 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114 | I1209 D1210 | G1207-I1209 PolarHBondContact O-N 3.15Å; G1207-D1210 PolarHBondContact O-N 3.41Å |
| 1208 | P | 49.3 | Very low | 45.1 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -53.7 | -26 | -173.4 | -28.5 | 35.7 | 0 | 0 | 0 | 115.5 | D1210 | P1208-D1210 VanDerWaalsContact C-N 3.31Å; P1208-D1210 PolarHBondContact O-N 3.39Å |
| 1209 | I | 49.7 | Very low | 45.1 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 50% | 0.503 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.2 | -24.9 | -179 | -141.6 | 162.4 | 0 | 0 | 0 | 113.1 | C1206 G1207 W1212 L1213 | C1206-I1209 HydrophobicContact CB-CG2 4.28Å; G1207-I1209 PolarHBondContact O-N 3.15Å; I1209-W1212 HydrophobicContact CG1-CE3 4.26Å; I1209-W1212 WeakPolarHBondContact O-CB 3.5Å; I1209-W1212 PolarHBondContact O-N 2.68Å; I1209-W1212 VanDerWaalsContact O-N 3.13Å; I1209-L1213 HydrophobicContact CG1-CD1 4.17Å; I1209-L1213 VanDerWaalsContact O-CD1 3.26Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.29Å; I1209-L1213 PolarHBondContact O-N 2.86Å |
| 1210 | D | 55.3 | Low | 44.8 | Very low | 23 Ų | 23 | 118.4 Ų | 118.4 | 12% | 0.123 | 63% | 0.632 | C | S | . | * | H | α-helix | trans | -84.6 | -15.1 | -178.2 | -86.5 | -80.3 | 0 | 0 | 0 | 114.2 | P1205 C1206 G1207 P1208 R1214 | P1205-D1210 WeakPolarHBondContact CD-OD1 3.47Å; P1205-D1210 VanDerWaalsContact CG-OD1 3.25Å; P1205-D1210 WeakPolarHBondContact CG-OD1 3.44Å; C1206-D1210 WeakPolarHBondContact CB-OD2 3.12Å; G1207-D1210 PolarHBondContact O-N 3.41Å; P1208-D1210 VanDerWaalsContact C-N 3.31Å; P1208-D1210 PolarHBondContact O-N 3.39Å; D1210-R1214 WeakPolarHBondContact O-CB 3.32Å; D1210-R1214 VanDerWaalsContact O-CD 3.29Å; D1210-R1214 WeakPolarHBondContact O-CD 3.28Å; D1210-R1214 WeakPolarHBondContact O-CG 3.4Å |
| 1211 | N | 50.9 | Low | 44.5 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 52% | 0.524 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -76.8 | -29.5 | 160.2 | -102.9 | -39.2 | 0 | 0 | 0 | 111.4 | R1214 R1215 | N1211-R1214 PolarHBondContact O-N 2.83Å; N1211-R1215 WeakPolarHBondContact O-CB 3.31Å; N1211-R1215 WeakPolarHBondContact O-CG 3.25Å; N1211-R1215 PolarHBondContact O-N 3.38Å; N1211-R1215 PolarHBondContact OD1-NE 3.38Å |
| 1212 | W | 48.4 | Very low | 44 | Very low | 195 Ų | 195 | 114.4 Ų | 114.4 | 74% | 0.739 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.3 | -46.3 | 177.1 | -170.3 | 59.9 | 0 | 0 | 0 | 111.5 | I1209 R1214 R1215 | I1209-W1212 HydrophobicContact CG1-CE3 4.26Å; I1209-W1212 WeakPolarHBondContact O-CB 3.5Å; I1209-W1212 PolarHBondContact O-N 2.68Å; I1209-W1212 VanDerWaalsContact O-N 3.13Å; W1212-R1214 PolarHBondContact O-N 2.84Å; W1212-R1214 VanDerWaalsContact O-N 3.15Å; W1212-R1215 PolarHBondContact O-N 2.99Å |
| 1213 | L | 56.6 | Low | 43.8 | Very low | 126 Ų | 126 | 109.4 Ų | 109.4 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -13.5 | 173.3 | -87.8 | 85.4 | 0 | 0 | 0 | 114.3 | I1209 | I1209-L1213 HydrophobicContact CG1-CD1 4.17Å; I1209-L1213 VanDerWaalsContact O-CD1 3.26Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.29Å; I1209-L1213 PolarHBondContact O-N 2.86Å |
| 1214 | R | 55.8 | Low | 43.8 | Very low | 189 Ų | 189 | 111.8 Ų | 111.8 | 71% | 0.713 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | -3.3 | 177.6 | -70.3 | 177.6 | -176 | -92.7 | 1 | 114.5 | D1210 N1211 W1212 | D1210-R1214 WeakPolarHBondContact O-CB 3.32Å; D1210-R1214 VanDerWaalsContact O-CD 3.29Å; D1210-R1214 WeakPolarHBondContact O-CD 3.28Å; D1210-R1214 WeakPolarHBondContact O-CG 3.4Å; N1211-R1214 PolarHBondContact O-N 2.83Å; W1212-R1214 PolarHBondContact O-N 2.84Å; W1212-R1214 VanDerWaalsContact O-N 3.15Å |
| 1215 | R | 46.5 | Very low | 43.5 | Very low | 186 Ų | 186 | 107.3 Ų | 107.3 | 70% | 0.702 | 60% | 0.599 | S | S | * | * | | | trans | -137.1 | 48.3 | -175 | -61.3 | -179.5 | -175 | -102.2 | 3.2 | 112.7 | N1211 W1212 P1217 | N1211-R1215 WeakPolarHBondContact O-CB 3.31Å; N1211-R1215 WeakPolarHBondContact O-CG 3.25Å; N1211-R1215 PolarHBondContact O-N 3.38Å; N1211-R1215 PolarHBondContact OD1-NE 3.38Å; W1212-R1215 PolarHBondContact O-N 2.99Å; R1215-P1217 WeakPolarHBondContact O-CD 3.45Å |
| 1216 | G | 40.4 | Very low | 43.2 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | | | trans | -82.7 | 114.8 | 157.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1217 | P | 39.4 | Very low | 42.9 | Very low | 70 Ų | 70 | 109.1 Ų | 109.1 | 46% | 0.455 | 59% | 0.592 | S | S | . | * | | | trans | -77.1 | 147 | 164.2 | 35.6 | -34.8 | 0 | 0 | 0 | 109.6 | E1048 D1049 R1215 | E1048-P1217 WeakPolarHBondContact O-CB 3.48Å; D1049-P1217 HydrophobicContact CB-CB 4.17Å; D1049-P1217 VanDerWaalsContact OD2-CB 3.24Å; D1049-P1217 WeakPolarHBondContact OD2-CB 3.25Å; R1215-P1217 WeakPolarHBondContact O-CD 3.45Å |
| 1218 | M | 36.3 | Very low | 42.3 | Very low | 110 Ų | 110 | 110.9 Ų | 110.9 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | | | trans | 171 | 98.7 | 158.2 | -100.8 | -72.6 | 164.1 | 0 | 0 | 107.5 | E1048 S1220 | E1048-M1218 HydrophobicContact CB-CE 3.71Å; E1048-M1218 HydrophobicContact CB-SD 4.16Å; E1048-M1218 HydrophobicContact CG-CE 4.4Å; M1218-S1220 PolarHBondContact O-N 3.46Å |
| 1219 | K | 37.3 | Very low | 41.6 | Very low | 125 Ų | 125 | 110.6 Ų | 110.6 | 54% | 0.543 | 59% | 0.593 | S | S | . | * | | | trans | -91.3 | 77.9 | -171.3 | -68.6 | 165.5 | -178.3 | 126.8 | 0 | 110.2 | E1048 D1049 E1052 | E1048-K1219 PolarHBondContact OE2-N 3.01Å; D1049-K1219 IonicContact OD1-NZ 2.72Å; D1049-K1219 PolarHBondContact OD1-NZ 3.44Å; D1049-K1219 IonicContact OD2-NZ 2.67Å; E1052-K1219 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1219 IonicContact OE1-NZ 2.67Å; E1052-K1219 PolarHBondContact OE1-NZ 2.96Å |
| 1220 | S | 35.2 | Very low | 41 | Very low | 99 Ų | 99 | 112.9 Ų | 112.9 | 69% | 0.692 | 60% | 0.601 | S | S | * | * | | | trans | -139.1 | 121.4 | 165.9 | 53.3 | 0 | 0 | 0 | 0 | 116.4 | M1218 | M1218-S1220 PolarHBondContact O-N 3.46Š|
| 1221 | S | 34.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 118.8 Ų | 118.8 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | | | trans | -51.3 | 158.6 | 156.5 | 66 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1222 | N | 33.2 | Very low | 39.9 | Very low | 154 Ų | 154 | 117.6 Ų | 117.6 | 82% | 0.824 | 64% | 0.644 | S | S | * | * | | | cis | -167.8 | 140.8 | 37 | -166.4 | 16.2 | 0 | 0 | 0 | 112.5 | | |
| 1223 | G | 34.3 | Very low | 39.7 | Very low | 63 Ų | 63 | 115.3 Ų | 115.3 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | | | trans | 80.9 | 160.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1224 | E | 38.7 | Very low | 39.2 | Very low | 115 Ų | 115 | 115.7 Ų | 115.7 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | | | cis | -154.1 | 122.6 | -10.5 | -98.2 | -164.4 | 115.2 | 0 | 0 | 111.7 | I1407 | E1224-I1407 HydrophobicContact CB-CG1 4.17Å; E1224-I1407 WeakPolarHBondContact OE1-CG2 3.16Å; E1224-I1407 VanDerWaalsContact OE2-CD1 3.3Å; E1224-I1407 WeakPolarHBondContact OE2-CD1 3.38Å |
| 1225 | N | 35.6 | Very low | 38.7 | Very low | 73 Ų | 73 | 113.6 Ų | 113.6 | 39% | 0.39 | 65% | 0.651 | S | S | . | * | | | trans | 74.2 | 139.5 | 133.8 | -67.2 | -41.5 | 0 | 0 | 0 | 124 | I1407 | N1225-I1407 HydrophobicContact CB-CB 4.46Å; N1225-I1407 HydrophobicContact CB-CG1 4.31Å |
| 1226 | N | 37.2 | Very low | 38.3 | Very low | 60 Ų | 60 | 110.2 Ų | 110.2 | 32% | 0.321 | 66% | 0.656 | S | S | . | * | | | trans | 84.6 | 110.9 | 138.8 | -73.3 | 7.5 | 0 | 0 | 0 | 118.6 | Q1406 I1407 H1408 | N1226-Q1406 PolarHBondContact ND2-O 3.16Å; N1226-I1407 PolarHBondContact ND2-N 3.34Å; N1226-I1407 PolarHBondContact ND2-O 3.24Å; N1226-H1408 PolarHBondContact ND2-N 2.94Å |
| 1227 | Q | 37.6 | Very low | 38.6 | Very low | 157 Ų | 157 | 114.9 Ų | 114.9 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | | | | 87.5 | 145 | 73.9 | -82.9 | 175 | 9.9 | 0 | 0 | 111 | | |
