| 1 | M | 36.4 | Very low | 38.6 | Very low | 240 Ų | 240 | 143.2 Ų | 143.2 | 100% | 1.182 | 75% | 0.747 | S | S | * | * | | | | 0 | 145.4 | 0 | -70.2 | 157.2 | 162.3 | 0 | 0 | 107.1 | | |
| 2 | I | 45.4 | Very low | 38.4 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 90% | 0.897 | 74% | 0.742 | S | S | * | * | | | cis | -90.4 | 154.6 | 0.6 | -65.2 | 169.4 | 0 | 0 | 0 | 110.3 | | |
| 3 | K | 36.8 | Very low | 38.3 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | -141.8 | 163.5 | -176.1 | -158.5 | -164.8 | 175.6 | -170.9 | 0 | 106.9 | | |
| 4 | N | 39.5 | Very low | 38.4 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | | | trans | 71.4 | 157.9 | 169 | -51.3 | -9.8 | 0 | 0 | 0 | 115.2 | | |
| 5 | N | 39.3 | Very low | 38.4 | Very low | 133 Ų | 133 | 142.7 Ų | 142.7 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | cis | -155.3 | 149.7 | -24.2 | -99.8 | -3.7 | 0 | 0 | 0 | 106.1 | | |
| 6 | S | 36.9 | Very low | 38.4 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 74% | 0.738 | S | S | * | * | | | cis | 86.3 | 114.6 | 38.1 | -160.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 7 | L | 35.4 | Very low | 38.3 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | | | trans | 65.9 | 155.9 | 174.1 | -72.4 | 77 | 0 | 0 | 0 | 116.6 | | |
| 8 | D | 38.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 65% | 0.652 | 74% | 0.742 | S | S | * | * | | | cis | -166.9 | 170.7 | -27 | -100 | -7.9 | 0 | 0 | 0 | 107.3 | | |
| 9 | D | 40.3 | Very low | 38.3 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | 50.8 | 151.2 | 141.4 | -78.1 | 9.2 | 0 | 0 | 0 | 123.1 | | |
| 10 | I | 38.9 | Very low | 38.4 | Very low | 125 Ų | 125 | 142 Ų | 142 | 64% | 0.641 | 74% | 0.744 | S | S | * | * | | | cis | -166.2 | 165.7 | -24.7 | -126.1 | 174.4 | 0 | 0 | 0 | 107.1 | | |
| 11 | N | 37.7 | Very low | 38.6 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | trans | 64.8 | 105.1 | 162.2 | -78.3 | -20.1 | 0 | 0 | 0 | 121.9 | | |
| 12 | N | 36.3 | Very low | 39.1 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | | | | 77.3 | 143.4 | 111.4 | -75.9 | -27.4 | 0 | 0 | 0 | 124.5 | | |
| 13 | I | 36.6 | Very low | 38.8 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 80% | 0.795 | 71% | 0.707 | S | S | * | * | | | trans | 74.1 | 138.2 | 147.1 | -72.9 | 159.3 | 0 | 0 | 0 | 118.2 | | |
| 14 | V | 39.4 | Very low | 38.9 | Very low | 104 Ų | 104 | 131 Ų | 131 | 63% | 0.63 | 71% | 0.707 | S | S | * | * | | | cis | -171.2 | 157.4 | -35.9 | 113.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 15 | H | 39.1 | Very low | 38.5 | Very low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.815 | 71% | 0.705 | S | S | * | * | | | trans | 69.6 | 151.1 | 175.3 | -64.9 | -32.9 | 0 | 0 | 0 | 116.6 | | |
| 16 | S | 38.2 | Very low | 38.3 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | | | cis | -154.8 | 150.2 | 3.8 | 35.4 | 0 | 0 | 0 | 0 | 115.2 | | |
| 17 | N | 36.2 | Very low | 38.1 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | | | trans | 73.7 | 128.3 | 141.1 | -66.6 | -7.1 | 0 | 0 | 0 | 124.5 | | |
| 18 | Q | 39 | Very low | 37.8 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | | | trans | 72 | 137.6 | 146.4 | -66 | 176.1 | -8.2 | 0 | 0 | 118.3 | | |
| 19 | T | 38.6 | Very low | 37.5 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | cis | -157.3 | 161.7 | -3.8 | -0.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 20 | H | 40.3 | Very low | 37.1 | Very low | 181 Ų | 181 | 138 Ų | 138 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | | | trans | 74.8 | 161.1 | 165.5 | -72.4 | -68.2 | 0 | 0 | 0 | 120 | | |
| 21 | S | 41.9 | Very low | 36.9 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | | | trans | -155.7 | -170.6 | -155.7 | 64.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 22 | P | 46 | Very low | 36.6 | Very low | 98 Ų | 98 | 134.6 Ų | 134.6 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | | | cis | -143.8 | 156.6 | 7.8 | 39.6 | -19.3 | 0 | 0 | 0 | 118.9 | | |
| 23 | N | 39.8 | Very low | 36.4 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | trans | 58.9 | 146.6 | 135.1 | -63.2 | -23.3 | 0 | 0 | 0 | 121.5 | | |
| 24 | K | 39.3 | Very low | 36.3 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | | | cis | -161.1 | 146.7 | -1.6 | -118.1 | 168.2 | -172.5 | -179.5 | 0 | 112.9 | | |
| 25 | S | 32 | Very low | 36.2 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | | | trans | 4.8 | 127.3 | 142.1 | 56.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 26 | L | 33.1 | Very low | 36.3 | Very low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 71% | 0.712 | S | S | * | * | | | | 61.4 | 116 | 75.1 | -68.9 | 165.8 | 0 | 0 | 0 | 115.5 | | |
| 27 | S | 33.5 | Very low | 36.3 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 72% | 0.718 | S | S | * | * | | | | -174.6 | 160 | 122.6 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 28 | L | 30 | Very low | 36 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | | | trans | -91.4 | 157.9 | 168.9 | -58 | 81.8 | 0 | 0 | 0 | 109.6 | | |
| 29 | T | 32 | Very low | 35.7 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | | 162.1 | 138.3 | 106.3 | 47.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 30 | Y | 31.5 | Very low | 35.3 | Very low | 225 Ų | 225 | 130 Ų | 130 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | | | trans | 72.2 | 151.6 | 142.7 | -109.5 | -116.6 | 0 | 0 | 0 | 125.3 | | |
| 31 | S | 33.7 | Very low | 35.1 | Very low | 91 Ų | 91 | 130.4 Ų | 130.4 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | | | trans | 79.2 | 84.8 | 152.1 | -85.2 | 0 | 0 | 0 | 0 | 123.9 | | |
| 32 | S | 32.6 | Very low | 34.5 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | | 66.6 | 118.7 | 109 | 63.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 33 | T | 32.3 | Very low | 34 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | | | trans | 80.9 | 157.7 | 137.7 | 58.7 | 0 | 0 | 0 | 0 | 122.9 | I607 | T33-I607 HydrophobicContact CG2-CD1 4.32Š|
| 34 | I | 34.5 | Very low | 33.9 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 58% | 0.579 | 72% | 0.724 | S | S | * | * | | | trans | 103.5 | 152.8 | 165.1 | -64.3 | 179.1 | 0 | 0 | 0 | 117.4 | P606 I607 | I34-P606 WeakPolarHBondContact CA-O 3.47Å; I34-P606 PolarHBondContact N-O 3.12Å; I34-I607 HydrophobicContact CG1-CB 4.08Å; I34-I607 HydrophobicContact CG1-CG2 4.05Å; I34-I607 WeakPolarHBondContact CG2-O 3.39Å |
| 35 | K | 36.5 | Very low | 33.5 | Very low | 125 Ų | 125 | 133.6 Ų | 133.6 | 54% | 0.543 | 72% | 0.724 | S | S | . | * | | | trans | -76.1 | 164 | -150.6 | -103.9 | 170.4 | -170.2 | -172.9 | 0 | 119.6 | I607 | K35-I607 WeakPolarHBondContact CB-O 3.38Å; K35-I607 WeakPolarHBondContact CD-O 3.25Å; K35-I607 WeakPolarHBondContact CG-O 2.96Å; K35-I607 PolarHBondContact N-O 3.09Å |
| 36 | S | 42.2 | Very low | 33.9 | Very low | 89 Ų | 89 | 135.2 Ų | 135.2 | 62% | 0.622 | 73% | 0.733 | S | S | * | * | | | trans | -69.7 | 161.2 | 157.6 | 52.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 37 | P | 36.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | | | | -138 | -173.2 | 114.4 | 40.5 | -30.7 | 0 | 0 | 0 | 114.1 | | |
| 38 | L | 31.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | | | trans | -83.1 | 174.7 | 174.2 | -74.1 | 81.9 | 0 | 0 | 0 | 112.7 | | |
| 39 | F | 32.2 | Very low | 34.1 | Very low | 173 Ų | 173 | 137.2 Ų | 137.2 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | trans | 112.2 | 114.1 | 150.8 | -84.2 | -88.9 | 0 | 0 | 0 | 119.5 | | |
| 40 | N | 30 | Very low | 34.3 | Very low | 115 Ų | 115 | 140.1 Ų | 140.1 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | | | trans | 40 | 129.3 | 141.7 | -60.4 | 14.4 | 0 | 0 | 0 | 122.2 | | |
| 41 | H | 35.3 | Very low | 34.4 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | | | | -103.1 | 132 | 116.5 | -93.6 | -104.5 | 0 | 0 | 0 | 106.9 | | |
| 42 | E | 30.7 | Very low | 34.4 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 58% | 0.584 | 73% | 0.731 | S | S | * | * | | | cis | 65.6 | 104.3 | 46.6 | -77.1 | -63.4 | 147.7 | 0 | 0 | 114.3 | | |
| 43 | D | 35.7 | Very low | 34.5 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | | | trans | -152.5 | 104.8 | 152.1 | -123.7 | -28.2 | 0 | 0 | 0 | 112.3 | | |
| 44 | S | 37.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | 76.7 | 106.2 | 151.4 | -148.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 45 | F | 31.6 | Very low | 34.6 | Very low | 170 Ų | 170 | 142 Ų | 142 | 75% | 0.746 | 75% | 0.749 | S | S | * | * | | | trans | -93.9 | 154.8 | 159.2 | -88.3 | -92.1 | 0 | 0 | 0 | 111.6 | | |
| 46 | P | 40.5 | Very low | 34.5 | Very low | 119 Ų | 119 | 143.6 Ų | 143.6 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | | -140.7 | 145.2 | 101.4 | 21.7 | -1.3 | 0 | 0 | 0 | 113.3 | | |
| 47 | S | 32.9 | Very low | 34.1 | Very low | 102 Ų | 102 | 145.5 Ų | 145.5 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | cis | 112 | 149.2 | 33 | -77.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 48 | R | 33 | Very low | 33.8 | Very low | 230 Ų | 230 | 143.8 Ų | 143.8 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | | | trans | 83.9 | 99.6 | -176.1 | -166.3 | 177.2 | -66.1 | -174 | -0.1 | 113.9 | | |
| 49 | I | 33.2 | Very low | 33.9 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | cis | 63.7 | 102.2 | 49.9 | -47.2 | 171.3 | 0 | 0 | 0 | 113.6 | | |
| 50 | Q | 37.6 | Very low | 34 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | | -164.1 | 166.2 | 124.9 | -108.5 | 175.2 | 24.3 | 0 | 0 | 111.7 | | |
| 51 | T | 32.1 | Very low | 34.2 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | -118.4 | 150.2 | -168.4 | 52 | 0 | 0 | 0 | 0 | 112.1 | | |
| 52 | K | 35.6 | Very low | 34.3 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | | | trans | 162.8 | 119.4 | 130.3 | -90.3 | 162.6 | -176.6 | 179.9 | 0 | 114.6 | | |