| 1228 | S | 36.3 | Very low | 38.5 | Very low | 85 Ų | 85 | 117.2 Ų | 117.2 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | | | cis | -170.8 | 151.3 | -1 | 45.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1229 | T | 34.2 | Very low | 38.7 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | | | trans | 55.2 | 177.5 | 148.8 | 64.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1230 | E | 36.9 | Very low | 38.8 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | cis | -159.7 | 162.7 | 4.8 | -150.4 | 164.2 | 137.9 | 0 | 0 | 110 | | |
| 1231 | N | 42.8 | Very low | 39 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | trans | 68.1 | 137.6 | 170.6 | -40.3 | -65.4 | 0 | 0 | 0 | 116.7 | | |
| 1232 | G | 40.1 | Very low | 39.4 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | | | cis | 124.2 | 147.2 | -10.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1233 | D | 44.2 | Very low | 39.7 | Very low | 147 Ų | 147 | 120.4 Ų | 120.4 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | | | trans | 82.1 | 143.7 | 159.2 | -141.5 | 11.2 | 0 | 0 | 0 | 119.5 | | |
| 1234 | L | 46.7 | Very low | 39.9 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | | | trans | 67.5 | 145.5 | 167.2 | -48.9 | -175.4 | 0 | 0 | 0 | 118.2 | | |
| 1235 | D | 44.7 | Very low | 40.1 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | | | cis | -144 | 165 | 4.3 | -113 | -36 | 0 | 0 | 0 | 111.5 | | |
| 1236 | S | 38 | Very low | 40.5 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -110.7 | 146 | 172.6 | -61 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1237 | D | 47.1 | Very low | 40.7 | Very low | 168 Ų | 168 | 130.9 Ų | 130.9 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | | | trans | -148.3 | 153.1 | 163.3 | -136.8 | -21.1 | 0 | 0 | 0 | 116.2 | | |
| 1238 | T | 37.2 | Very low | 40.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 73% | 0.73 | 74% | 0.741 | S | S | * | * | | | trans | -114.9 | 133.8 | -158.3 | -66.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1239 | I | 40 | Very low | 40.9 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | | | trans | -143.5 | 113.5 | 163.9 | -81.9 | -158.5 | 0 | 0 | 0 | 113.5 | | |
| 1240 | H | 40.6 | Very low | 41.2 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 73% | 0.731 | 74% | 0.743 | S | S | * | * | | | trans | 43.5 | 139 | 138.6 | -60.7 | -66.8 | 0 | 0 | 0 | 122.3 | | |
| 1241 | S | 39 | Very low | 41.8 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | | | cis | -161.4 | 172.9 | 7.6 | -93.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1242 | S | 42.7 | Very low | 42.6 | Very low | 123 Ų | 123 | 125.2 Ų | 125.2 | 86% | 0.86 | 71% | 0.708 | S | S | * | * | | | trans | -115.5 | 154.6 | -159.5 | -31.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1243 | S | 39.3 | Very low | 42.7 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 84% | 0.839 | 71% | 0.705 | S | S | * | * | | | trans | 167.3 | 139.3 | 145.9 | 167.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1244 | N | 38.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | | | cis | -178.5 | 121.4 | -12 | -177.2 | 36.7 | 0 | 0 | 0 | 114.2 | | |
| 1245 | K | 42.5 | Very low | 42.5 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 73% | 0.726 | 71% | 0.707 | S | S | * | * | | | trans | 66.7 | 159.7 | 152.5 | -79 | 173 | 175.6 | -94.8 | 0 | 122 | | |
| 1246 | Q | 44.6 | Very low | 42.5 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 65% | 0.654 | 71% | 0.705 | S | S | * | * | | | cis | 172.6 | 158.2 | -12.8 | 171.2 | 177.8 | -9 | 0 | 0 | 111 | | |
| 1247 | T | 42 | Very low | 42.6 | Very low | 100 Ų | 100 | 124 Ų | 124 | 61% | 0.613 | 70% | 0.703 | S | S | * | * | | | cis | -172.1 | 139.7 | -32.2 | 46.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1248 | N | 36.7 | Very low | 42.3 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | | | trans | 61.3 | 160.6 | 137.1 | -62.4 | 63.9 | 0 | 0 | 0 | 121.8 | | |
| 1249 | D | 41 | Very low | 42.5 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 67% | 0.674 | 69% | 0.694 | S | S | * | * | | | cis | -175.2 | 170.5 | -8.6 | -102.7 | 5.9 | 0 | 0 | 0 | 116.5 | | |
| 1250 | K | 41.1 | Very low | 42.7 | Very low | 161 Ų | 161 | 122 Ų | 122 | 70% | 0.7 | 69% | 0.693 | S | S | * | * | | | trans | 96.6 | 163.5 | 146.8 | -65.7 | -112.8 | 161.8 | -153.1 | 0 | 125.2 | | |
| 1251 | D | 49.3 | Very low | 42.8 | Very low | 52 Ų | 52 | 122.9 Ų | 122.9 | 28% | 0.278 | 70% | 0.697 | S | S | . | * | | | trans | -141.4 | -170.9 | -136.4 | 42.7 | -103.7 | 0 | 0 | 0 | 115.2 | C485 A486 D487 | C485-D1251 PolarHBondContact SG-OD2 3.23Å; A486-D1251 HydrophobicContact CB-CB 3.73Å; D487-D1251 HydrophobicContact CB-CB 4.15Å |
| 1252 | P | 58.9 | Low | 43 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 46% | 0.455 | 70% | 0.696 | S | S | . | * | | | cis | -137.4 | -143.6 | -22.2 | 37.9 | -13.6 | 0 | 0 | 0 | 115.8 | A486 | A486-P1252 HydrophobicContact CB-CB 3.84Š|
| 1253 | S | 42.6 | Very low | 43 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | | | trans | 88.9 | 158.2 | 158.8 | 72.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1254 | D | 43.8 | Very low | 42.9 | Very low | 151 Ų | 151 | 127.8 Ų | 127.8 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | | | cis | -178.4 | 171.3 | -27.1 | -93.9 | -53.7 | 0 | 0 | 0 | 110 | | |
| 1255 | S | 42.4 | Very low | 42.8 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | | | cis | -172.1 | 168.9 | -20.5 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1256 | A | 44.2 | Very low | 42.6 | Very low | 90 Ų | 90 | 124 Ų | 124 | 74% | 0.744 | 68% | 0.679 | S | S | * | * | | | trans | 69.7 | 167.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1257 | L | 40.6 | Very low | 42.3 | Very low | 146 Ų | 146 | 127 Ų | 127 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | | | cis | -173.9 | 175.2 | -27.5 | -86.6 | 169.7 | 0 | 0 | 0 | 107.8 | | |
| 1258 | E | 40.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 71% | 0.71 | 69% | 0.692 | S | S | * | * | | | cis | -170.6 | 150.3 | 4.2 | -131.7 | 153.2 | -151.6 | 0 | 0 | 114.4 | | |
| 1259 | S | 42.3 | Very low | 42.1 | Very low | 103 Ų | 103 | 126.7 Ų | 126.7 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | | | trans | 65.3 | 163.3 | 152.8 | 68 | 0 | 0 | 0 | 0 | 125.7 | | |
| 1260 | D | 44.4 | Very low | 42 | Very low | 139 Ų | 139 | 126.5 Ų | 126.5 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | | | cis | -175.3 | 165.6 | -37.9 | -86.7 | -49.4 | 0 | 0 | 0 | 115.4 | | |
| 1261 | E | 42.7 | Very low | 41.6 | Very low | 177 Ų | 177 | 126.2 Ų | 126.2 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | | | trans | 82.4 | 135 | 158.7 | -61.6 | -149.6 | 163.6 | 0 | 0 | 129.8 | | |
| 1262 | E | 42.8 | Very low | 41.1 | Very low | 162 Ų | 162 | 131.8 Ų | 131.8 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | 88.7 | 133.1 | 140 | -91.9 | -159.9 | 158 | 0 | 0 | 130.3 | | |
| 1263 | I | 42.4 | Very low | 40 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | | | trans | 89.6 | 104.9 | 144.8 | -65.9 | 164.9 | 0 | 0 | 0 | 125.8 | | |
| 1264 | E | 37.5 | Very low | 39.5 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | | | trans | 33.7 | 144 | 133.8 | -48.5 | -160.3 | 140 | 0 | 0 | 130.2 | | |
| 1265 | N | 35.7 | Very low | 39.2 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | | 89.7 | 98 | 126.3 | -89.4 | -39.2 | 0 | 0 | 0 | 126.1 | | |
| 1266 | S | 39.5 | Very low | 39.1 | Very low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | | | | 109.8 | 139.9 | 108.4 | 81.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1267 | K | 39 | Very low | 38.9 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | | | trans | 74.3 | 152.2 | 157.6 | -66.6 | 171.4 | -179.3 | 168.9 | 0 | 120.5 | | |
| 1268 | A | 36.5 | Very low | 38.8 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | cis | -179.2 | 156.5 | -24.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1269 | V | 37.4 | Very low | 39 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | 66.5 | 131 | 152.9 | 166.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1270 | T | 38.5 | Very low | 39 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | cis | -139.2 | 158 | 30.3 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1271 | D | 33.6 | Very low | 38.7 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -86.3 | 161.4 | 169.2 | -45.6 | -80.5 | 0 | 0 | 0 | 114.5 | | |