| 53 | S | 33.2 | Very low | 34.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | 45.1 | 154.9 | 133.6 | 63.5 | 0 | 0 | 0 | 0 | 124.5 | | |
| 54 | S | 36 | Very low | 34.7 | Very low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | 74.1 | 97.9 | 152.6 | 42.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 55 | N | 32.6 | Very low | 34.8 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | | | | 41.3 | 120.9 | 125.8 | -50.5 | -4.2 | 0 | 0 | 0 | 120 | | |
| 56 | L | 35.6 | Very low | 35 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | | | | 178 | 110.1 | 113.2 | -94.4 | 162.1 | 0 | 0 | 0 | 114.3 | | |
| 57 | I | 34.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 134 Ų | 134 | 66% | 0.656 | 74% | 0.742 | S | S | * | * | | | trans | 35.5 | 124.5 | 132 | -66 | 175.7 | 0 | 0 | 0 | 121.7 | | |
| 58 | C | 30 | Very low | 34.9 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 58% | 0.581 | 75% | 0.753 | S | S | * | * | | | trans | 71.3 | 121.8 | 148.9 | -78.8 | 0 | 0 | 0 | 0 | 125.1 | V448 | C58-V448 HydrophobicContact CB-CG2 3.87Š|
| 59 | T | 32.1 | Very low | 35 | Very low | 110 Ų | 110 | 136.7 Ų | 136.7 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | 61 | 128 | 134.9 | 60.3 | 0 | 0 | 0 | 0 | 121.9 | | |
| 60 | T | 35.9 | Very low | 35 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 75% | 0.75 | S | S | * | * | | | | -173.2 | 156.9 | 109.9 | -75.8 | 0 | 0 | 0 | 0 | 112.4 | P445 | T60-P445 HydrophobicContact CG2-CG 4.31Š|
| 61 | Y | 33.5 | Very low | 34.7 | Very low | 142 Ų | 142 | 136.1 Ų | 136.1 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | | | trans | -54 | 164 | -170.1 | -80 | -116.7 | 0 | 0 | 0 | 119 | P443 P445 | Y61-P443 HydrophobicContact CE1-CG 3.97Å; Y61-P443 WeakPolarHBondContact OH-CG 3.32Å; Y61-P445 HydrophobicContact CD2-CB 4.14Å; Y61-P445 HydrophobicContact CD2-CG 3.72Å; Y61-P445 HydrophobicContact CE2-CB 3.89Å; Y61-P445 HydrophobicContact CE2-CG 3.92Å |
| 62 | P | 37.5 | Very low | 35 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | | | trans | -77.9 | 161.7 | 166.3 | 35.4 | -36.6 | 0 | 0 | 0 | 113.2 | | |
| 63 | I | 40.5 | Very low | 34.9 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | | | trans | -117.7 | 148.8 | -179.4 | -65.4 | 173.1 | 0 | 0 | 0 | 110.4 | | |
| 64 | S | 34.7 | Very low | 35.4 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | trans | -122.9 | 153.9 | 179.4 | 58 | 0 | 0 | 0 | 0 | 113.3 | | |
| 65 | L | 38.2 | Very low | 35.2 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 80% | 0.801 | 74% | 0.739 | S | S | * | * | | | trans | -127.3 | 128 | 157.7 | -73.7 | 88.7 | 0 | 0 | 0 | 105.3 | | |
| 66 | S | 35.9 | Very low | 35.4 | Very low | 93 Ų | 93 | 135.5 Ų | 135.5 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | | | | 67.4 | 128 | 50.5 | 84.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 67 | S | 36.9 | Very low | 35.4 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | cis | -165.1 | 155.3 | -6.7 | -88.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 68 | Y | 35.5 | Very low | 35.3 | Very low | 244 Ų | 244 | 131 Ų | 131 | 96% | 0.957 | 73% | 0.734 | S | S | * | * | | | trans | -159.5 | 138.8 | 139.9 | -100.2 | -65.2 | 0 | 0 | 0 | 110.5 | | |
| 69 | H | 34.5 | Very low | 35.6 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | | | trans | -113.8 | 149.1 | -174.7 | -122 | -105.8 | 0 | 0 | 0 | 110 | | |
| 70 | Y | 33.6 | Very low | 35.7 | Very low | 228 Ų | 228 | 136.2 Ų | 136.2 | 89% | 0.894 | 75% | 0.746 | S | S | * | * | | | trans | -150.7 | 136.7 | 141.7 | -112 | -75.4 | 0 | 0 | 0 | 110.3 | | |
| 71 | T | 30.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | | | trans | -151.2 | 135.6 | -171 | 43 | 0 | 0 | 0 | 0 | 109.7 | | |
| 72 | I | 38.4 | Very low | 35.7 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | | | trans | -136.4 | 134.4 | 170.5 | -60.5 | -177.8 | 0 | 0 | 0 | 109.2 | | |
| 73 | S | 34.3 | Very low | 35.7 | Very low | 105 Ų | 105 | 140.3 Ų | 140.3 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | -130.7 | 159.5 | 175.8 | -52 | 0 | 0 | 0 | 0 | 109.7 | | |
| 74 | P | 42.8 | Very low | 35.4 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | | -140.7 | 156.8 | 107.2 | 32.2 | -16.4 | 0 | 0 | 0 | 112.7 | | |
| 75 | S | 32.6 | Very low | 35.5 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | cis | 92.2 | 151.1 | 20.4 | 85.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 76 | I | 36.8 | Very low | 35.2 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | | | trans | 80.4 | 136.2 | 179.3 | -55 | 168.3 | 0 | 0 | 0 | 114.1 | | |
| 77 | S | 34.8 | Very low | 35.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | cis | -159.7 | 163.1 | -14.1 | 173.9 | 0 | 0 | 0 | 0 | 113 | | |
| 78 | S | 31.8 | Very low | 35.1 | Very low | 89 Ų | 89 | 146 Ų | 146 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | | | trans | -63.1 | -173.2 | -178 | 59.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 79 | N | 35.8 | Very low | 34.9 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 74% | 0.743 | 73% | 0.727 | S | S | * | * | | | trans | 92.7 | 148.2 | 163.5 | -61.6 | -31 | 0 | 0 | 0 | 117.6 | | |
| 80 | H | 35.5 | Very low | 35 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | cis | -168.4 | 167.3 | -31.3 | -146.3 | 1.3 | 0 | 0 | 0 | 109.6 | | |
| 81 | H | 35 | Very low | 34.9 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 63% | 0.63 | 73% | 0.728 | S | S | * | * | | | trans | 60.6 | 136.5 | 174.6 | -99.1 | 57.8 | 0 | 0 | 0 | 117.4 | | |
| 82 | Q | 34 | Very low | 35.2 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | 80.1 | 145.8 | 44.8 | -101.1 | -167.9 | 17.4 | 0 | 0 | 116.3 | | |
| 83 | Q | 36.9 | Very low | 34.8 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | | | trans | 76.8 | 155.6 | 179 | -56.4 | -174 | 26.5 | 0 | 0 | 117.4 | | |
| 84 | H | 34.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | cis | -167.8 | 144.1 | -44.3 | -153.4 | 29.7 | 0 | 0 | 0 | 108.9 | | |
| 85 | Q | 36.7 | Very low | 34.2 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | trans | 61.4 | 176.8 | 162.7 | -69.9 | -180 | 40 | 0 | 0 | 115.8 | | |
| 86 | Q | 33.6 | Very low | 34.1 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 64% | 0.64 | 74% | 0.737 | S | S | * | * | | | cis | -168.6 | 168.4 | -44.9 | -172.6 | -168.7 | 83.5 | 0 | 0 | 106.9 | | |
| 87 | Q | 35.4 | Very low | 34.1 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | | | trans | 73.9 | 157.3 | 165.4 | -46.1 | -177.7 | 19.9 | 0 | 0 | 116.1 | | |
| 88 | Q | 34.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | cis | -153.4 | -179.1 | -24.1 | -113.9 | 177.3 | 48.3 | 0 | 0 | 109.9 | | |
| 89 | H | 30.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | | | trans | -68.9 | 154.4 | -179 | -51 | -22.8 | 0 | 0 | 0 | 114.2 | | |
| 90 | Q | 37.6 | Very low | 33.4 | Very low | 190 Ų | 190 | 156.1 Ų | 156.1 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | trans | -138.5 | 135.8 | 132.9 | -70.9 | -159.5 | 7.7 | 0 | 0 | 110.8 | | |
| 91 | H | 30.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 158.9 Ų | 158.9 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -81.1 | 156.4 | 167.3 | -78.2 | -114.6 | 0 | 0 | 0 | 110.4 | | |
| 92 | H | 37.4 | Very low | 33.3 | Very low | 181 Ų | 181 | 157 Ų | 157 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | | | trans | -146.2 | 127.6 | 141.5 | -108.9 | 55.2 | 0 | 0 | 0 | 110.7 | | |
| 93 | H | 29.7 | Very low | 33.3 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -77.4 | 166.8 | 160.4 | -91.1 | -103.9 | 0 | 0 | 0 | 109.6 | | |
| 94 | I | 33.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 155.4 Ų | 155.4 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | | | | 172.2 | 129.2 | 117.2 | -88.6 | 159.3 | 0 | 0 | 0 | 113 | | |
| 95 | N | 31.9 | Very low | 33.6 | Very low | 132 Ų | 132 | 157.9 Ų | 157.9 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 40.9 | 112.8 | 151.9 | -56.6 | -2.3 | 0 | 0 | 0 | 123.4 | | |
| 96 | T | 28.6 | Very low | 33.6 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | | 9.8 | 135.6 | 116.4 | 40.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 97 | K | 37 | Very low | 33.7 | Very low | 211 Ų | 211 | 158.6 Ų | 158.6 | 92% | 0.917 | 77% | 0.77 | S | S | * | * | | | trans | -137.2 | 140.7 | 143.2 | -74.7 | -165.7 | 176 | -177.2 | 0 | 111.2 | | |
| 98 | Q | 28.5 | Very low | 33.8 | Very low | 181 Ų | 181 | 158.9 Ų | 158.9 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -103.7 | 152.8 | 168.8 | -62.9 | 164.6 | -69.1 | 0 | 0 | 109.5 | | |
| 99 | N | 31.3 | Very low | 33.8 | Very low | 149 Ų | 149 | 157.4 Ų | 157.4 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 169 | 122.5 | 138.6 | -85.8 | -13.6 | 0 | 0 | 0 | 108 | | |
| 100 | V | 29.7 | Very low | 34.2 | Very low | 118 Ų | 118 | 158.3 Ų | 158.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | | 80.1 | 105.9 | 61 | 171.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 101 | Y | 32.8 | Very low | 34 | Very low | 226 Ų | 226 | 158 Ų | 158 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | | | trans | -177.4 | 152.4 | 150.4 | -113 | -78.9 | 0 | 0 | 0 | 108 | | |
| 102 | S | 34.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | | -148 | 156.5 | -66.9 | -82.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 103 | Q | 34.4 | Very low | 34.1 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | | | trans | -84.7 | 169.9 | 176.2 | -75.8 | -113.6 | -54.1 | 0 | 0 | 112.7 | | |
| 104 | P | 42.4 | Very low | 34.1 | Very low | 107 Ų | 107 | 154.2 Ų | 154.2 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | trans | -141.3 | 136.3 | 131.6 | 36.8 | -23.1 | 0 | 0 | 0 | 117.2 | | |
| 105 | Y | 34.8 | Very low | 34.7 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | trans | 63.3 | 143.7 | 132.4 | -75.1 | -111.2 | 0 | 0 | 0 | 120.4 | | |