| 1272 | N | 38.9 | Very low | 38.6 | Very low | 170 Ų | 170 | 135.6 Ų | 135.6 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | | | trans | -154.4 | 129.5 | 148.6 | -100.8 | -44.8 | 0 | 0 | 0 | 108.8 | | |
| 1273 | L | 34.7 | Very low | 38.9 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | | | trans | -101.9 | 143.5 | -169.7 | -176.6 | 65.8 | 0 | 0 | 0 | 111.5 | T1275 | L1273-T1275 HydrophobicContact CD2-CG2 4.46Š|
| 1274 | S | 33.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -137.5 | 139.9 | 160.7 | -168.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1275 | T | 36.8 | Very low | 38.9 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -101.3 | 149.4 | -165.8 | 39.9 | 0 | 0 | 0 | 0 | 112.7 | L1273 | L1273-T1275 HydrophobicContact CD2-CG2 4.46Š|
| 1276 | G | 39.4 | Very low | 39.1 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 81% | 0.806 | S | S | * | * | | | trans | -178.2 | 94.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1277 | V | 40.2 | Very low | 39.1 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | | | trans | 42.4 | 108.5 | 156.6 | -165.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1278 | L | 38.5 | Very low | 39.4 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | | | trans | -106 | 122.4 | 165 | -72.7 | 176.8 | 0 | 0 | 0 | 111 | L1280 | L1278-L1280 HydrophobicContact CB-CD1 4.02Å; L1278-L1280 HydrophobicContact CD1-CD1 4.43Å |
| 1279 | S | 44.2 | Very low | 39.7 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 84% | 0.839 | 83% | 0.827 | S | S | * | * | | | trans | -95.2 | 121 | 163.9 | -177.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1280 | L | 42.3 | Very low | 40 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 79% | 0.785 | 83% | 0.827 | S | S | * | * | | | trans | -118.7 | 90.6 | -173.6 | -114.3 | 78.2 | 0 | 0 | 0 | 112.6 | L1278 K1282 | L1278-L1280 HydrophobicContact CB-CD1 4.02Å; L1278-L1280 HydrophobicContact CD1-CD1 4.43Å; L1280-K1282 PolarHBondContact O-N 3.43Å |
| 1281 | G | 38.7 | Very low | 39.9 | Very low | 73 Ų | 73 | 147.7 Ų | 147.7 | 75% | 0.753 | 83% | 0.83 | S | S | * | * | | | trans | -94.9 | 86.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1282 | K | 40.3 | Very low | 40.3 | Very low | 196 Ų | 196 | 148.7 Ų | 148.7 | 85% | 0.852 | 83% | 0.834 | S | S | * | * | | | trans | 63.2 | 126.1 | 155 | -55 | 178.1 | 178.6 | 176.2 | 0 | 119.2 | L1280 | L1280-K1282 PolarHBondContact O-N 3.43Š|
| 1283 | K | 49 | Very low | 40.2 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | 104 | 143.8 | 149.9 | -53.6 | -167.3 | -177.3 | -175.1 | 0 | 120 | | |
| 1284 | A | 39.9 | Very low | 40.4 | Very low | 90 Ų | 90 | 147.4 Ų | 147.4 | 74% | 0.744 | 83% | 0.829 | S | S | * | * | | | trans | 83.7 | 109.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1285 | L | 40.3 | Very low | 40.7 | Very low | 164 Ų | 164 | 149 Ų | 149 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | | | trans | 20.3 | 126.8 | 146.7 | -62.5 | 103.9 | 0 | 0 | 0 | 120.7 | | |
| 1286 | L | 40.1 | Very low | 40.5 | Very low | 170 Ų | 170 | 150 Ų | 150 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | | | | -162.2 | 153.7 | 113.3 | -106.7 | 159.2 | 0 | 0 | 0 | 112.2 | | |
| 1287 | K | 39.5 | Very low | 40.3 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 87% | 0.87 | 82% | 0.824 | S | S | * | * | | | trans | -112.2 | 117.2 | 180 | -68.3 | 172.6 | 178.5 | 172.3 | 0 | 110.2 | | |
| 1288 | S | 46.6 | Very low | 40.1 | Very low | 119 Ų | 119 | 151.4 Ų | 151.4 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -156.9 | 136 | 162.4 | 49.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1289 | Q | 42.4 | Very low | 40.1 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | | | trans | -89.6 | 133 | 174.2 | -63.5 | 174.8 | -6.2 | 0 | 0 | 110.2 | | |
| 1290 | T | 42.2 | Very low | 39.7 | Very low | 138 Ų | 138 | 150.6 Ų | 150.6 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -141.1 | 120.6 | 147.2 | 45.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1291 | K | 37 | Very low | 39.5 | Very low | 189 Ų | 189 | 152.2 Ų | 152.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -98.6 | 111.3 | 179.5 | 179.6 | 176.6 | -179.5 | 172.2 | 0 | 109.1 | | |
| 1292 | L | 42.3 | Very low | 39.4 | Very low | 174 Ų | 174 | 156.3 Ų | 156.3 | 91% | 0.911 | 82% | 0.817 | S | S | * | * | | | trans | -106 | 147.9 | 167 | -70.6 | 178.6 | 0 | 0 | 0 | 110.1 | | |
| 1293 | Q | 37.6 | Very low | 39.3 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | | | trans | -141.9 | 118.3 | -165.1 | 173.8 | -176.9 | -10.9 | 0 | 0 | 108.8 | | |
| 1294 | T | 38.3 | Very low | 38.6 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | | | trans | -129.2 | 136.2 | 171.9 | 37.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1295 | Q | 39.7 | Very low | 38.4 | Very low | 151 Ų | 151 | 148.9 Ų | 148.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | | | trans | -132.5 | 125.7 | -167.3 | -175.7 | 176 | 11 | 0 | 0 | 110.9 | | |
| 1296 | I | 31.9 | Very low | 38.1 | Very low | 150 Ų | 150 | 151.9 Ų | 151.9 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | | | trans | 13.8 | 117.1 | 154 | -48.9 | 172.7 | 0 | 0 | 0 | 116.5 | | |
| 1297 | V | 35.4 | Very low | 37.7 | Very low | 119 Ų | 119 | 147 Ų | 147 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | | | trans | -134.3 | 111.5 | 156.6 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1298 | V | 35.8 | Very low | 37.8 | Very low | 122 Ų | 122 | 147 Ų | 147 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | trans | -128.6 | 112.7 | 165.7 | 178.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1299 | C | 39.7 | Very low | 37 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | | | trans | -111 | 88.6 | -170.5 | -76.4 | 0 | 0 | 0 | 0 | 112.3 | K1301 | C1299-K1301 PolarHBondContact O-N 3.35Š|
| 1300 | N | 34.6 | Very low | 36.7 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | trans | -77.3 | 114.8 | 170.1 | -83.3 | -23.7 | 0 | 0 | 0 | 111.8 | | |
| 1301 | K | 38.6 | Very low | 36.2 | Very low | 184 Ų | 184 | 148.2 Ų | 148.2 | 80% | 0.8 | 79% | 0.789 | S | S | * | * | | | trans | 160.6 | 114.7 | 130.2 | -88.1 | 162.4 | -177.3 | 176 | 0 | 115 | C1299 | C1299-K1301 PolarHBondContact O-N 3.35Š|
| 1302 | L | 36.1 | Very low | 35.8 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | trans | 64.1 | 165 | 134.1 | -67 | 163.5 | 0 | 0 | 0 | 119.7 | | |
| 1303 | P | 38.8 | Very low | 35.3 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | cis | -124.4 | 168.1 | -7.9 | 38 | -23.1 | 0 | 0 | 0 | 115.4 | | |
| 1304 | S | 34.2 | Very low | 35.1 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -53.4 | 145.6 | 168.2 | 170.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1305 | N | 36 | Very low | 34.9 | Very low | 118 Ų | 118 | 137 Ų | 137 | 63% | 0.631 | 77% | 0.772 | S | S | * | * | | | | -168.5 | 125.5 | 128.3 | -112 | -90.6 | 0 | 0 | 0 | 114.4 | | |
| 1306 | R | 34 | Very low | 34.8 | Very low | 226 Ų | 226 | 136.9 Ų | 136.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | 38 | 99.7 | 144.3 | -59.5 | 172.7 | 174.8 | 138.5 | -9.5 | 117.8 | | |
| 1307 | G | 31.7 | Very low | 35 | Very low | 69 Ų | 69 | 139.8 Ų | 139.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | | 92.6 | 170.2 | 64 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1308 | K | 40.5 | Very low | 35 | Very low | 199 Ų | 199 | 141.1 Ų | 141.1 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | | | trans | 81.3 | 102.7 | -173.6 | -53.4 | 169.2 | -175 | 173.4 | 0 | 113.9 | | |
| 1309 | T | 30.2 | Very low | 35.4 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | | | | 64 | 101.1 | 69.9 | 71 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1310 | T | 36.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 93% | 0.933 | 77% | 0.773 | S | S | * | * | | | trans | -158.6 | 158.9 | 137.4 | 13.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1311 | K | 32.3 | Very low | 35 | Very low | 196 Ų | 196 | 143.6 Ų | 143.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | -109.2 | 167.1 | -173.5 | -63.2 | -176.8 | 177.6 | -175.8 | 0 | 112.6 | | |