| 106 | E | 37.4 | Very low | 34.8 | Very low | 152 Ų | 152 | 151.6 Ų | 151.6 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | | | cis | -152.2 | -156.8 | -11 | -148.3 | 169.2 | -159.7 | 0 | 0 | 111.4 | | |
| 107 | Q | 34.6 | Very low | 35.2 | Very low | 144 Ų | 144 | 150.1 Ų | 150.1 | 67% | 0.673 | 77% | 0.769 | S | S | * | * | | | trans | -107.2 | 163.3 | -161.7 | -55.4 | 161.7 | -86.5 | 0 | 0 | 113.4 | | |
| 108 | D | 37.2 | Very low | 35.3 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | | -162.9 | 179.2 | 109.2 | -136.9 | -35.5 | 0 | 0 | 0 | 113 | | |
| 109 | H | 35.6 | Very low | 35.7 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | | | trans | -124 | 178 | -156.9 | -74.9 | -78.7 | 0 | 0 | 0 | 116.6 | | |
| 110 | Q | 38.1 | Very low | 36 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | | | trans | 92.4 | 162.5 | 155.7 | -48.7 | 179.5 | 54.3 | 0 | 0 | 118.2 | | |
| 111 | K | 34.4 | Very low | 36.3 | Very low | 183 Ų | 183 | 138.2 Ų | 138.2 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | | -170.9 | 163.1 | -61.7 | -138.6 | -178.9 | -178.9 | -179.3 | 0 | 108.4 | | |
| 112 | M | 33.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 132.6 Ų | 132.6 | 80% | 0.803 | 74% | 0.743 | S | S | * | * | | | trans | 69.6 | 153.9 | 164.5 | -63.1 | 162.5 | 62.5 | 0 | 0 | 115.9 | | |
| 113 | T | 37.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | cis | -159.7 | 164.4 | -13.6 | 18.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 114 | T | 29.8 | Very low | 36.7 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | trans | -116.3 | -169.4 | 167.4 | 63.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 115 | P | 44.9 | Very low | 36.2 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | | | cis | -140 | -164.3 | -7.4 | 42.3 | -22.8 | 0 | 0 | 0 | 115.4 | | |
| 116 | S | 34.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | trans | 79.6 | 161.1 | 154 | 85.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 117 | S | 37.6 | Very low | 36.1 | Very low | 94 Ų | 94 | 125 Ų | 125 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | | | cis | -158.8 | 161 | 9.5 | 55.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 118 | S | 38.4 | Very low | 36.1 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | trans | 57.5 | 152.1 | 150.5 | 45.8 | 0 | 0 | 0 | 0 | 122.3 | | |
| 119 | S | 36.9 | Very low | 35.9 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | cis | -173.2 | 158.9 | -11 | 49 | 0 | 0 | 0 | 0 | 112.7 | | |
| 120 | S | 37.9 | Very low | 35.8 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 73% | 0.732 | S | S | * | * | | | trans | 59.4 | 148.5 | 147.2 | 54.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 121 | S | 36.7 | Very low | 35.5 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | | | cis | -177.8 | 149.9 | -11.3 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 122 | S | 36.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | 66.5 | 155.8 | 146.7 | -61.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 123 | S | 36.4 | Very low | 35.3 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | | | cis | -171.5 | 161.7 | -20.8 | -92.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 124 | S | 34.9 | Very low | 35 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | | | trans | 71.7 | 154.4 | 153.8 | -63.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 125 | S | 33 | Very low | 35 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | | | cis | -174.4 | 168.7 | -32.5 | 51.3 | 0 | 0 | 0 | 0 | 111 | | |
| 126 | L | 34.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | 74.1 | 152.8 | 165.4 | -42.1 | -176.8 | 0 | 0 | 0 | 117.8 | | |
| 127 | L | 35.5 | Very low | 34 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 68% | 0.675 | 72% | 0.722 | S | S | * | * | | | cis | -166.9 | 149.8 | -24.9 | -106.4 | 175.2 | 0 | 0 | 0 | 108.7 | | |
| 128 | L | 34.2 | Very low | 33.6 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 61.3 | 153.3 | 153.3 | -63.6 | 161.4 | 0 | 0 | 0 | 119.2 | | |
| 129 | N | 32.7 | Very low | 33.3 | Very low | 121 Ų | 121 | 129.6 Ų | 129.6 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | | | cis | -162.2 | 167.1 | -35 | -154.5 | 3 | 0 | 0 | 0 | 110.3 | | |
| 130 | N | 33.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 133 Ų | 133 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | | | trans | 69.6 | 121.6 | 153.7 | -67.6 | -22.6 | 0 | 0 | 0 | 121.8 | | |
| 131 | N | 33.5 | Very low | 32.7 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 73% | 0.725 | S | S | * | * | | | trans | 87.6 | 81.5 | 132.7 | -61.9 | -10.3 | 0 | 0 | 0 | 121.7 | | |
| 132 | Y | 29.2 | Very low | 32.5 | Very low | 204 Ų | 204 | 134.3 Ų | 134.3 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | | | | 43.7 | 105.9 | 117 | -75.7 | -76.4 | 0 | 0 | 0 | 119.7 | | |
| 133 | K | 32.6 | Very low | 32.3 | Very low | 208 Ų | 208 | 136.2 Ų | 136.2 | 90% | 0.904 | 73% | 0.725 | S | S | * | * | | | | -146.7 | 124.5 | 124 | -144.1 | 171.8 | -174 | 178.8 | 0 | 109.9 | | |
| 134 | H | 32.1 | Very low | 32.1 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | -77.2 | 136.1 | -179 | -101.3 | -83.3 | 0 | 0 | 0 | 111.7 | | |
| 135 | T | 30.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | | | trans | -142.7 | 156.2 | 160.2 | 49.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 136 | M | 30.1 | Very low | 32.3 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | | | trans | 64.7 | 162.3 | 175.5 | -44.8 | -71.6 | 77.1 | 0 | 0 | 114.6 | | |
| 137 | D | 27.9 | Very low | 32.5 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | | | | -162.6 | 172.2 | -52.4 | -133.2 | -61.4 | 0 | 0 | 0 | 108.1 | | |
| 138 | S | 28.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 144 Ų | 144 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | | | trans | 47 | 106.3 | 152.9 | -65.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 139 | L | 31.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 72% | 0.717 | S | S | * | * | | | trans | -135.2 | 122.9 | 144.8 | -69.4 | 177.8 | 0 | 0 | 0 | 110.6 | | |
| 140 | Q | 33.1 | Very low | 33.1 | Very low | 169 Ų | 169 | 141.7 Ų | 141.7 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | 27.7 | 148.6 | 135.8 | -66 | 158.3 | -48.5 | 0 | 0 | 121 | | |
| 141 | S | 30.6 | Very low | 33.8 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | | | cis | -176.9 | 176.2 | -11.7 | 54.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 142 | N | 31.6 | Very low | 34.6 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | | | trans | 76.2 | 95.5 | 156.8 | -57.4 | -19.3 | 0 | 0 | 0 | 120.5 | | |
| 143 | H | 32.2 | Very low | 35.6 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 70% | 0.697 | S | S | * | * | | | | 71.1 | 114.9 | 111.7 | -153.2 | 65.8 | 0 | 0 | 0 | 120.1 | | |
| 144 | Y | 33.8 | Very low | 36.2 | Very low | 219 Ų | 219 | 130 Ų | 130 | 86% | 0.859 | 67% | 0.674 | S | S | * | * | | | trans | -175.1 | 103.4 | 133.9 | -107.1 | -69.1 | 0 | 0 | 0 | 109.5 | | |
| 145 | D | 35.1 | Very low | 37.6 | Very low | 106 Ų | 106 | 125.7 Ų | 125.7 | 57% | 0.567 | 66% | 0.657 | S | S | * | * | | | trans | -84 | 147 | -178.3 | -71.2 | -73.1 | 0 | 0 | 0 | 113.7 | | |
| 146 | M | 36.6 | Very low | 39.4 | Very low | 155 Ų | 155 | 126.5 Ų | 126.5 | 76% | 0.764 | 65% | 0.651 | S | S | * | * | | | trans | -140.6 | 154.1 | 170.5 | -88.5 | -78.1 | 99.2 | 0 | 0 | 110.3 | Y148 | M146-Y148 VanDerWaalsContact O-CD2 3.31Å; M146-Y148 WeakPolarHBondContact O-CD2 3.35Å; M146-Y148 PolarHBondContact O-N 3Å |
| 147 | P | 38 | Very low | 41 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 66% | 0.662 | 64% | 0.641 | S | S | * | * | | | trans | -68.4 | 123.1 | -158 | -23.1 | 35.1 | 0 | 0 | 0 | 114.8 | T149 | P147-T149 PolarHBondContact O-N 3.33Š|
| 148 | Y | 31.7 | Very low | 42.6 | Very low | 164 Ų | 164 | 124.1 Ų | 124.1 | 64% | 0.643 | 63% | 0.631 | S | S | * | * | | | trans | -78.4 | 84.1 | -177.4 | -75.6 | -106.3 | 0 | 0 | 0 | 112.5 | M146 N151 | M146-Y148 VanDerWaalsContact O-CD2 3.31Å; M146-Y148 WeakPolarHBondContact O-CD2 3.35Å; M146-Y148 PolarHBondContact O-N 3Å; Y148-N151 HydrophobicContact CD1-CB 3.89Å |
| 149 | T | 40.7 | Very low | 44.4 | Very low | 109 Ų | 109 | 124.2 Ų | 124.2 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -111 | -41.6 | 167.6 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | P147 N151 | P147-T149 PolarHBondContact O-N 3.33Å; T149-N151 VanDerWaalsContact C-N 3.26Å; T149-N151 PolarHBondContact O-N 3.22Å |
| 150 | T | 43.5 | Very low | 46.1 | Very low | 108 Ų | 108 | 122.4 Ų | 122.4 | 66% | 0.663 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.8 | -29 | 178.7 | -9.7 | 0 | 0 | 0 | 0 | 113.4 | Q152 Q153 S154 | T150-Q152 PolarHBondContact O-N 3.27Å; T150-Q153 PolarHBondContact O-N 3.22Å; T150-S154 PolarHBondContact O-N 3.13Å |
| 151 | N | 46.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 115.5 Ų | 115.5 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.1 | -36 | -174 | -169.1 | -86.9 | 0 | 0 | 0 | 113 | Y148 T149 Q153 S154 N155 | Y148-N151 HydrophobicContact CD1-CB 3.89Å; T149-N151 VanDerWaalsContact C-N 3.26Å; T149-N151 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact C-N 3.25Å; N151-Q153 PolarHBondContact O-N 3.26Å; N151-S154 WeakPolarHBondContact CA-OG 3.47Å; N151-S154 PolarHBondContact O-N 3.36Å; N151-S154 PolarHBondContact O-OG 2.9Å; N151-N155 WeakPolarHBondContact O-CB 3.36Å; N151-N155 PolarHBondContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.15Å; N151-N155 PolarHBondContact O-OD1 3.31Å; N151-N155 PolarHBondContact OD1-ND2 3.26Å |