| 1312 | S | 28.3 | Very low | 34.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | 75.3 | 136.7 | 140 | 59.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1313 | A | 31 | Very low | 34.6 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | 75.2 | 145.9 | 151 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1314 | S | 33.3 | Very low | 34.3 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | cis | -172.2 | 165 | -19.9 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1315 | T | 34.2 | Very low | 33.9 | Very low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | 83.4 | 147.6 | 150.3 | -40.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1316 | L | 38.3 | Very low | 33.9 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | 88.3 | 140.3 | 172.6 | -52.6 | 175.2 | 0 | 0 | 0 | 116.8 | | |
| 1317 | R | 35.8 | Very low | 34 | Very low | 212 Ų | 212 | 146 Ų | 146 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | cis | -177.1 | 115.6 | -37.1 | -119.7 | -170.2 | -170.5 | -161 | 4.9 | 109 | | |
| 1318 | N | 35.2 | Very low | 34.1 | Very low | 147 Ų | 147 | 148.6 Ų | 148.6 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | 57.3 | 161.6 | 142.9 | -69.6 | 43.2 | 0 | 0 | 0 | 121.9 | | |
| 1319 | P | 43.6 | Very low | 33.6 | Very low | 98 Ų | 98 | 146.7 Ų | 146.7 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | | | cis | -144.4 | 179.5 | -32.1 | 39 | -20.2 | 0 | 0 | 0 | 116.4 | | |
| 1320 | L | 36 | Very low | 33.6 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | | | trans | 72.8 | 140.1 | 163.7 | -48.3 | -179.9 | 0 | 0 | 0 | 117.3 | | |
| 1321 | F | 31.1 | Very low | 33.6 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | cis | -117.6 | 157.1 | -3.9 | -80.4 | -96.3 | 0 | 0 | 0 | 110.9 | | |
| 1322 | S | 33.4 | Very low | 33.4 | Very low | 89 Ų | 89 | 144.4 Ų | 144.4 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | | | trans | -141.8 | 138.2 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 110 | | |
| 1323 | N | 31.4 | Very low | 33.5 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | trans | -69.4 | 141.8 | 169.8 | -68.9 | -26 | 0 | 0 | 0 | 109.5 | | |
| 1324 | Y | 32.8 | Very low | 33.7 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | | | trans | -125.4 | 121.3 | 177.9 | -90.9 | -83.8 | 0 | 0 | 0 | 110.5 | L1326 | Y1324-L1326 HydrophobicContact CD1-CD1 4.21Š|
| 1325 | F | 27.2 | Very low | 33.6 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -100.5 | 104.8 | 170.4 | -170.8 | -84.4 | 0 | 0 | 0 | 107.7 | | |
| 1326 | L | 35.4 | Very low | 33.5 | Very low | 146 Ų | 146 | 149.3 Ų | 149.3 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -144.9 | 129.9 | 179.5 | -82 | 177.9 | 0 | 0 | 0 | 112.3 | Y1324 | Y1324-L1326 HydrophobicContact CD1-CD1 4.21Š|
| 1327 | Q | 35.7 | Very low | 33.3 | Very low | 157 Ų | 157 | 151 Ų | 151 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 146.4 | 171.5 | -60 | 171.7 | -38.4 | 0 | 0 | 111.6 | | |
| 1328 | P | 34.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 123.3 | 152.7 | 5.5 | 15.1 | 0 | 0 | 0 | 110.4 | | |
| 1329 | K | 29.4 | Very low | 33.4 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 137.9 | 174.1 | -80.5 | -171.5 | 173.3 | -174.2 | 0 | 112.4 | H1331 | K1329-H1331 PolarHBondContact O-ND1 2.98Š|
| 1330 | S | 31.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 145 Ų | 145 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | | | trans | 35.5 | 113.1 | 146.8 | 62.8 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1331 | H | 34.7 | Very low | 33.1 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | | | trans | -158.5 | 80.9 | 153.9 | 29.6 | -79.9 | 0 | 0 | 0 | 113.9 | K1329 | K1329-H1331 PolarHBondContact O-ND1 2.98Š|
| 1332 | N | 28.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | 33.4 | 133.9 | 132.7 | -70.3 | -24.8 | 0 | 0 | 0 | 122.1 | | |
| 1333 | L | 30.5 | Very low | 33.8 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | 110.8 | 146.3 | 152.2 | -62.6 | 169.1 | 0 | 0 | 0 | 118.1 | | |
| 1334 | P | 36.8 | Very low | 34.3 | Very low | 100 Ų | 100 | 145 Ų | 145 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | | | trans | -136.6 | -153.2 | -144.4 | 32.5 | -6.2 | 0 | 0 | 0 | 114.9 | | |
| 1335 | I | 29.7 | Very low | 34.6 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | | | trans | 86.1 | 139.7 | 158 | -64 | 159.4 | 0 | 0 | 0 | 117.4 | | |
| 1336 | N | 33.3 | Very low | 35 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | | | cis | -170.7 | 161.5 | -19.1 | -100.5 | 10.8 | 0 | 0 | 0 | 112.1 | | |
| 1337 | E | 34.3 | Very low | 35.3 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | 66 | 147.4 | 139.7 | -71.9 | 166.3 | -106.7 | 0 | 0 | 127.9 | | |
| 1338 | G | 36.7 | Very low | 35.6 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | 114.2 | 105.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1339 | V | 35.2 | Very low | 35.9 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | cis | 74.2 | 121.7 | 42.2 | -160 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1340 | T | 37.8 | Very low | 36.5 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | | -168.1 | 173.5 | 75.8 | 50.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1341 | N | 36.1 | Very low | 36.8 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | trans | -101.7 | -174.1 | -170.8 | -26.6 | -67.8 | 0 | 0 | 0 | 117.4 | | |
| 1342 | D | 40.8 | Very low | 36.9 | Very low | 164 Ų | 164 | 133 Ų | 133 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -179.2 | 168.2 | 132.8 | -90.2 | -13.2 | 0 | 0 | 0 | 115.3 | | |
| 1343 | T | 37.3 | Very low | 37.2 | Very low | 136 Ų | 136 | 133 Ų | 133 | 83% | 0.834 | 76% | 0.759 | S | S | * | * | | | trans | -145 | -172.7 | -157.4 | 61.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1344 | D | 41.6 | Very low | 37.4 | Very low | 146 Ų | 146 | 131 Ų | 131 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | 95.1 | 144.2 | 151.8 | -159.7 | 91.2 | 0 | 0 | 0 | 121.7 | | |
| 1345 | S | 39.8 | Very low | 37.3 | Very low | 73 Ų | 73 | 130.5 Ų | 130.5 | 51% | 0.51 | 75% | 0.753 | S | S | . | * | | | cis | -172.9 | 172.7 | -32.6 | 70.6 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1346 | N | 36.6 | Very low | 37.6 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | | | trans | 86.7 | 124.6 | 137.8 | -86.1 | -58.1 | 0 | 0 | 0 | 129.3 | | |
| 1347 | S | 40.3 | Very low | 37.6 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 86.9 | 158.9 | 136.1 | 76.5 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1348 | K | 43.2 | Very low | 37.8 | Very low | 187 Ų | 187 | 127.7 Ų | 127.7 | 81% | 0.813 | 75% | 0.75 | S | S | * | * | | | cis | -179 | 152.5 | -32.8 | -174.5 | 149.9 | -176 | 167.2 | 0 | 115 | | |
| 1349 | V | 39.9 | Very low | 37.7 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 74% | 0.739 | 75% | 0.749 | S | S | * | * | | | trans | 64.8 | 166.1 | 163.7 | -67.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1350 | D | 41.8 | Very low | 38 | Very low | 138 Ų | 138 | 130.9 Ų | 130.9 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | cis | -162.9 | 160.3 | 12.4 | -144.3 | -32 | 0 | 0 | 0 | 117.3 | | |
| 1351 | S | 38.1 | Very low | 38.1 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | 69.5 | 160.6 | 149.6 | 74.6 | 0 | 0 | 0 | 0 | 125.8 | | |
| 1352 | V | 36.9 | Very low | 38.4 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | cis | -173.2 | 153.1 | -46 | 100.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1353 | I | 33.9 | Very low | 38.1 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 80% | 0.795 | 75% | 0.745 | S | S | * | * | | | trans | 73.1 | 165.8 | 158.7 | -82.1 | 171.7 | 0 | 0 | 0 | 122.9 | | |
| 1354 | V | 34.8 | Very low | 38.2 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.737 | S | S | * | * | | | | -175.5 | 166.3 | -60.3 | 102.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1355 | S | 35.7 | Very low | 38.1 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | trans | 112 | 113.4 | 145.8 | -136 | 0 | 0 | 0 | 0 | 126.5 | | |
| 1356 | T | 35.4 | Very low | 37.9 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | | 64.6 | 154.8 | 129.2 | 52.8 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1357 | N | 34.5 | Very low | 38 | Very low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | cis | -174.9 | 173.9 | -21.1 | -118 | 59.2 | 0 | 0 | 0 | 115.7 | | |
| 1358 | N | 37.7 | Very low | 37.6 | Very low | 128 Ų | 128 | 134.2 Ų | 134.2 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | trans | 90.5 | 118.4 | 145.9 | -73 | 9.2 | 0 | 0 | 0 | 128 | | |
| 1359 | N | 35.4 | Very low | 37.4 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 67% | 0.668 | 74% | 0.74 | S | S | * | * | | | | 95 | 139.8 | 119.3 | -82.9 | 44 | 0 | 0 | 0 | 130.3 | | |
| 1360 | D | 40.2 | Very low | 37.2 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | trans | 86.6 | 161.7 | 142.3 | -59.7 | -30 | 0 | 0 | 0 | 126.4 | | |
| 1361 | K | 40.5 | Very low | 37 | Very low | 200 Ų | 200 | 131.1 Ų | 131.1 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | | | trans | -149 | -151.4 | -158.8 | -56 | -179.7 | -177 | 174.9 | 0 | 110.7 | | |
| 1362 | P | 42.8 | Very low | 37 | Very low | 108 Ų | 108 | 133.4 Ų | 133.4 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | cis | -145.3 | -171.2 | -13.8 | 44.8 | -24.9 | 0 | 0 | 0 | 118.1 | | |
| 1363 | I | 33.5 | Very low | 36.8 | Very low | 166 Ų | 166 | 135.1 Ų | 135.1 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | | | trans | 84.7 | 151.5 | 146.7 | -79.5 | 162.7 | 0 | 0 | 0 | 123.8 | | |
| 1364 | A | 40.3 | Very low | 37.1 | Very low | 81 Ų | 81 | 132.2 Ų | 132.2 | 67% | 0.669 | 74% | 0.74 | S | S | * | * | | | trans | -109.6 | -172.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1365 | P | 39.8 | Very low | 37.1 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | | -164.1 | 141.2 | 106.1 | 39.6 | -17.7 | 0 | 0 | 0 | 122.2 | | |
| 1366 | V | 34 | Very low | 37.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 69% | 0.691 | 75% | 0.745 | S | S | * | * | | | | 34 | 151.3 | 126.9 | -149.1 | 0 | 0 | 0 | 0 | 125.3 | F1368 | V1366-F1368 HydrophobicContact CG1-CE1 4.27Š|
| 1367 | K | 39 | Very low | 37.4 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | 110.9 | 147.8 | 145.3 | -59.3 | 172.3 | -173.2 | 168.3 | 0 | 118 | | |
| 1368 | F | 32.4 | Very low | 37.6 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | cis | -175.8 | 168 | -20.3 | -94.7 | -18.7 | 0 | 0 | 0 | 112.3 | V1366 | V1366-F1368 HydrophobicContact CG1-CE1 4.27Š|
| 1369 | N | 39.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 137.3 Ų | 137.3 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | | | trans | 86.4 | 163.3 | 155.8 | -59.2 | -45.3 | 0 | 0 | 0 | 122.5 | | |
| 1370 | N | 34.7 | Very low | 37.3 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 70% | 0.695 | 74% | 0.743 | S | S | * | * | | | cis | -178.3 | 159.5 | -39.7 | -159.6 | 0.9 | 0 | 0 | 0 | 113 | | |
| 1371 | V | 37.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | | | trans | 49.8 | 131.5 | 158.2 | -80 | 0 | 0 | 0 | 0 | 125 | | |
| 1372 | N | 38.8 | Very low | 36.9 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | | | | 173.6 | 158.9 | 99.3 | -94 | -63.9 | 0 | 0 | 0 | 116.7 | | |
| 1373 | N | 32.5 | Very low | 36.7 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | trans | -100.6 | 157 | 176.7 | -70.2 | -42.5 | 0 | 0 | 0 | 113.6 | | |
| 1374 | A | 39.6 | Very low | 36.9 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | | | trans | -179.4 | 107.1 | 138.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1375 | V | 36.4 | Very low | 36.5 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | | | | 37.9 | 144.9 | 128.7 | -140.8 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1376 | N | 39.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 136.6 Ų | 136.6 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | | | trans | 84.4 | 148.8 | 162 | -35.8 | -78.1 | 0 | 0 | 0 | 116.8 | | |
| 1377 | D | 38.2 | Very low | 36 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | cis | -160.8 | 169 | 2 | -148.4 | -11.6 | 0 | 0 | 0 | 114.4 | | |
| 1378 | V | 38.8 | Very low | 35.7 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 64% | 0.642 | 72% | 0.716 | S | S | * | * | | | trans | 76.7 | 112 | 142 | 145.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 1379 | R | 33.5 | Very low | 35.5 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | | | trans | 84.3 | 108.7 | 137 | -74.9 | -178 | 169.4 | -171.3 | -5 | 125.3 | | |
| 1380 | F | 32.8 | Very low | 35.3 | Very low | 143 Ų | 143 | 132.7 Ų | 132.7 | 63% | 0.627 | 72% | 0.715 | S | S | * | * | | | | 100 | 131.5 | 108.5 | -78.6 | -19.6 | 0 | 0 | 0 | 123.2 | | |
| 1381 | Q | 37.7 | Very low | 35 | Very low | 150 Ų | 150 | 137 Ų | 137 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | trans | 67.6 | 100.9 | 144.8 | -67.9 | 171.2 | 60.1 | 0 | 0 | 115.9 | | |
| 1382 | T | 33.8 | Very low | 34.8 | Very low | 70 Ų | 70 | 141.3 Ų | 141.3 | 43% | 0.429 | 73% | 0.733 | S | S | . | * | | | cis | 71.4 | 115.5 | 48.2 | -43.1 | 0 | 0 | 0 | 0 | 114.1 | H879 | H879-T1382 WeakPolarHBondContact CE1-CG2 3.48Å; H879-T1382 PolarHBondContact CE1-OG1 3.03Å; H879-T1382 VanDerWaalsContact CE1-OG1 3.29Å |
| 1383 | I | 38.6 | Very low | 34.6 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | | | | -172 | 153.6 | 124.7 | -93.6 | 154.4 | 0 | 0 | 0 | 109.6 | | |
| 1384 | R | 37.2 | Very low | 34.6 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 54% | 0.543 | 73% | 0.731 | S | S | . | * | | | trans | -95.3 | 161.9 | -167.8 | -55.5 | 173.7 | 177 | 177 | 0.5 | 113.7 | D877 S878 | D877-R1384 WeakPolarHBondContact OD2-CD 3.32Å; D877-R1384 IonicContact OD2-CZ 3.71Å; D877-R1384 IonicContact OD2-NE 2.91Å; D877-R1384 PolarHBondContact OD2-NE 2.89Å; D877-R1384 IonicContact OD2-NH1 3.95Å; D877-R1384 PolarHBondContact OD2-NH1 2.66Å; D877-R1384 IonicContact OD2-NH2 3.9Å; S878-R1384 PolarHBondContact OG-NE 2.78Å; S878-R1384 PolarHBondContact OG-NH2 2.73Å |
| 1385 | R | 32.9 | Very low | 34.4 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | | | trans | 45.2 | 153.9 | 142.9 | -80.3 | -166.1 | -167.9 | 70.6 | 4.7 | 121.9 | D877 | D877-R1385 IonicContact OD1-CZ 3.55Å; D877-R1385 VanDerWaalsContact OD1-CZ 3.23Å; D877-R1385 IonicContact OD1-NH1 3.74Å; D877-R1385 PolarHBondContact OD1-NH1 2.87Å; D877-R1385 IonicContact OD1-NH2 3.63Å; D877-R1385 PolarHBondContact OD1-NH2 2.71Å; D877-R1385 IonicContact OD2-CZ 2.73Å; D877-R1385 IonicContact OD2-NH1 3.23Å; D877-R1385 PolarHBondContact OD2-NH1 3.31Å; D877-R1385 IonicContact OD2-NH2 3.18Å |
| 1386 | G | 32.9 | Very low | 34.4 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | 112.2 | 119.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1387 | S | 31.2 | Very low | 34.7 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | | | cis | 63.6 | 138.1 | 41.7 | -162.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1388 | L | 31.1 | Very low | 34.9 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | | | trans | 76.9 | 96 | 176.5 | -48.5 | -177.8 | 0 | 0 | 0 | 118.9 | | |
| 1389 | L | 29.3 | Very low | 34.8 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 83% | 0.827 | 72% | 0.722 | S | S | * | * | | | trans | 66.5 | 175.6 | 132.7 | -81.2 | 69.9 | 0 | 0 | 0 | 119.4 | | |
| 1390 | S | 34.1 | Very low | 34.9 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | | | trans | 66.6 | 122.3 | 179.2 | -75.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1391 | R | 29.8 | Very low | 35.2 | Very low | 221 Ų | 221 | 132.8 Ų | 132.8 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | | | cis | 40.1 | 75 | 48.5 | -65.2 | -166.4 | -169.5 | 154.3 | 8.2 | 114.4 | | |
| 1392 | F | 33.8 | Very low | 35.1 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | | | trans | -165.2 | 109.8 | 138.6 | -78.9 | -60.8 | 0 | 0 | 0 | 106.2 | | |