| 152 | Q | 50.8 | Low | 49 | Very low | 139 Ų | 139 | 113 Ų | 113 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.4 | -35.6 | 175.1 | -69 | -170 | -3.1 | 0 | 0 | 112 | T150 K156 | T150-Q152 PolarHBondContact O-N 3.27Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.18Å |
| 153 | Q | 51.5 | Low | 50.6 | Low | 139 Ų | 139 | 111.6 Ų | 111.6 | 65% | 0.65 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -78.2 | -35.7 | -176.8 | -152.5 | 164.1 | 8 | 0 | 0 | 111.6 | T150 N151 I157 | T150-Q153 PolarHBondContact O-N 3.22Å; N151-Q153 VanDerWaalsContact C-N 3.25Å; N151-Q153 PolarHBondContact O-N 3.26Å; Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 2.83Å |
| 154 | S | 44.8 | Very low | 52.1 | Low | 60 Ų | 60 | 108.5 Ų | 108.5 | 42% | 0.42 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 168.7 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | T150 N151 K156 I157 W158 | T150-S154 PolarHBondContact O-N 3.13Å; N151-S154 WeakPolarHBondContact CA-OG 3.47Å; N151-S154 PolarHBondContact O-N 3.36Å; N151-S154 PolarHBondContact O-OG 2.9Å; S154-K156 PolarHBondContact O-N 3.31Å; S154-I157 PolarHBondContact O-N 3.43Å; S154-W158 WeakPolarHBondContact O-CB 3.37Å; S154-W158 PolarHBondContact O-N 2.95Å |
| 155 | N | 61 | Low | 53.1 | Low | 73 Ų | 73 | 99.6 Ų | 99.6 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | -179.8 | -63.5 | -4.2 | 0 | 0 | 0 | 111.8 | N151 W158 Q159 | N151-N155 WeakPolarHBondContact O-CB 3.36Å; N151-N155 PolarHBondContact O-N 3.07Å; N151-N155 PolarHBondContact O-ND2 3.15Å; N151-N155 PolarHBondContact O-OD1 3.31Å; N151-N155 PolarHBondContact OD1-ND2 3.26Å; N155-W158 PolarHBondContact O-N 2.8Å; N155-Q159 WeakPolarHBondContact O-CB 3.38Å; N155-Q159 WeakPolarHBondContact O-CG 3.14Å; N155-Q159 PolarHBondContact O-N 3.32Å |
| 156 | K | 68.5 | Low | 54.2 | Low | 132 Ų | 132 | 99.1 Ų | 99.1 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 172.1 | -77.2 | -175.5 | 176.6 | -169.8 | 0 | 112.7 | Q152 S154 W158 Q159 Q160 | Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.18Å; S154-K156 PolarHBondContact O-N 3.31Å; K156-W158 VanDerWaalsContact C-N 3.32Å; K156-Q159 PolarHBondContact O-N 3.06Å; K156-Q160 WeakPolarHBondContact O-CB 2.81Å; K156-Q160 WeakPolarHBondContact O-CG 3.27Å; K156-Q160 PolarHBondContact O-N 3.41Å |
| 157 | I | 62.8 | Low | 55.2 | Low | 104 Ų | 104 | 97 Ų | 97 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 174.5 | -67.9 | 165.7 | 0 | 0 | 0 | 110.4 | Q153 S154 S161 | Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 2.83Å; S154-I157 PolarHBondContact O-N 3.43Å; I157-S161 VanDerWaalsContact O-CB 3.29Å; I157-S161 WeakPolarHBondContact O-CB 3.43Å; I157-S161 PolarHBondContact O-N 3.45Å; I157-S161 PolarHBondContact O-OG 2.94Å |
| 158 | W | 62.3 | Low | 56.1 | Low | 123 Ų | 123 | 95.6 Ų | 95.6 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 175.7 | -178.7 | 86.6 | 0 | 0 | 0 | 111.8 | S154 N155 K156 S161 N162 | S154-W158 WeakPolarHBondContact O-CB 3.37Å; S154-W158 PolarHBondContact O-N 2.95Å; N155-W158 PolarHBondContact O-N 2.8Å; K156-W158 VanDerWaalsContact C-N 3.32Å; W158-S161 WeakPolarHBondContact CA-OG 3.33Å; W158-S161 PolarHBondContact O-N 3.42Å; W158-S161 PolarHBondContact O-OG 3.42Å; W158-N162 PolarHBondContact O-N 3.38Å; W158-N162 VanDerWaalsContact O-N 3.08Å; W158-N162 PolarHBondContact O-ND2 3.14Å |
| 159 | Q | 66.1 | Low | 56.7 | Low | 102 Ų | 102 | 92.3 Ų | 92.3 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.3 | -55.9 | 174.9 | -74.7 | 173.4 | -48.3 | 0 | 0 | 111.5 | N155 K156 S161 N162 E163 | N155-Q159 WeakPolarHBondContact O-CB 3.38Å; N155-Q159 WeakPolarHBondContact O-CG 3.14Å; N155-Q159 PolarHBondContact O-N 3.32Å; K156-Q159 PolarHBondContact O-N 3.06Å; Q159-S161 VanDerWaalsContact C-N 3.26Å; Q159-S161 PolarHBondContact O-N 3.4Å; Q159-N162 PolarHBondContact O-N 2.89Å; Q159-E163 WeakPolarHBondContact O-CG 3.46Å; Q159-E163 PolarHBondContact O-N 3.01Å |
| 160 | Q | 66.8 | Low | 57 | Low | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.6 | -37.4 | 178.8 | -71.6 | 177.6 | -30.6 | 0 | 0 | 112.7 | K156 I164 | K156-Q160 WeakPolarHBondContact O-CB 2.81Å; K156-Q160 WeakPolarHBondContact O-CG 3.27Å; K156-Q160 PolarHBondContact O-N 3.41Å; Q160-I164 WeakPolarHBondContact O-CB 3.48Å; Q160-I164 WeakPolarHBondContact O-CD1 3.4Å; Q160-I164 VanDerWaalsContact O-CG1 3.25Å; Q160-I164 WeakPolarHBondContact O-CG1 3.48Å; Q160-I164 PolarHBondContact O-N 3.12Å |
| 161 | S | 62 | Low | 57.3 | Low | 24 Ų | 24 | 93.4 Ų | 93.4 | 17% | 0.168 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 177 | 69.8 | 0 | 0 | 0 | 0 | 113 | I157 W158 Q159 L165 | I157-S161 VanDerWaalsContact O-CB 3.29Å; I157-S161 WeakPolarHBondContact O-CB 3.43Å; I157-S161 PolarHBondContact O-N 3.45Å; I157-S161 PolarHBondContact O-OG 2.94Å; W158-S161 WeakPolarHBondContact CA-OG 3.33Å; W158-S161 PolarHBondContact O-N 3.42Å; W158-S161 PolarHBondContact O-OG 3.42Å; Q159-S161 VanDerWaalsContact C-N 3.26Å; Q159-S161 PolarHBondContact O-N 3.4Å; S161-L165 WeakPolarHBondContact O-CB 3.33Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.45Å; S161-L165 PolarHBondContact O-N 3.35Å; S161-L165 VanDerWaalsContact O-N 3.08Å |
| 162 | N | 63.5 | Low | 57.1 | Low | 35 Ų | 35 | 94.3 Ų | 94.3 | 19% | 0.187 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -74.6 | -37.5 | 176.2 | -72.6 | -68.5 | 0 | 0 | 0 | 111.9 | W158 Q159 L165 N166 | W158-N162 PolarHBondContact O-N 3.38Å; W158-N162 VanDerWaalsContact O-N 3.08Å; W158-N162 PolarHBondContact O-ND2 3.14Å; Q159-N162 PolarHBondContact O-N 2.89Å; N162-L165 PolarHBondContact O-N 3.39Å; N162-N166 WeakPolarHBondContact O-CB 3.47Å; N162-N166 PolarHBondContact O-N 2.89Å; N162-N166 PolarHBondContact O-ND2 3.38Å; N162-N166 VanDerWaalsContact O-ND2 3.16Å |
| 163 | E | 64.5 | Low | 56.4 | Low | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.7 | -55.1 | 172.9 | -70.6 | 164.4 | 171.7 | 0 | 0 | 110.3 | Q159 L165 N166 D167 | Q159-E163 WeakPolarHBondContact O-CG 3.46Å; Q159-E163 PolarHBondContact O-N 3.01Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.84Å; E163-N166 PolarHBondContact O-N 2.99Å; E163-N166 VanDerWaalsContact O-N 3.17Å; E163-D167 PolarHBondContact O-N 3.42Å |
| 164 | I | 62.8 | Low | 56 | Low | 85 Ų | 85 | 92.3 Ų | 92.3 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.9 | -39.6 | 178.4 | -67.3 | 165.8 | 0 | 0 | 0 | 112.1 | Q160 T168 | Q160-I164 WeakPolarHBondContact O-CB 3.48Å; Q160-I164 WeakPolarHBondContact O-CD1 3.4Å; Q160-I164 VanDerWaalsContact O-CG1 3.25Å; Q160-I164 WeakPolarHBondContact O-CG1 3.48Å; Q160-I164 PolarHBondContact O-N 3.12Å; I164-T168 WeakPolarHBondContact O-CB 3.48Å; I164-T168 PolarHBondContact O-N 3.09Å; I164-T168 VanDerWaalsContact O-N 3.07Å; I164-T168 PolarHBondContact O-OG1 3.46Å |
| 165 | L | 56.8 | Low | 55.7 | Low | 31 Ų | 31 | 97.1 Ų | 97.1 | 16% | 0.162 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 177.2 | -79.1 | 167.7 | 0 | 0 | 0 | 112.1 | S161 N162 E163 T168 F169 L183 L186 L190 | S161-L165 WeakPolarHBondContact O-CB 3.33Å; S161-L165 WeakPolarHBondContact O-CD1 3.48Å; S161-L165 WeakPolarHBondContact O-CG 3.45Å; S161-L165 PolarHBondContact O-N 3.35Å; S161-L165 VanDerWaalsContact O-N 3.08Å; N162-L165 PolarHBondContact O-N 3.39Å; E163-L165 VanDerWaalsContact C-N 3.31Å; E163-L165 PolarHBondContact O-N 2.84Å; L165-T168 PolarHBondContact O-N 3.24Å; L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 2.8Å; L165-F169 VanDerWaalsContact O-N 3.08Å; L165-L183 HydrophobicContact CD2-CD1 4.19Å; L165-L186 HydrophobicContact CD1-CD2 4.14Å; L165-L186 HydrophobicContact CD2-CD2 4.01Å; L165-L190 HydrophobicContact CD1-CD1 4.1Å |
| 166 | N | 57.5 | Low | 54.9 | Low | 96 Ų | 96 | 97.6 Ų | 97.6 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 179 | -69.9 | -25.5 | 0 | 0 | 0 | 111.3 | N162 E163 T168 F169 N170 | N162-N166 WeakPolarHBondContact O-CB 3.47Å; N162-N166 PolarHBondContact O-N 2.89Å; N162-N166 PolarHBondContact O-ND2 3.38Å; N162-N166 VanDerWaalsContact O-ND2 3.16Å; E163-N166 PolarHBondContact O-N 2.99Å; E163-N166 VanDerWaalsContact O-N 3.17Å; N166-T168 PolarHBondContact O-N 3.37Å; N166-F169 PolarHBondContact O-N 3.31Å; N166-N170 WeakPolarHBondContact O-CB 3.28Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3Å; N166-N170 PolarHBondContact O-ND2 3.44Å; N166-N170 VanDerWaalsContact O-ND2 3.11Å |
| 167 | D | 57.4 | Low | 54.1 | Low | 110 Ų | 110 | 96.7 Ų | 96.7 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 178.5 | -68.7 | -20.6 | 0 | 0 | 0 | 112 | E163 T171 | E163-D167 PolarHBondContact O-N 3.42Å; D167-T171 PolarHBondContact O-OG1 2.94Å |
| 168 | T | 55.8 | Low | 53.6 | Low | 74 Ų | 74 | 96.8 Ų | 96.8 | 45% | 0.454 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.3 | -33.2 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 113 | I164 L165 N166 T171 T172 | I164-T168 WeakPolarHBondContact O-CB 3.48Å; I164-T168 PolarHBondContact O-N 3.09Å; I164-T168 VanDerWaalsContact O-N 3.07Å; I164-T168 PolarHBondContact O-OG1 3.46Å; L165-T168 PolarHBondContact O-N 3.24Å; N166-T168 PolarHBondContact O-N 3.37Å; T168-T171 PolarHBondContact O-OG1 3.48Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; T168-T172 PolarHBondContact O-OG1 2.83Å |
| 169 | F | 45 | Very low | 52.9 | Low | 95 Ų | 95 | 94.1 Ų | 94.1 | 42% | 0.417 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -85.2 | -26.7 | 180 | -89 | -90 | 0 | 0 | 0 | 113.7 | L165 N166 T171 L183 | L165-F169 HydrophobicContact CD2-CE2 4.46Å; L165-F169 WeakPolarHBondContact O-CD2 3.47Å; L165-F169 PolarHBondContact O-N 2.8Å; L165-F169 VanDerWaalsContact O-N 3.08Å; N166-F169 PolarHBondContact O-N 3.31Å; F169-T171 PolarHBondContact O-N 2.81Å; F169-L183 HydrophobicContact CE2-CD1 4.31Å |
| 170 | N | 48.2 | Very low | 52.6 | Low | 129 Ų | 129 | 93.9 Ų | 93.9 | 69% | 0.69 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -13.3 | 172.8 | -76.2 | -32.1 | 0 | 0 | 0 | 113.7 | N166 | N166-N170 WeakPolarHBondContact O-CB 3.28Å; N166-N170 VanDerWaalsContact O-CG 3.27Å; N166-N170 PolarHBondContact O-N 3Å; N166-N170 PolarHBondContact O-ND2 3.44Å; N166-N170 VanDerWaalsContact O-ND2 3.11Å |
| 171 | T | 49.1 | Very low | 52.5 | Low | 111 Ų | 111 | 93.5 Ų | 93.5 | 68% | 0.681 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.3 | -2.7 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 115.3 | D167 T168 F169 | D167-T171 PolarHBondContact O-OG1 2.94Å; T168-T171 PolarHBondContact O-OG1 3.48Å; T168-T171 VanDerWaalsContact O-OG1 3.08Å; F169-T171 PolarHBondContact O-N 2.81Å |
| 172 | T | 42 | Very low | 52.4 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | | | trans | -129.4 | 59.8 | -166 | -40.7 | 0 | 0 | 0 | 0 | 113.7 | T168 T174 | T168-T172 PolarHBondContact O-OG1 2.83Å; T172-T174 PolarHBondContact O-N 2.67Å |
| 173 | T | 36.1 | Very low | 52.5 | Low | 131 Ų | 131 | 96.7 Ų | 96.7 | 80% | 0.804 | 53% | 0.532 | S | S | * | . | | | trans | -81.2 | 59.1 | -169.7 | -39.2 | 0 | 0 | 0 | 0 | 115 | | |
| 174 | T | 43.9 | Very low | 52.7 | Low | 106 Ų | 106 | 95.6 Ų | 95.6 | 65% | 0.65 | 53% | 0.529 | S | S | * | . | | | trans | -142.7 | 107.4 | 170.6 | 54.6 | 0 | 0 | 0 | 0 | 115 | T172 | T172-T174 PolarHBondContact O-N 2.67Š|
| 175 | N | 37.7 | Very low | 52.9 | Low | 160 Ų | 160 | 97.4 Ų | 97.4 | 86% | 0.856 | 53% | 0.531 | S | S | * | . | | | trans | 37.2 | 93.1 | 140.4 | -56.9 | -16.7 | 0 | 0 | 0 | 119.4 | | |
| 176 | T | 43.5 | Very low | 53.3 | Low | 84 Ų | 84 | 97.8 Ų | 97.8 | 52% | 0.515 | 53% | 0.533 | S | S | . | . | | | trans | -163.8 | 132.6 | 142.2 | -2 | 0 | 0 | 0 | 0 | 110.4 | D178 N179 | T176-D178 VanDerWaalsContact C-N 3.31Å; T176-D178 PolarHBondContact O-N 2.78Å; T176-N179 PolarHBondContact O-N 2.79Å; T176-N179 PolarHBondContact OG1-ND2 2.96Å |
| 177 | T | 51.9 | Low | 53.7 | Low | 112 Ų | 112 | 97.5 Ų | 97.5 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -36 | -179.5 | 37.8 | 0 | 0 | 0 | 0 | 112.8 | N179 N180 | T177-N179 PolarHBondContact O-N 2.87Å; T177-N180 WeakPolarHBondContact O-CB 3.37Å; T177-N180 PolarHBondContact O-N 3.17Å; T177-N180 VanDerWaalsContact O-N 3.08Å |
| 178 | D | 52.4 | Low | 54.2 | Low | 106 Ų | 106 | 94.9 Ų | 94.9 | 57% | 0.567 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -23.9 | -174.6 | -53.6 | -6.2 | 0 | 0 | 0 | 112.8 | T176 N180 D181 Q182 | T176-D178 VanDerWaalsContact C-N 3.31Å; T176-D178 PolarHBondContact O-N 2.78Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.29Å; D178-D181 PolarHBondContact O-N 3.13Å; D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 VanDerWaalsContact O-N 3.1Å |
| 179 | N | 47.8 | Very low | 54.9 | Low | 68 Ų | 68 | 97.3 Ų | 97.3 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -33.1 | 176.6 | -67.7 | -28.7 | 0 | 0 | 0 | 112 | T176 T177 Q182 L183 | T176-N179 PolarHBondContact O-N 2.79Å; T176-N179 PolarHBondContact OG1-ND2 2.96Å; T177-N179 PolarHBondContact O-N 2.87Å; N179-Q182 PolarHBondContact O-N 2.74Å; N179-L183 WeakPolarHBondContact O-CB 3.23Å; N179-L183 PolarHBondContact O-N 3.19Å |
| 180 | N | 59 | Low | 56 | Low | 97 Ų | 97 | 94 Ų | 94 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 176.6 | -73.3 | -20.9 | 0 | 0 | 0 | 111.2 | T177 D178 L183 N184 | T177-N180 WeakPolarHBondContact O-CB 3.37Å; T177-N180 PolarHBondContact O-N 3.17Å; T177-N180 VanDerWaalsContact O-N 3.08Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.29Å; N180-L183 PolarHBondContact O-N 3.33Å; N180-N184 VanDerWaalsContact O-CB 3.32Å; N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.24Å; N180-N184 PolarHBondContact O-ND2 3.24Å; N180-N184 VanDerWaalsContact O-ND2 3.13Å |
| 181 | D | 65.9 | Low | 57 | Low | 107 Ų | 107 | 94.4 Ų | 94.4 | 57% | 0.572 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -34.9 | 176.5 | -89.9 | 5.5 | 0 | 0 | 0 | 112.4 | D178 R185 | D178-D181 PolarHBondContact O-N 3.13Å; D181-R185 WeakPolarHBondContact O-CB 3.43Å; D181-R185 WeakPolarHBondContact O-CD 3.38Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.88Å |
| 182 | Q | 60.5 | Low | 57.8 | Low | 89 Ų | 89 | 95.6 Ų | 95.6 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.2 | -42.2 | 170.8 | -68.1 | -163.6 | 46.4 | 0 | 0 | 112.1 | D178 N179 R185 L186 | D178-Q182 PolarHBondContact O-N 3.4Å; D178-Q182 VanDerWaalsContact O-N 3.1Å; N179-Q182 PolarHBondContact O-N 2.74Å; Q182-R185 PolarHBondContact O-N 3.47Å; Q182-L186 VanDerWaalsContact O-CB 3.32Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.95Å |
| 183 | L | 64.3 | Low | 58.4 | Low | 37 Ų | 37 | 95 Ų | 95 | 19% | 0.194 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 176 | -175.9 | 64 | 0 | 0 | 0 | 111.8 | L165 F169 N179 N180 R185 L186 Q187 | L165-L183 HydrophobicContact CD2-CD1 4.19Å; F169-L183 HydrophobicContact CE2-CD1 4.31Å; N179-L183 WeakPolarHBondContact O-CB 3.23Å; N179-L183 PolarHBondContact O-N 3.19Å; N180-L183 PolarHBondContact O-N 3.33Å; L183-R185 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.32Å; L183-Q187 WeakPolarHBondContact O-CB 3.31Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.25Å |
| 184 | N | 68.9 | Low | 58.8 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 176.3 | -74.3 | -31 | 0 | 0 | 0 | 111.7 | N180 Q187 A188 | N180-N184 VanDerWaalsContact O-CB 3.32Å; N180-N184 WeakPolarHBondContact O-CB 3.4Å; N180-N184 PolarHBondContact O-N 3.24Å; N180-N184 PolarHBondContact O-ND2 3.24Å; N180-N184 VanDerWaalsContact O-ND2 3.13Å; N184-Q187 PolarHBondContact O-N 3.07Å; N184-A188 WeakPolarHBondContact O-CB 3.42Å; N184-A188 PolarHBondContact O-N 2.95Å |
| 185 | R | 66.2 | Low | 58.7 | Low | 123 Ų | 123 | 98.9 Ų | 98.9 | 46% | 0.464 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 177.3 | -71 | 170.8 | 70.8 | -103.1 | -1.6 | 112.2 | D181 Q182 L183 W189 | D181-R185 WeakPolarHBondContact O-CB 3.43Å; D181-R185 WeakPolarHBondContact O-CD 3.38Å; D181-R185 WeakPolarHBondContact O-CG 3.46Å; D181-R185 PolarHBondContact O-N 2.88Å; Q182-R185 PolarHBondContact O-N 3.47Å; L183-R185 PolarHBondContact O-N 3.13Å; R185-W189 WeakPolarHBondContact O-CB 3.37Å; R185-W189 PolarHBondContact O-N 3.28Å |
| 186 | L | 66.8 | Low | 58.9 | Low | 39 Ų | 39 | 100.2 Ų | 100.2 | 20% | 0.204 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -69.2 | -43.4 | 175.8 | -160.6 | 74 | 0 | 0 | 0 | 111.4 | L165 Q182 L183 W189 L190 L206 | L165-L186 HydrophobicContact CD1-CD2 4.14Å; L165-L186 HydrophobicContact CD2-CD2 4.01Å; Q182-L186 VanDerWaalsContact O-CB 3.32Å; Q182-L186 WeakPolarHBondContact O-CB 3.43Å; Q182-L186 PolarHBondContact O-N 2.95Å; L183-L186 PolarHBondContact O-N 3.32Å; L186-W189 PolarHBondContact O-N 3.46Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.34Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.28Å; L186-L206 HydrophobicContact CD1-CD2 3.8Å |
| 187 | Q | 66.2 | Low | 58.4 | Low | 90 Ų | 90 | 106.1 Ų | 106.1 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 174 | -74.7 | -177.6 | -5.8 | 0 | 0 | 112 | L183 N184 L190 K191 | L183-Q187 WeakPolarHBondContact O-CB 3.31Å; L183-Q187 WeakPolarHBondContact O-CG 3.47Å; L183-Q187 PolarHBondContact O-N 3.25Å; N184-Q187 PolarHBondContact O-N 3.07Å; Q187-L190 PolarHBondContact O-N 3.04Å; Q187-K191 VanDerWaalsContact O-CB 3.25Å; Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 PolarHBondContact O-N 3.48Å |
| 188 | A | 66.8 | Low | 57.8 | Low | 56 Ų | 56 | 107 Ų | 107 | 46% | 0.463 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N184 K191 Y192 | N184-A188 WeakPolarHBondContact O-CB 3.42Å; N184-A188 PolarHBondContact O-N 2.95Å; A188-K191 PolarHBondContact O-N 2.88Å; A188-Y192 PolarHBondContact O-N 2.83Å |
| 189 | W | 70.3 | Confident | 57.3 | Low | 124 Ų | 124 | 108.9 Ų | 108.9 | 47% | 0.47 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 176.7 | -177.8 | 77.2 | 0 | 0 | 0 | 112.8 | R185 L186 K191 Y192 P193 | R185-W189 WeakPolarHBondContact O-CB 3.37Å; R185-W189 PolarHBondContact O-N 3.28Å; L186-W189 PolarHBondContact O-N 3.46Å; W189-K191 VanDerWaalsContact C-N 3.28Å; W189-K191 PolarHBondContact O-N 2.86Å; W189-Y192 CarbonylContact O-C 3.09Å; W189-Y192 VanDerWaalsContact O-C 3.28Å; W189-Y192 PolarHBondContact O-N 3.44Å; W189-P193 WeakPolarHBondContact O-CA 3.08Å; W189-P193 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 68.6 | Low | 57.1 | Low | 26 Ų | 26 | 112.2 Ų | 112.2 | 14% | 0.136 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -64.4 | -31.7 | 175.2 | -73.9 | 170.2 | 0 | 0 | 0 | 112.5 | L165 L186 Q187 | L165-L190 HydrophobicContact CD1-CD1 4.1Å; L186-L190 HydrophobicContact CG-CD1 4.34Å; L186-L190 WeakPolarHBondContact O-CB 3.34Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.38Å; L186-L190 PolarHBondContact O-N 3.28Å; Q187-L190 PolarHBondContact O-N 3.04Å |
| 191 | K | 69.7 | Low | 56.5 | Low | 137 Ų | 137 | 117.1 Ų | 117.1 | 60% | 0.596 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -74.8 | -32.1 | 176.5 | -170.1 | 177.2 | -179.9 | 179.8 | 0 | 112.7 | Q187 A188 W189 | Q187-K191 VanDerWaalsContact O-CB 3.25Å; Q187-K191 WeakPolarHBondContact O-CB 3.49Å; Q187-K191 PolarHBondContact O-N 3.48Å; A188-K191 PolarHBondContact O-N 2.88Å; W189-K191 VanDerWaalsContact C-N 3.28Å; W189-K191 PolarHBondContact O-N 2.86Å |
| 192 | Y | 64.7 | Low | 55.4 | Low | 136 Ų | 136 | 116.5 Ų | 116.5 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | | | trans | -135.8 | 67.1 | -179.4 | -59.7 | -68.2 | 0 | 0 | 0 | 114 | A188 W189 L194 H195 | A188-Y192 PolarHBondContact O-N 2.83Å; W189-Y192 CarbonylContact O-C 3.09Å; W189-Y192 VanDerWaalsContact O-C 3.28Å; W189-Y192 PolarHBondContact O-N 3.44Å; Y192-L194 PolarHBondContact O-N 2.96Å; Y192-H195 PolarHBondContact O-N 3.41Å; Y192-H195 VanDerWaalsContact O-N 3.1Å |
| 193 | P | 55 | Low | 54.7 | Low | 77 Ų | 77 | 115.8 Ų | 115.8 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -3.6 | -170.9 | -23.3 | 34.9 | 0 | 0 | 0 | 116.7 | W189 | W189-P193 WeakPolarHBondContact O-CA 3.08Å; W189-P193 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 44.3 | Very low | 53.8 | Low | 170 Ų | 170 | 118.1 Ų | 118.1 | 89% | 0.89 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 6.4 | -176.6 | -63.6 | 175.5 | 0 | 0 | 0 | 113.1 | Y192 | Y192-L194 PolarHBondContact O-N 2.96Š|