| 1393 | A | 33 | Very low | 35.1 | Very low | 97 Ų | 97 | 135.9 Ų | 135.9 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | | 70.8 | 99.1 | 63 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1394 | G | 33.6 | Very low | 35.1 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | trans | 106.6 | 116.4 | 141 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1395 | G | 35.2 | Very low | 35 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | | | trans | 90.7 | 158.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1396 | L | 37 | Very low | 35.2 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | | | cis | -133.2 | 136.6 | -0 | -90.1 | 97.4 | 0 | 0 | 0 | 114.3 | | |
| 1397 | V | 44.3 | Very low | 35.2 | Very low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | | | trans | -54.3 | 138.9 | 159.8 | 164.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1398 | P | 42.8 | Very low | 35.5 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | | -143.8 | 134.6 | 102 | 34.6 | -18.2 | 0 | 0 | 0 | 115.1 | Y1400 | P1398-Y1400 HydrophobicContact CB-CE2 3.97Š|
| 1399 | G | 36.2 | Very low | 35.9 | Very low | 43 Ų | 43 | 127.2 Ų | 127.2 | 44% | 0.443 | 72% | 0.716 | S | S | . | * | | | cis | 154.1 | -175.6 | -7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1400 | Y | 36 | Very low | 36.3 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 80% | 0.796 | 71% | 0.714 | S | S | * | * | | | trans | 72.1 | 129.9 | 162.9 | -27.4 | -68.9 | 0 | 0 | 0 | 115.2 | P1398 | P1398-Y1400 HydrophobicContact CB-CE2 3.97Š|
| 1401 | K | 38.3 | Very low | 36.6 | Very low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 72% | 0.717 | S | S | * | * | | | cis | -154.3 | 130 | 13.6 | -72.6 | -164 | 179.5 | -178.9 | 0 | 110.1 | | |
| 1402 | S | 36.1 | Very low | 37.1 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | | 62.6 | 142.2 | 94 | 80.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1403 | E | 33.7 | Very low | 37.5 | Very low | 186 Ų | 186 | 121 Ų | 121 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | | | cis | -168.6 | 176.2 | -7.8 | -108.9 | -169.9 | 117.6 | 0 | 0 | 110.4 | | |
| 1404 | P | 39.7 | Very low | 38 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | | | trans | -130.2 | 179 | -155.4 | 47 | -35.8 | 0 | 0 | 0 | 120.3 | | |
| 1405 | T | 34.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 57% | 0.571 | 71% | 0.706 | S | S | * | * | | | trans | 46.1 | 137 | 146.5 | -51.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 1406 | Q | 36.7 | Very low | 38.3 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 76% | 0.757 | 70% | 0.703 | S | S | * | * | | | trans | -159.7 | 103 | 151.2 | -152.7 | 157.1 | 113.6 | 0 | 0 | 119.3 | N1226 | N1226-Q1406 PolarHBondContact ND2-O 3.16Š|
| 1407 | I | 32.7 | Very low | 38.3 | Very low | 61 Ų | 61 | 124.7 Ų | 124.7 | 31% | 0.313 | 70% | 0.696 | S | S | . | * | | | trans | 26.2 | 135.2 | 131.8 | -55.1 | 169.1 | 0 | 0 | 0 | 124.1 | E1224 N1225 N1226 | E1224-I1407 HydrophobicContact CB-CG1 4.17Å; E1224-I1407 WeakPolarHBondContact OE1-CG2 3.16Å; E1224-I1407 VanDerWaalsContact OE2-CD1 3.3Å; E1224-I1407 WeakPolarHBondContact OE2-CD1 3.38Å; N1225-I1407 HydrophobicContact CB-CB 4.46Å; N1225-I1407 HydrophobicContact CB-CG1 4.31Å; N1226-I1407 PolarHBondContact ND2-N 3.34Å; N1226-I1407 PolarHBondContact ND2-O 3.24Å |
| 1408 | H | 37.4 | Very low | 38.1 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 61% | 0.611 | 70% | 0.697 | S | S | * | * | | | trans | 139.1 | 157.1 | 144.8 | -84.8 | -72.2 | 0 | 0 | 0 | 116.2 | N1226 | N1226-H1408 PolarHBondContact ND2-N 2.94Š|
| 1409 | S | 39.6 | Very low | 37.7 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 62% | 0.615 | 71% | 0.706 | S | S | * | * | | | cis | 177.6 | 155.3 | -46.4 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1410 | N | 39 | Very low | 37.7 | Very low | 148 Ų | 148 | 126.5 Ų | 126.5 | 79% | 0.791 | 72% | 0.715 | S | S | * | * | | | trans | 91.9 | 114.6 | 151 | -85.5 | 15.2 | 0 | 0 | 0 | 126.7 | | |
| 1411 | V | 39.5 | Very low | 37.8 | Very low | 120 Ų | 120 | 126 Ų | 126 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | 24 | 153.4 | 131.5 | -77.4 | 0 | 0 | 0 | 0 | 125 | | |
| 1412 | N | 40.5 | Very low | 37.7 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | | | | -177.7 | 165.2 | 68.6 | -131.6 | 35.1 | 0 | 0 | 0 | 116.3 | | |
| 1413 | D | 42.6 | Very low | 37.7 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | | | trans | 50.5 | 152.4 | 154.5 | -46.1 | -35.1 | 0 | 0 | 0 | 124 | | |
| 1414 | G | 42.1 | Very low | 37.9 | Very low | 73 Ų | 73 | 119.9 Ų | 119.9 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | | | cis | 136.6 | 113.9 | -15.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1415 | F | 37.8 | Very low | 37.8 | Very low | 208 Ų | 208 | 124 Ų | 124 | 91% | 0.912 | 71% | 0.705 | S | S | * | * | | | trans | -161.4 | -178.5 | 160.1 | -152.4 | -111 | 0 | 0 | 0 | 116.3 | | |
| 1416 | D | 37.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -150.1 | 160.5 | -147 | -178.7 | 34.8 | 0 | 0 | 0 | 118.3 | | |
| 1417 | A | 37.2 | Very low | 37.8 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | | | trans | 70.3 | 134.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 126.6 | | |
| 1418 | G | 40.2 | Very low | 37.9 | Very low | 73 Ų | 73 | 130.7 Ų | 130.7 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | | | trans | 176.2 | 140.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1419 | T | 35 | Very low | 37.7 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 86% | 0.859 | 73% | 0.733 | S | S | * | * | | | trans | -151.4 | 156.9 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1420 | S | 35.4 | Very low | 37.3 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | | | | 121.9 | 143.8 | 129.8 | 80 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1421 | K | 38.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 132.8 Ų | 132.8 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | trans | 73.7 | 162.7 | 148.6 | -76.4 | 167.6 | -177 | 166.6 | 0 | 120.9 | | |
| 1422 | S | 36.4 | Very low | 37 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | | | cis | 170.2 | 161.6 | -23.8 | 61.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1423 | E | 36.2 | Very low | 36.7 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | | | cis | -166.1 | 145.6 | -14.5 | 170.3 | -86.3 | 134.9 | 0 | 0 | 106.5 | R1425 | E1423-R1425 PolarHBondContact OE1-N 3.27Š|
| 1424 | S | 37.5 | Very low | 36.2 | Very low | 89 Ų | 89 | 137.9 Ų | 137.9 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | | | trans | -170.4 | 115.1 | 159.9 | 179 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1425 | R | 36.7 | Very low | 36.1 | Very low | 190 Ų | 190 | 139 Ų | 139 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | trans | 52 | 130.8 | 132.5 | -51.5 | 168.9 | -164.3 | -168.6 | 3 | 120.2 | E1423 | E1423-R1425 PolarHBondContact OE1-N 3.27Š|
| 1426 | R | 33 | Very low | 36.1 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 72% | 0.717 | 73% | 0.728 | S | S | * | * | | | cis | 79 | 116.6 | 36.8 | -163.7 | -151 | -52.8 | 129.3 | 5.2 | 114.9 | | |
| 1427 | D | 38 | Very low | 36.3 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 66% | 0.658 | 73% | 0.728 | S | S | * | * | | | trans | 143.8 | 154.8 | 149.9 | -80.3 | -14.2 | 0 | 0 | 0 | 110.6 | | |
| 1428 | Q | 35.7 | Very low | 36.2 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | | | cis | -177.9 | 161.3 | -34 | -124.1 | -175.9 | 97.4 | 0 | 0 | 106.3 | | |
| 1429 | T | 32.5 | Very low | 36.2 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | 62.3 | 164.9 | 162.5 | 52.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1430 | H | 32.6 | Very low | 36.1 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 70% | 0.704 | 72% | 0.722 | S | S | * | * | | | cis | -177 | 173.3 | -24.1 | 174.7 | -126 | 0 | 0 | 0 | 105.2 | | |
| 1431 | L | 38.5 | Very low | 36.3 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | | | trans | 70.3 | 148.2 | 174.9 | -51 | 176.3 | 0 | 0 | 0 | 115.1 | | |