| 195 | H | 41.7 | Very low | 52.9 | Low | 149 Ų | 149 | 119.3 Ų | 119.3 | 69% | 0.69 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -127.9 | 37.4 | -159.9 | -133.1 | -72.9 | 0 | 0 | 0 | 116.2 | Y192 | Y192-H195 PolarHBondContact O-N 3.41Å; Y192-H195 VanDerWaalsContact O-N 3.1Å |
| 196 | E | 42.5 | Very low | 52 | Low | 188 Ų | 188 | 116.3 Ų | 116.3 | 88% | 0.879 | 56% | 0.559 | S | S | * | * | | | trans | -156.2 | 144.7 | 149.4 | -117.7 | 159.4 | -160.6 | 0 | 0 | 111.6 | | |
| 197 | Y | 33.6 | Very low | 51.4 | Low | 209 Ų | 209 | 119.3 Ų | 119.3 | 82% | 0.82 | 58% | 0.575 | S | S | * | * | | | trans | -105.9 | 45.5 | -167.2 | -130.9 | -84.1 | 0 | 0 | 0 | 112.4 | | |
| 198 | D | 38.4 | Very low | 50.5 | Low | 129 Ų | 129 | 119.4 Ų | 119.4 | 69% | 0.69 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -142 | 162.9 | 176.4 | -107.2 | -49.6 | 0 | 0 | 0 | 113 | I200 | D198-I200 PolarHBondContact O-N 3.31Š|
| 199 | H | 42.7 | Very low | 49.5 | Very low | 147 Ų | 147 | 120.2 Ų | 120.2 | 68% | 0.681 | 57% | 0.572 | S | S | * | * | | | trans | 62.3 | 31.8 | 175.2 | -52.3 | -61.9 | 0 | 0 | 0 | 118.7 | K201 | H199-K201 PolarHBondContact O-N 2.91Š|
| 200 | I | 41.9 | Very low | 48.6 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 71% | 0.708 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 55 | 172.9 | -40.2 | -180 | 0 | 0 | 0 | 112.8 | D198 | D198-I200 PolarHBondContact O-N 3.31Š|
| 201 | K | 46.4 | Very low | 47.6 | Very low | 200 Ų | 200 | 121.8 Ų | 121.8 | 87% | 0.87 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | -14 | 170.8 | -158 | -179.9 | 179 | -173.3 | 0 | 113.2 | H199 | H199-K201 PolarHBondContact O-N 2.91Š|
| 202 | W | 43.3 | Very low | 46.6 | Very low | 94 Ų | 94 | 119.8 Ų | 119.8 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -88.1 | -27.6 | -171.5 | -155.1 | 63.6 | 0 | 0 | 0 | 114.4 | S204 L206 | W202-S204 PolarHBondContact O-N 3.11Å; W202-L206 HydrophobicContact CE3-CD2 4.44Å; W202-L206 HydrophobicContact CH2-CD1 4.34Å; W202-L206 HydrophobicContact CH2-CD2 4.11Å; W202-L206 HydrophobicContact CZ3-CD2 3.8Å |
| 203 | N | 45.5 | Very low | 45.7 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 39% | 0.39 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -79.6 | -7.4 | -165 | -73.7 | -0.7 | 0 | 0 | 0 | 116.8 | L207 | N203-L207 WeakPolarHBondContact O-CB 3.05Å |
| 204 | S | 47.2 | Very low | 45.2 | Very low | 86 Ų | 86 | 122 Ų | 122 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -78.6 | -46.1 | 171.7 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | W202 E208 | W202-S204 PolarHBondContact O-N 3.11Å; S204-E208 PolarHBondContact O-N 3.4Å |
| 205 | Q | 48.6 | Very low | 45.2 | Very low | 115 Ų | 115 | 119.1 Ų | 119.1 | 54% | 0.537 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.8 | -42.2 | -171.7 | -149 | 74.3 | 10.9 | 0 | 0 | 111.8 | N209 | Q205-N209 WeakPolarHBondContact O-CB 3.34Å; Q205-N209 PolarHBondContact O-N 3.36Å; Q205-N209 PolarHBondContact O-ND2 3.46Å; Q205-N209 PolarHBondContact O-OD1 3.17Å |
| 206 | L | 48.3 | Very low | 45.1 | Very low | 60 Ų | 60 | 120.8 Ų | 120.8 | 31% | 0.314 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -45.1 | 179.6 | -164.5 | 74.9 | 0 | 0 | 0 | 111.3 | L186 W202 N209 T210 | L186-L206 HydrophobicContact CD1-CD2 3.8Å; W202-L206 HydrophobicContact CE3-CD2 4.44Å; W202-L206 HydrophobicContact CH2-CD1 4.34Å; W202-L206 HydrophobicContact CH2-CD2 4.11Å; W202-L206 HydrophobicContact CZ3-CD2 3.8Å; L206-N209 PolarHBondContact O-N 3.09Å; L206-T210 PolarHBondContact O-N 2.86Å; L206-T210 PolarHBondContact O-OG1 3.16Å |
| 207 | L | 52.7 | Low | 44.6 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.5 | -41.7 | -179.1 | -173.5 | 63.7 | 0 | 0 | 0 | 112.2 | N203 N209 T210 M211 | N203-L207 WeakPolarHBondContact O-CB 3.05Å; L207-N209 VanDerWaalsContact C-N 3.34Å; L207-T210 WeakPolarHBondContact CA-OG1 3.44Å; L207-T210 PolarHBondContact O-OG1 3.1Å; L207-M211 HydrophobicContact CD1-CE 4.3Å; L207-M211 PolarHBondContact O-N 3.06Å |
| 208 | E | 48 | Very low | 44.4 | Very low | 91 Ų | 91 | 110.1 Ų | 110.1 | 43% | 0.425 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.1 | -41.2 | 171.6 | -82.4 | -163.5 | -157.1 | 0 | 0 | 111.9 | S204 M211 K212 | S204-E208 PolarHBondContact O-N 3.4Å; E208-M211 PolarHBondContact O-N 2.87Å; E208-K212 WeakPolarHBondContact O-CB 3.06Å; E208-K212 WeakPolarHBondContact O-CD 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 2.94Å; E208-K212 WeakPolarHBondContact OE2-CE 3.46Å; E208-K212 IonicContact OE2-NZ 2.67Å; E208-K212 PolarHBondContact OE2-NZ 2.86Å |
| 209 | N | 47 | Very low | 44.1 | Very low | 74 Ų | 74 | 114.3 Ų | 114.3 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.5 | -43 | 179.9 | -72.2 | -5.9 | 0 | 0 | 0 | 112 | Q205 L206 L207 M211 K212 I213 | Q205-N209 WeakPolarHBondContact O-CB 3.34Å; Q205-N209 PolarHBondContact O-N 3.36Å; Q205-N209 PolarHBondContact O-ND2 3.46Å; Q205-N209 PolarHBondContact O-OD1 3.17Å; L206-N209 PolarHBondContact O-N 3.09Å; L207-N209 VanDerWaalsContact C-N 3.34Å; N209-M211 VanDerWaalsContact C-N 3.34Å; N209-M211 PolarHBondContact O-N 3.28Å; N209-K212 PolarHBondContact O-N 2.88Å; N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.33Å; N209-I213 PolarHBondContact O-N 3.06Å |
| 210 | T | 50.4 | Low | 43.5 | Very low | 67 Ų | 67 | 112.6 Ų | 112.6 | 41% | 0.411 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.1 | -40.2 | 175.8 | 46.3 | 0 | 0 | 0 | 0 | 112.5 | L206 L207 I213 Q214 | L206-T210 PolarHBondContact O-N 2.86Å; L206-T210 PolarHBondContact O-OG1 3.16Å; L207-T210 WeakPolarHBondContact CA-OG1 3.44Å; L207-T210 PolarHBondContact O-OG1 3.1Å; T210-I213 PolarHBondContact O-N 3.5Å; T210-Q214 PolarHBondContact O-N 3.34Å |
| 211 | M | 47.6 | Very low | 43.3 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 57% | 0.567 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.3 | -30.7 | 176.6 | -70.5 | -174.1 | 170.7 | 0 | 0 | 112.9 | L207 E208 N209 T215 | L207-M211 HydrophobicContact CD1-CE 4.3Å; L207-M211 PolarHBondContact O-N 3.06Å; E208-M211 PolarHBondContact O-N 2.87Å; N209-M211 VanDerWaalsContact C-N 3.34Å; N209-M211 PolarHBondContact O-N 3.28Å; M211-T215 WeakPolarHBondContact O-CG2 3.43Å; M211-T215 PolarHBondContact O-N 3.2Å; M211-T215 PolarHBondContact O-OG1 2.96Å |
| 212 | K | 49.2 | Very low | 42.5 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 41% | 0.413 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.3 | -29.1 | 173.1 | -73.1 | 164.1 | -166.5 | 170.3 | 0 | 112.9 | E208 N209 T215 | E208-K212 WeakPolarHBondContact O-CB 3.06Å; E208-K212 WeakPolarHBondContact O-CD 3.35Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 2.94Å; E208-K212 WeakPolarHBondContact OE2-CE 3.46Å; E208-K212 IonicContact OE2-NZ 2.67Å; E208-K212 PolarHBondContact OE2-NZ 2.86Å; N209-K212 PolarHBondContact O-N 2.88Å; K212-T215 WeakPolarHBondContact CA-OG1 3.25Å; K212-T215 PolarHBondContact O-OG1 3.05Å |
| 213 | I | 45.7 | Very low | 42.1 | Very low | 125 Ų | 125 | 112.6 Ų | 112.6 | 64% | 0.641 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.9 | -48.9 | 174.5 | -69.8 | 162.8 | 0 | 0 | 0 | 110.2 | N209 T210 T215 K216 | N209-I213 VanDerWaalsContact O-CG1 3.31Å; N209-I213 WeakPolarHBondContact O-CG1 3.33Å; N209-I213 PolarHBondContact O-N 3.06Å; T210-I213 PolarHBondContact O-N 3.5Å; I213-T215 PolarHBondContact O-N 3.39Å; I213-T215 VanDerWaalsContact O-N 3.13Å; I213-K216 PolarHBondContact O-N 3.17Å |
| 214 | Q | 43.2 | Very low | 41.5 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.2 | -19.1 | 178.3 | -72 | -178.8 | -21.5 | 0 | 0 | 114.3 | T210 | T210-Q214 PolarHBondContact O-N 3.34Å |
| 215 | T | 45.4 | Very low | 40.8 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 67% | 0.669 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 3.9 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 114.3 | M211 K212 I213 | M211-T215 WeakPolarHBondContact O-CG2 3.43Å; M211-T215 PolarHBondContact O-N 3.2Å; M211-T215 PolarHBondContact O-OG1 2.96Å; K212-T215 WeakPolarHBondContact CA-OG1 3.25Å; K212-T215 PolarHBondContact O-OG1 3.05Å; I213-T215 PolarHBondContact O-N 3.39Å; I213-T215 VanDerWaalsContact O-N 3.13Å |
| 216 | K | 39.2 | Very low | 39.8 | Very low | 184 Ų | 184 | 120.9 Ų | 120.9 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -138.8 | 45.8 | -179.6 | -65 | -169 | 174.8 | -170.1 | 0 | 112.7 | I213 | I213-K216 PolarHBondContact O-N 3.17Š|
| 217 | G | 31.5 | Very low | 39 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 67% | 0.674 | S | S | * | * | | | trans | -116.9 | 18.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 218 | S | 29.9 | Very low | 37.9 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | | | trans | -156.3 | 85.1 | -179.6 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 219 | F | 32.7 | Very low | 37.2 | Very low | 217 Ų | 217 | 129.9 Ų | 129.9 | 95% | 0.952 | 70% | 0.702 | S | S | * | * | | | trans | -174.8 | 124.4 | 145.8 | -100.7 | -64.6 | 0 | 0 | 0 | 108.4 | | |
| 220 | S | 29.2 | Very low | 36.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | | | trans | -94.9 | 138.7 | 175 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 221 | E | 37.3 | Very low | 35.7 | Very low | 199 Ų | 199 | 134 Ų | 134 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | | | trans | -157.3 | 167.1 | 138.9 | -123 | 168 | -151.3 | 0 | 0 | 112.4 | | |
| 222 | N | 29.4 | Very low | 35.2 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 81% | 0.807 | 75% | 0.748 | S | S | * | * | | | trans | -113.1 | 145.7 | -153.8 | -108.4 | -45.7 | 0 | 0 | 0 | 114.6 | | |