| 1432 | D | 32.7 | Very low | 36.3 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | | | cis | -158 | 172.9 | -30.8 | -133.3 | -12.8 | 0 | 0 | 0 | 112.3 | | |
| 1433 | L | 34.1 | Very low | 36.5 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | | | trans | -7.3 | 153.2 | 146.3 | -61.5 | 162.4 | 0 | 0 | 0 | 119.7 | | |
| 1434 | R | 32.9 | Very low | 36.5 | Very low | 238 Ų | 238 | 136.6 Ų | 136.6 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | | | trans | 84.4 | 148.7 | 168.2 | -51.2 | 154.5 | 165.7 | -153.1 | -5.4 | 113 | | |
| 1435 | S | 39.1 | Very low | 36.5 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | | | cis | -146.5 | 139.8 | 10.5 | -156.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1436 | K | 38.7 | Very low | 36.3 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | | | | 28.6 | 125.2 | 85.2 | -52 | -177.5 | 178.8 | -176 | 0 | 111.7 | | |
| 1437 | V | 41.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | | | | -162.6 | 139.5 | 56.5 | 167.3 | 0 | 0 | 0 | 0 | 103.9 | L1439 | V1437-L1439 HydrophobicContact CG1-CB 4.5Å; V1437-L1439 HydrophobicContact CG1-CD1 4.05Å; V1437-L1439 HydrophobicContact CG1-CG 3.75Å |
| 1438 | G | 34.4 | Very low | 36.4 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 73% | 0.731 | S | S | * | * | | | cis | 92 | 174.3 | 35.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1439 | L | 40 | Very low | 36.1 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | | | trans | 67 | 104.1 | -175 | -48.3 | 177 | 0 | 0 | 0 | 112.2 | V1437 | V1437-L1439 HydrophobicContact CG1-CB 4.5Å; V1437-L1439 HydrophobicContact CG1-CD1 4.05Å; V1437-L1439 HydrophobicContact CG1-CG 3.75Å |
| 1440 | S | 34.7 | Very low | 36.4 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 73% | 0.732 | S | S | * | * | | | cis | 62.3 | 105.9 | 43.2 | -165.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1441 | C | 39.5 | Very low | 36.5 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | | | trans | -140.8 | 98.2 | 160.5 | -89 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1442 | F | 37.7 | Very low | 36.5 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 80% | 0.803 | 73% | 0.732 | S | S | * | * | | | trans | 64 | 129.3 | 139.3 | -60.4 | -66.5 | 0 | 0 | 0 | 119.6 | | |
| 1443 | S | 41.5 | Very low | 36.8 | Very low | 91 Ų | 91 | 134.9 Ų | 134.9 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -151.3 | 147.5 | -1.6 | -56.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1444 | V | 34.3 | Very low | 37.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | | | | 44.4 | 109.4 | 72.9 | -162.9 | 0 | 0 | 0 | 0 | 111.1 | T1446 | V1444-T1446 HydrophobicContact CG1-CG2 4.36Š|
| 1445 | V | 38.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | | -158.8 | 108 | 78.3 | 159.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1446 | T | 32.7 | Very low | 37.4 | Very low | 110 Ų | 110 | 129 Ų | 129 | 68% | 0.675 | 73% | 0.727 | S | S | * | * | | | | 56.7 | 111.3 | 81.2 | 66.9 | 0 | 0 | 0 | 0 | 117 | V1444 | V1444-T1446 HydrophobicContact CG1-CG2 4.36Š|
| 1447 | A | 31.8 | Very low | 37.6 | Very low | 82 Ų | 82 | 128.4 Ų | 128.4 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | trans | 55.9 | 118.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 1448 | Q | 40.4 | Very low | 37.7 | Very low | 176 Ų | 176 | 129.3 Ų | 129.3 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | | -146.7 | 124.9 | 108.4 | -58.8 | -163.1 | 16.1 | 0 | 0 | 105.5 | | |
| 1449 | I | 30.9 | Very low | 38.1 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | | | cis | 54.7 | 88.6 | 49.9 | -50.4 | -179 | 0 | 0 | 0 | 112 | | |
| 1450 | K | 37.5 | Very low | 38.1 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 77% | 0.774 | 73% | 0.727 | S | S | * | * | | | trans | -166.3 | 98.8 | 153.1 | -114.9 | 178.6 | -178 | -168.7 | 0 | 112.6 | | |
| 1451 | P | 36.2 | Very low | 38.3 | Very low | 111 Ų | 111 | 129.3 Ų | 129.3 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | | | trans | -92.9 | 137.3 | 159 | 34.1 | -28.8 | 0 | 0 | 0 | 110.6 | | |
| 1452 | E | 38 | Very low | 38.3 | Very low | 142 Ų | 142 | 129.5 Ų | 129.5 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | | | trans | -129.6 | 112.8 | 156.9 | -63.1 | -155.9 | 96.7 | 0 | 0 | 106.1 | | |
| 1453 | K | 38.6 | Very low | 38.2 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | | | | 65.5 | 128.4 | 93.5 | -63.2 | 164.1 | -161.3 | 158.6 | 0 | 111.2 | | |
| 1454 | T | 39.8 | Very low | 38.1 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 71% | 0.712 | 75% | 0.747 | S | S | * | * | | | cis | -139.8 | 143.1 | 43.5 | 46.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1455 | D | 39.4 | Very low | 38.3 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | 57.7 | 135.5 | 135.8 | -51.7 | -13.4 | 0 | 0 | 0 | 120.7 | | |
| 1456 | S | 40.5 | Very low | 38.4 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 59% | 0.587 | 75% | 0.747 | S | S | * | * | | | cis | -173.9 | 149.9 | -3.1 | 54 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1457 | F | 41.7 | Very low | 38.6 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | | | trans | 67.8 | 145.9 | 161 | -51 | -60.5 | 0 | 0 | 0 | 118.7 | | |
| 1458 | D | 44.6 | Very low | 38.9 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | cis | -159.7 | 159.8 | -18.7 | -111.4 | -7.2 | 0 | 0 | 0 | 111.9 | | |
| 1459 | D | 42.1 | Very low | 38.8 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | 16.5 | 146 | 161.9 | -66.7 | -23.7 | 0 | 0 | 0 | 123.7 | | |
| 1460 | G | 39.5 | Very low | 39.1 | Very low | 67 Ų | 67 | 134.9 Ų | 134.9 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | | | cis | 150.9 | 155.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1461 | A | 40.5 | Very low | 39.5 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | 67.2 | 155.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1462 | S | 39.2 | Very low | 39.3 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -167.5 | 161.3 | -18.8 | 55 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1463 | N | 34.2 | Very low | 39.9 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | -66.4 | 154.1 | 175.8 | -69.3 | -111.4 | 0 | 0 | 0 | 114.6 | | |
| 1464 | Q | 40.2 | Very low | 39.8 | Very low | 197 Ų | 197 | 132.8 Ų | 132.8 | 92% | 0.921 | 75% | 0.747 | S | S | * | * | | | trans | -156.5 | 173.4 | 140.2 | -80.8 | -133.4 | 15 | 0 | 0 | 113.7 | | |
| 1465 | K | 39.1 | Very low | 40.2 | Very low | 179 Ų | 179 | 135.8 Ų | 135.8 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | -140.3 | 166.8 | -156.1 | -56.1 | 176.2 | 174.7 | -175.8 | 0 | 114 | | |
| 1466 | S | 39 | Very low | 40.6 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | | | trans | 108.3 | 117.4 | 135.9 | -59 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1467 | L | 38.5 | Very low | 40.6 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | | 90.3 | 139.4 | 119.9 | -72.6 | 172.5 | 0 | 0 | 0 | 125.2 | | |
| 1468 | K | 37.8 | Very low | 40.5 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | | | trans | 93.6 | 157.5 | 151 | -65.2 | 135.8 | -176.2 | 172.3 | 0 | 120 | | |
| 1469 | S | 38.4 | Very low | 40.6 | Very low | 96 Ų | 96 | 144 Ų | 144 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | cis | 177.3 | 174.4 | -38.5 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1470 | C | 37.1 | Very low | 40.5 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | | | trans | 85.8 | 155.3 | 163.5 | -54.8 | 0 | 0 | 0 | 0 | 119 | | |
| 1471 | D | 44.5 | Very low | 40.6 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | -168.6 | 149.1 | -28.6 | -98.1 | -40 | 0 | 0 | 0 | 114.3 | | |
| 1472 | F | 33.3 | Very low | 40.7 | Very low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | | | trans | 1 | 155.7 | 158.5 | -70.7 | -80.6 | 0 | 0 | 0 | 125.5 | I1474 | F1472-I1474 HydrophobicContact CD1-CD1 4.48Å; F1472-I1474 HydrophobicContact CD1-CG1 4.34Å |