| 223 | S | 35.7 | Very low | 34.4 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 58% | 0.58 | 77% | 0.768 | S | S | * | * | | | trans | 79.9 | 133.5 | 146.1 | 84.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 224 | K | 33.4 | Very low | 33.6 | Very low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | | | trans | 69.8 | 143.3 | 149.7 | -60.5 | 151.4 | -169.8 | 166.7 | 0 | 117.2 | | |
| 225 | S | 32.7 | Very low | 33 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | cis | -162 | 138.5 | -9.8 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 226 | I | 27.2 | Very low | 32.4 | Very low | 150 Ų | 150 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 5 | 120.8 | 148.5 | -54 | 165.4 | 0 | 0 | 0 | 117.2 | | |
| 227 | L | 31.1 | Very low | 31.9 | Very low | 164 Ų | 164 | 131.3 Ų | 131.3 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | | -155.1 | 152.8 | 121.8 | -138.5 | 83.1 | 0 | 0 | 0 | 111.9 | | |
| 228 | T | 29.3 | Very low | 32.1 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 79% | 0.791 | S | S | * | * | | | trans | -133.5 | 125.9 | -169.1 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 229 | I | 34.7 | Very low | 32.1 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | trans | -147.3 | 124.5 | 159.5 | -49.9 | 179.1 | 0 | 0 | 0 | 109.8 | | |
| 230 | P | 31.2 | Very low | 32.3 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | -108.1 | 154.5 | 171.9 | 38.3 | -31.1 | 0 | 0 | 0 | 114.1 | | |
| 231 | T | 33.4 | Very low | 32.4 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | | | trans | 23.5 | 124.1 | 153.3 | 56.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 232 | T | 38.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | | | trans | -129.4 | 161 | 143.8 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 233 | T | 31 | Very low | 32.4 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | | | trans | -111.8 | 178.6 | -165.2 | 51.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 234 | S | 29.5 | Very low | 32.4 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | | | trans | 93.6 | 149.7 | 155.4 | -149 | 0 | 0 | 0 | 0 | 116.4 | | |
| 235 | T | 31.7 | Very low | 32.5 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | | | cis | 173.9 | 160.9 | -26 | -66.8 | 0 | 0 | 0 | 0 | 102.5 | | |
| 236 | V | 31 | Very low | 33.1 | Very low | 138 Ų | 138 | 136.2 Ų | 136.2 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | | | trans | 72.4 | 129.4 | 176.1 | -164.1 | 0 | 0 | 0 | 0 | 113 | | |
| 237 | G | 29.1 | Very low | 33.6 | Very low | 65 Ų | 65 | 136.4 Ų | 136.4 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -128 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 238 | T | 35.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | | | trans | -145.1 | 167.4 | 172.6 | 8.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 239 | K | 31.2 | Very low | 33.9 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | | | trans | -77.7 | 163.4 | -176.4 | -57.9 | 170.4 | -176.7 | 174.3 | 0 | 111.8 | | |
| 240 | N | 36.2 | Very low | 33.8 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | 108.1 | 130 | 163.6 | -55.3 | -8.9 | 0 | 0 | 0 | 113.4 | | |
| 241 | G | 31.2 | Very low | 33.9 | Very low | 78 Ų | 78 | 137.6 Ų | 137.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -91.2 | 152.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 242 | I | 36.5 | Very low | 33.9 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | | | trans | -124.7 | 136.3 | 159 | -64.5 | -179.2 | 0 | 0 | 0 | 106.7 | F244 | I242-F244 HydrophobicContact CG2-CD2 4.19Å; I242-F244 HydrophobicContact CG2-CE2 4Å |
| 243 | I | 30.5 | Very low | 33.7 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -82.3 | 127.8 | -175.8 | -61.2 | 165.8 | 0 | 0 | 0 | 109.4 | | |
| 244 | F | 35.7 | Very low | 33.8 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | -141.5 | 120 | 158.1 | -85.4 | -76.5 | 0 | 0 | 0 | 109.9 | I242 | I242-F244 HydrophobicContact CG2-CD2 4.19Å; I242-F244 HydrophobicContact CG2-CE2 4Å |
| 245 | N | 35.5 | Very low | 34.2 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 130.4 | 176.8 | -66.3 | -2.7 | 0 | 0 | 0 | 109.9 | | |
| 246 | P | 44.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 131.8 | 160.3 | 30.9 | -30.9 | 0 | 0 | 0 | 109.3 | | |
| 247 | I | 38.4 | Very low | 34.9 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 133.3 | 178.3 | -69 | 168.6 | 0 | 0 | 0 | 109.7 | S249 | I247-S249 PolarHBondContact O-N 3.41Š|
| 248 | E | 31 | Very low | 35.2 | Very low | 189 Ų | 189 | 137.2 Ų | 137.2 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.1 | 169.2 | -62.7 | -176.6 | 142.5 | 0 | 0 | 110.3 | | |
| 249 | S | 35.6 | Very low | 35.3 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -123.3 | 94 | 170.2 | 53.2 | 0 | 0 | 0 | 0 | 110.5 | I247 F251 | I247-S249 PolarHBondContact O-N 3.41Å; S249-F251 PolarHBondContact O-N 3.47Å |
| 250 | S | 31.6 | Very low | 35.6 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -72.1 | 108.5 | 178.1 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 251 | F | 34.4 | Very low | 35.5 | Very low | 178 Ų | 178 | 134 Ų | 134 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | -104 | 75.6 | 170.4 | -85.2 | -78.5 | 0 | 0 | 0 | 111.9 | S249 S253 | S249-F251 PolarHBondContact O-N 3.47Å; F251-S253 PolarHBondContact O-N 3.21Å |
| 252 | T | 32.4 | Very low | 35.6 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -84.3 | 82.7 | 168.8 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | S254 | T252-S254 PolarHBondContact O-N 3.42Š|
| 253 | S | 35.3 | Very low | 35.7 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | trans | -89.7 | 73.8 | -177.6 | -60 | 0 | 0 | 0 | 0 | 112.9 | F251 I255 | F251-S253 PolarHBondContact O-N 3.21Å; S253-I255 PolarHBondContact O-N 2.98Å |
| 254 | S | 33.6 | Very low | 36 | Very low | 106 Ų | 106 | 139.5 Ų | 139.5 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -75 | 107.1 | 169.4 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | T252 | T252-S254 PolarHBondContact O-N 3.42Š|
| 255 | I | 38.1 | Very low | 35.9 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 82% | 0.821 | 78% | 0.777 | S | S | * | * | | | trans | -89.3 | 114.3 | 177.3 | -60.2 | 179 | 0 | 0 | 0 | 109.9 | S253 | S253-I255 PolarHBondContact O-N 2.98Š|
| 256 | T | 37.6 | Very low | 36.2 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | -92.8 | 145.3 | 171.3 | 45.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 257 | P | 38.8 | Very low | 35.8 | Very low | 131 Ų | 131 | 140.7 Ų | 140.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -89.7 | 125.3 | 167.6 | 33 | -29.6 | 0 | 0 | 0 | 111 | | |
| 258 | S | 35.7 | Very low | 35.7 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -109.8 | 138.3 | 179.8 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 259 | P | 36.7 | Very low | 35.9 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | trans | -90 | 149.1 | 178.5 | 35.4 | -34.3 | 0 | 0 | 0 | 113.2 | | |
| 260 | I | 37.6 | Very low | 36 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 88% | 0.882 | 77% | 0.774 | S | S | * | * | | | trans | -137.8 | 155.5 | 172.3 | -63.3 | -175.8 | 0 | 0 | 0 | 109.6 | | |
| 261 | E | 34.8 | Very low | 36.3 | Very low | 138 Ų | 138 | 139.1 Ų | 139.1 | 65% | 0.645 | 77% | 0.77 | S | S | * | * | | | trans | -102.1 | 156.2 | -156.3 | -61.1 | -169.2 | 82.1 | 0 | 0 | 118.3 | | |
| 262 | R | 32.9 | Very low | 36.4 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | 49.8 | 129.3 | 137.2 | -70 | 167.8 | 170.5 | 154.6 | -9.7 | 121.7 | | |
| 263 | T | 37.9 | Very low | 36.8 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | | | | -164.4 | 161.9 | 114.1 | 13 | 0 | 0 | 0 | 0 | 112 | | |
| 264 | N | 36.9 | Very low | 37 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | | | trans | -101.6 | 160.5 | -168.2 | -63.6 | -47.5 | 0 | 0 | 0 | 114.4 | | |
| 265 | M | 34.1 | Very low | 37.3 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 91% | 0.906 | 76% | 0.764 | S | S | * | * | | | | -168.1 | 168.5 | 119.7 | -90.1 | -37.7 | 143.4 | 0 | 0 | 112.9 | | |
| 266 | K | 42.4 | Very low | 37.4 | Very low | 197 Ų | 197 | 139.5 Ų | 139.5 | 86% | 0.857 | 76% | 0.76 | S | S | * | * | | | trans | -104.5 | 157.5 | -170.5 | -68.1 | -178.8 | 176.2 | -178.7 | 0 | 114.6 | | |
| 267 | P | 36.2 | Very low | 37.3 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 61% | 0.61 | 76% | 0.761 | S | S | * | * | | | trans | -95.8 | 175.4 | 166.5 | 39.7 | -35.4 | 0 | 0 | 0 | 113.8 | | |
| 268 | V | 36.2 | Very low | 37.2 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | | | trans | -136.6 | 153.6 | 171.8 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 269 | S | 36 | Very low | 37.3 | Very low | 101 Ų | 101 | 144.4 Ų | 144.4 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | trans | -135.2 | 152.9 | -174.7 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 270 | N | 36.7 | Very low | 37.3 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | trans | -155.4 | 130.2 | 158.1 | -91.2 | -33.8 | 0 | 0 | 0 | 105.9 | | |
| 271 | N | 38 | Very low | 37.4 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 75% | 0.748 | S | S | * | * | | | | 69.8 | 134 | 72.5 | -58.7 | 5.4 | 0 | 0 | 0 | 111.7 | | |
| 272 | N | 35.5 | Very low | 37.5 | Very low | 129 Ų | 129 | 145.2 Ų | 145.2 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | | | cis | -163.1 | -162.9 | -1.7 | -106.2 | 4.7 | 0 | 0 | 0 | 107.7 | | |
| 273 | I | 40.8 | Very low | 37.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 86.5 | 135.3 | 159.2 | -51 | 172.7 | 0 | 0 | 0 | 115.7 | | |
| 274 | D | 40.8 | Very low | 37.4 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 68% | 0.679 | 75% | 0.754 | S | S | * | * | | | cis | -178.1 | 167.3 | -42.1 | -97.2 | -31.5 | 0 | 0 | 0 | 108.6 | | |