| 1473 | P | 49.3 | Very low | 40.8 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | | | | -149.4 | 175 | 98.7 | 38.5 | -20.2 | 0 | 0 | 0 | 118.7 | | |
| 1474 | I | 37.6 | Very low | 40.9 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 67% | 0.667 | 77% | 0.768 | S | S | * | * | | | trans | -126.6 | 152.8 | -160.1 | -64.1 | 155.5 | 0 | 0 | 0 | 114.9 | F1472 | F1472-I1474 HydrophobicContact CD1-CD1 4.48Å; F1472-I1474 HydrophobicContact CD1-CG1 4.34Å |
| 1475 | K | 47.2 | Very low | 41 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | | | trans | -168.4 | 167.1 | 152.5 | -80.6 | 116.9 | -151.1 | 120.7 | 0 | 110.3 | | |
| 1476 | Q | 48 | Very low | 40.7 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | cis | -153.3 | -134.7 | -44.6 | -155.7 | 176 | 91.8 | 0 | 0 | 110.9 | | |
| 1477 | K | 40 | Very low | 40.7 | Very low | 190 Ų | 190 | 146.5 Ų | 146.5 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | -158 | 154.2 | -170.7 | -61.7 | -175 | 178.8 | -176.1 | 0 | 115.9 | | |
| 1478 | R | 40.2 | Very low | 40.7 | Very low | 232 Ų | 232 | 145.6 Ų | 145.6 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | | | trans | 174.1 | 147.9 | 132.5 | -99.1 | -177.6 | -158.4 | 116.8 | 2.4 | 114.7 | | |
| 1479 | P | 46.3 | Very low | 40.8 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -134.4 | -167.4 | 172.9 | 36.5 | -16.3 | 0 | 0 | 0 | 115.9 | | |
| 1480 | V | 39.8 | Very low | 41 | Very low | 122 Ų | 122 | 147 Ų | 147 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | 106.3 | 155.5 | 160.7 | -169.6 | 0 | 0 | 0 | 0 | 118 | | |
| 1481 | D | 43.1 | Very low | 40.9 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | 88.2 | 107.8 | -177.8 | -59.9 | -25 | 0 | 0 | 0 | 115.5 | | |
| 1482 | V | 41.6 | Very low | 40.9 | Very low | 124 Ų | 124 | 146.7 Ų | 146.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | 84.2 | 110 | 36.1 | -175.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1483 | I | 42.7 | Very low | 41.4 | Very low | 159 Ų | 159 | 144 Ų | 144 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | 168.5 | 137.3 | 143.6 | -89.2 | 153.9 | 0 | 0 | 0 | 110.6 | | |
| 1484 | K | 35.3 | Very low | 40.6 | Very low | 187 Ų | 187 | 143 Ų | 143 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -111.3 | 156.2 | 159.9 | -77.1 | -170.9 | 176.7 | -174.2 | 0 | 109 | | |
| 1485 | P | 41.9 | Very low | 40.7 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | | | | -146.4 | 174.9 | 114.8 | 38.4 | -23.5 | 0 | 0 | 0 | 115.1 | | |
| 1486 | N | 33.2 | Very low | 40.5 | Very low | 141 Ų | 141 | 145.7 Ų | 145.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -101.4 | 149.4 | -176.1 | -54.9 | -17.1 | 0 | 0 | 0 | 113.3 | | |
| 1487 | S | 40 | Very low | 40.1 | Very low | 113 Ų | 113 | 148.8 Ų | 148.8 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -164.2 | 113 | 152.4 | 55.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1488 | V | 37.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | | | | 58.1 | 86.2 | 55.4 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1489 | L | 41 | Very low | 40.2 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -160.6 | 105.7 | 141.1 | -87.6 | -161.9 | 0 | 0 | 0 | 111.8 | | |
| 1490 | L | 40.7 | Very low | 40.2 | Very low | 144 Ų | 144 | 146 Ų | 146 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | 21.5 | 108.5 | 140.3 | -74.1 | 60.7 | 0 | 0 | 0 | 119.9 | | |
| 1491 | S | 35.9 | Very low | 40.6 | Very low | 110 Ų | 110 | 146.2 Ų | 146.2 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | | 5.8 | 166.2 | 109.4 | -45.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1492 | P | 45.6 | Very low | 40.6 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | cis | -131 | -137.8 | -27.7 | 34.9 | -11.4 | 0 | 0 | 0 | 108.2 | | |
| 1493 | P | 42 | Very low | 41 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | | | cis | -130.6 | -178.3 | -21.5 | 40.4 | -22.4 | 0 | 0 | 0 | 115.9 | | |
| 1494 | S | 33.4 | Very low | 40.9 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | | | trans | -24.1 | 144.3 | 168.5 | 53.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1495 | L | 40.5 | Very low | 41.7 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | | | | -155.5 | 136 | 122.2 | -137.1 | 77.1 | 0 | 0 | 0 | 114.1 | | |
| 1496 | K | 41.6 | Very low | 42 | Very low | 194 Ų | 194 | 137.9 Ų | 137.9 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -60.4 | 141.7 | 179 | -54.5 | 170.7 | 178.1 | -175 | 0 | 113 | | |
| 1497 | R | 40.9 | Very low | 42.6 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 75% | 0.752 | S | S | * | * | | | trans | -175.5 | 119.9 | 136.1 | -106.3 | 155.3 | -178.6 | -169.8 | -0.4 | 118.1 | | |
| 1498 | H | 43.3 | Very low | 42.4 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 75% | 0.75 | 77% | 0.77 | S | S | * | * | | | trans | 58.3 | 110.5 | 132.8 | -78 | -121 | 0 | 0 | 0 | 122.3 | | |
| 1499 | R | 38.6 | Very low | 42.7 | Very low | 215 Ų | 215 | 144.2 Ų | 144.2 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | | 42.8 | 111.8 | 119.1 | -69.2 | -176.8 | 168 | -168.3 | -5.2 | 119.8 | | |
| 1500 | S | 45.7 | Very low | 42.8 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -152.1 | 97.1 | 141.4 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1501 | T | 47.1 | Very low | 42.9 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | 62.9 | 99.7 | 84 | 64.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1502 | S | 43.7 | Very low | 43.3 | Very low | 66 Ų | 66 | 145.2 Ų | 145.2 | 46% | 0.462 | 77% | 0.769 | S | S | . | * | | | trans | 59.5 | 124.2 | 144.2 | -160.1 | 0 | 0 | 0 | 0 | 120.5 | F1504 N1505 | S1502-F1504 PolarHBondContact OG-N 2.76Å; S1502-N1505 WeakPolarHBondContact OG-CB 3.02Å; S1502-N1505 VanDerWaalsContact OG-CG 3.31Å; S1502-N1505 PolarHBondContact OG-N 3.03Å; S1502-N1505 PolarHBondContact OG-OD1 2.84Å; S1502-N1505 VanDerWaalsContact OG-OD1 3.07Å |
| 1503 | V | 49.4 | Very low | 43.1 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -100.2 | -24.6 | 155.7 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | N1505 A1506 | V1503-N1505 PolarHBondContact O-N 2.65Å; V1503-A1506 WeakPolarHBondContact O-CA 3.38Å; V1503-A1506 VanDerWaalsContact O-CB 3.29Å; V1503-A1506 WeakPolarHBondContact O-CB 3.47Å; V1503-A1506 PolarHBondContact O-N 3.47Å |
| 1504 | F | 42.2 | Very low | 43.2 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -77.7 | -1.2 | 177.8 | -90.4 | -78.9 | 0 | 0 | 0 | 115.1 | S1502 A1506 L1507 | S1502-F1504 PolarHBondContact OG-N 2.76Å; F1504-A1506 PolarHBondContact O-N 2.93Å; F1504-L1507 HydrophobicContact CD1-CB 4.47Å; F1504-L1507 HydrophobicContact CD1-CD1 4.36Å; F1504-L1507 HydrophobicContact CE1-CD1 3.83Å; F1504-L1507 HydrophobicContact CZ-CD1 4.22Å |
| 1505 | N | 51 | Low | 43.9 | Very low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -78.8 | 1.6 | 158.3 | -74.1 | 21.8 | 0 | 0 | 0 | 112.7 | S1502 V1503 | S1502-N1505 WeakPolarHBondContact OG-CB 3.02Å; S1502-N1505 VanDerWaalsContact OG-CG 3.31Å; S1502-N1505 PolarHBondContact OG-N 3.03Å; S1502-N1505 PolarHBondContact OG-OD1 2.84Å; S1502-N1505 VanDerWaalsContact OG-OD1 3.07Å; V1503-N1505 PolarHBondContact O-N 2.65Å |
| 1506 | A | 48.8 | Very low | 44.2 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -124.7 | 18.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1503 F1504 | V1503-A1506 WeakPolarHBondContact O-CA 3.38Å; V1503-A1506 VanDerWaalsContact O-CB 3.29Å; V1503-A1506 WeakPolarHBondContact O-CB 3.47Å; V1503-A1506 PolarHBondContact O-N 3.47Å; F1504-A1506 PolarHBondContact O-N 2.93Å |
| 1507 | L | 45.6 | Very low | 44.4 | Very low | 139 Ų | 139 | 147.7 Ų | 147.7 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | -119.5 | 42.2 | 166 | -81.1 | 167.7 | 0 | 0 | 0 | 111.2 | F1504 | F1504-L1507 HydrophobicContact CD1-CB 4.47Å; F1504-L1507 HydrophobicContact CD1-CD1 4.36Å; F1504-L1507 HydrophobicContact CE1-CD1 3.83Å; F1504-L1507 HydrophobicContact CZ-CD1 4.22Å |
| 1508 | L | 36.3 | Very low | 44.7 | Very low | 225 Ų | 225 | 140 Ų | 140 | 100% | 1.178 | 75% | 0.75 | S | S | * | * | | | trans | -106.2 | 0 | 158.5 | -163.7 | 174.8 | 0 | 0 | 0 | 106.5 | | |