| 275 | N | 39.4 | Very low | 37.3 | Very low | 129 Ų | 129 | 142.2 Ų | 142.2 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | trans | 70.8 | 128.7 | 152 | -71.6 | 10.3 | 0 | 0 | 0 | 123.1 | | |
| 276 | D | 39.7 | Very low | 37.3 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | trans | 65.9 | 148.3 | 133.3 | -56.1 | -31 | 0 | 0 | 0 | 122.5 | | |
| 277 | T | 36.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | cis | 161.3 | 151.8 | -26.3 | -88.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 278 | E | 37 | Very low | 36.6 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | 81.5 | 92.2 | 176.6 | -47.9 | -135.7 | 159.2 | 0 | 0 | 120.2 | | |
| 279 | H | 36.5 | Very low | 36.5 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | | 36.7 | 109 | 111.7 | -171.3 | 33.5 | 0 | 0 | 0 | 119.9 | | |
| 280 | F | 37.3 | Very low | 36.3 | Very low | 196 Ų | 196 | 151 Ų | 151 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | | | trans | -147.6 | 174 | 148.3 | -103.3 | -73.3 | 0 | 0 | 0 | 111.3 | | |
| 281 | N | 39 | Very low | 36.2 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 58% | 0.578 | 76% | 0.761 | S | S | * | * | | | trans | -99 | 158.8 | -150.7 | -58.6 | -38.5 | 0 | 0 | 0 | 117.1 | | |
| 282 | D | 38.4 | Very low | 36.2 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | 52.6 | 109.7 | 144.4 | -60.5 | -31 | 0 | 0 | 0 | 122.2 | | |
| 283 | C | 32.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 157.9 Ų | 157.9 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | | 60 | 94.8 | 124.2 | -158.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 284 | E | 35.9 | Very low | 35.8 | Very low | 179 Ų | 179 | 162 Ų | 162 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -147.2 | 163.8 | 140 | -128.7 | -169.3 | 155.5 | 0 | 0 | 113.5 | | |
| 285 | L | 35.4 | Very low | 35.5 | Very low | 130 Ų | 130 | 164.2 Ų | 164.2 | 68% | 0.681 | 79% | 0.793 | S | S | * | * | | | trans | 53.4 | 82.9 | 176.6 | -78.4 | 83.4 | 0 | 0 | 0 | 118.4 | Q287 | L285-Q287 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact O-N 3.09Å |
| 286 | K | 33.9 | Very low | 35.2 | Very low | 176 Ų | 176 | 165.5 Ų | 165.5 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | -61.9 | 100.7 | 147.8 | -68.1 | 167.8 | -176.8 | 162 | 0 | 110 | E528 | K286-E528 IonicContact NZ-OE1 2.67Å; K286-E528 PolarHBondContact NZ-OE1 3.36Å |
| 287 | Q | 32.4 | Very low | 35.1 | Very low | 156 Ų | 156 | 166 Ų | 166 | 73% | 0.729 | 81% | 0.808 | S | S | * | * | | | trans | -162.1 | 156.1 | 159.2 | -110.4 | 158.8 | 101.1 | 0 | 0 | 109.6 | L285 | L285-Q287 PolarHBondContact O-N 3.22Å; L285-Q287 VanDerWaalsContact O-N 3.09Å |
| 288 | Y | 31.2 | Very low | 35 | Very low | 231 Ų | 231 | 168.3 Ų | 168.3 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 66.1 | 49.4 | -177.9 | -61.8 | -85.7 | 0 | 0 | 0 | 118.5 | | |
| 289 | E | 32.5 | Very low | 35 | Very low | 183 Ų | 183 | 167.8 Ų | 167.8 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | | | trans | -142.3 | 98.3 | 156 | -137.5 | 172.6 | -142.1 | 0 | 0 | 114.2 | | |
| 290 | N | 32.9 | Very low | 34.8 | Very low | 164 Ų | 164 | 167.4 Ų | 167.4 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -165 | 8.6 | 164.9 | -114.3 | -81 | 0 | 0 | 0 | 113.7 | | |
| 291 | N | 34.3 | Very low | 34.7 | Very low | 152 Ų | 152 | 165 Ų | 165 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -122.7 | 11.2 | -164.3 | -85.4 | -37.6 | 0 | 0 | 0 | 115.5 | | |
| 292 | H | 38.2 | Very low | 34.7 | Very low | 186 Ų | 186 | 165 Ų | 165 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -125.3 | 27 | -172.1 | -90.7 | 17.2 | 0 | 0 | 0 | 115.9 | | |
| 293 | H | 33.4 | Very low | 34.5 | Very low | 194 Ų | 194 | 165.6 Ų | 165.6 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -125.8 | 37.2 | 171.7 | -138.2 | 73.6 | 0 | 0 | 0 | 113.9 | | |
| 294 | R | 33.9 | Very low | 34.7 | Very low | 241 Ų | 241 | 166.3 Ų | 166.3 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -129.4 | 23.5 | -177.9 | -138.6 | -179.2 | -163.2 | -74.1 | -3.4 | 115.2 | | |
| 295 | Q | 35.4 | Very low | 34.4 | Very low | 174 Ų | 174 | 165.3 Ų | 165.3 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -131.7 | 160.7 | 171.6 | -67.3 | 179.4 | -10.9 | 0 | 0 | 108.9 | | |
| 296 | N | 33.4 | Very low | 34.4 | Very low | 156 Ų | 156 | 166.5 Ų | 166.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 71 | 56.9 | 179.5 | -56.4 | -21.5 | 0 | 0 | 0 | 117.8 | | |
| 297 | T | 36.1 | Very low | 34.6 | Very low | 145 Ų | 145 | 166.6 Ų | 166.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -153.2 | 54.6 | 147.3 | 8.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 298 | I | 35.8 | Very low | 34.7 | Very low | 162 Ų | 162 | 165.6 Ų | 165.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -110.3 | 75.1 | 169.4 | -53.6 | -179 | 0 | 0 | 0 | 108.2 | | |
| 299 | L | 36.2 | Very low | 35 | Very low | 164 Ų | 164 | 158.7 Ų | 158.7 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | | | trans | -79.7 | 127.6 | 168.9 | -176.9 | 62.1 | 0 | 0 | 0 | 109 | Q301 | L299-Q301 PolarHBondContact O-N 2.88Å; L299-Q301 VanDerWaalsContact O-N 3.13Å |
| 300 | N | 31.9 | Very low | 35.6 | Very low | 148 Ų | 148 | 157.3 Ų | 157.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -58.9 | 114.2 | -174.6 | -71.7 | -44.6 | 0 | 0 | 0 | 112.7 | | |
| 301 | Q | 36.8 | Very low | 35.8 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | | | trans | -118 | 122.1 | 149.9 | -70.5 | -168.5 | 8.6 | 0 | 0 | 108.1 | L299 Q303 | L299-Q301 PolarHBondContact O-N 2.88Å; L299-Q301 VanDerWaalsContact O-N 3.13Å; Q301-Q303 PolarHBondContact O-N 3.5Å |
| 302 | P | 37.4 | Very low | 36.2 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | trans | -66.2 | 104.8 | 175.6 | 26.9 | -32.6 | 0 | 0 | 0 | 108.7 | N304 | P302-N304 PolarHBondContact O-N 3.1Å; P302-N304 PolarHBondContact O-ND2 3.06Å |
| 303 | Q | 35.7 | Very low | 36.4 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | | | trans | -64 | 89.4 | 170 | -67.4 | -66.3 | -24.5 | 0 | 0 | 107.8 | Q301 L305 | Q301-Q303 PolarHBondContact O-N 3.5Å; Q303-L305 PolarHBondContact O-N 3.1Å |
| 304 | N | 36 | Very low | 36.6 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 70% | 0.701 | S | S | * | * | | | trans | -62.9 | 91.5 | 171.1 | -89.7 | -82.9 | 0 | 0 | 0 | 107.5 | P302 Y306 | P302-N304 PolarHBondContact O-N 3.1Å; P302-N304 PolarHBondContact O-ND2 3.06Å; N304-Y306 PolarHBondContact O-N 3.43Å |
| 305 | L | 30 | Very low | 36.6 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | | | trans | -71.9 | 81.5 | -171.3 | -168.4 | 74.1 | 0 | 0 | 0 | 108.9 | Q303 K307 | Q303-L305 PolarHBondContact O-N 3.1Å; L305-K307 PolarHBondContact O-N 3.22Å |
| 306 | Y | 35.2 | Very low | 36.8 | Very low | 155 Ų | 155 | 136.5 Ų | 136.5 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | | | trans | -55.7 | 104.7 | 174.6 | 58.9 | -84.6 | 0 | 0 | 0 | 107.8 | N304 F308 | N304-Y306 PolarHBondContact O-N 3.43Å; Y306-F308 HydrophobicContact CD2-CD2 4.44Å; Y306-F308 AromaticContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CE2 4.19Å; Y306-F308 PolarHBondContact O-N 2.99Å |
| 307 | K | 38.6 | Very low | 36.9 | Very low | 178 Ų | 178 | 133.4 Ų | 133.4 | 77% | 0.774 | 68% | 0.677 | S | S | * | * | | | trans | -56.6 | 108.2 | -166.9 | -162.9 | 168.2 | -173.7 | 173.3 | 0 | 108.1 | L305 T309 | L305-K307 PolarHBondContact O-N 3.22Å; K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 2.85Å |
| 308 | F | 34.1 | Very low | 36.7 | Very low | 135 Ų | 135 | 134 Ų | 134 | 59% | 0.592 | 68% | 0.675 | S | S | * | * | | | trans | -73.6 | 79 | -162 | -161.9 | -84.3 | 0 | 0 | 0 | 110.4 | Y306 K310 L401 | Y306-F308 HydrophobicContact CD2-CD2 4.44Å; Y306-F308 AromaticContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CD2 3.77Å; Y306-F308 HydrophobicContact CE2-CE2 4.19Å; Y306-F308 PolarHBondContact O-N 2.99Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-L401 HydrophobicContact CE2-CD2 4.17Å; F308-L401 HydrophobicContact CZ-CD2 4.05Å |
| 309 | T | 37.1 | Very low | 36.7 | Very low | 86 Ų | 86 | 135.5 Ų | 135.5 | 53% | 0.528 | 68% | 0.675 | S | S | . | * | | | trans | -72.7 | 89.2 | -175.3 | 41.3 | 0 | 0 | 0 | 0 | 109.9 | K307 S311 S312 | K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 2.85Å; T309-S311 PolarHBondContact O-N 3.31Å; T309-S312 VanDerWaalsContact O-CB 3.28Å; T309-S312 WeakPolarHBondContact O-CB 3.37Å; T309-S312 PolarHBondContact O-N 2.9Å |
| 310 | K | 44.7 | Very low | 36.7 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 67% | 0.67 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -26.5 | 172.1 | -165.1 | 173.6 | 179.6 | -178.3 | 0 | 112.3 | F308 S312 F313 | F308-K310 PolarHBondContact O-N 3.43Å; K310-S312 PolarHBondContact O-N 3.45Å; K310-F313 PolarHBondContact O-N 3.49Å |
| 311 | S | 37.1 | Very low | 37.1 | Very low | 69 Ų | 69 | 132.1 Ų | 132.1 | 48% | 0.483 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -60.7 | -14.3 | 169.5 | 53.7 | 0 | 0 | 0 | 0 | 115.5 | T309 F313 Y315 | T309-S311 PolarHBondContact O-N 3.31Å; S311-F313 PolarHBondContact O-N 2.94Å; S311-Y315 WeakPolarHBondContact O-CD2 3.47Å |
| 312 | S | 43 | Very low | 37.3 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -72.7 | -8.9 | 178.5 | -170.1 | 0 | 0 | 0 | 0 | 114 | T309 K310 | T309-S312 VanDerWaalsContact O-CB 3.28Å; T309-S312 WeakPolarHBondContact O-CB 3.37Å; T309-S312 PolarHBondContact O-N 2.9Å; K310-S312 PolarHBondContact O-N 3.45Å |
| 313 | F | 42.3 | Very low | 37.2 | Very low | 78 Ų | 78 | 138.3 Ų | 138.3 | 34% | 0.342 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -107.6 | -42.1 | -175.7 | -135.7 | -78.3 | 0 | 0 | 0 | 114.7 | K310 S311 I342 Y406 | K310-F313 PolarHBondContact O-N 3.49Å; S311-F313 PolarHBondContact O-N 2.94Å; F313-I342 HydrophobicContact CE1-CG2 4.31Å; F313-I342 HydrophobicContact CZ-CG2 4.15Å; F313-Y406 VanDerWaalsContact CD1-OH 3.32Å; F313-Y406 WeakPolarHBondContact CD1-OH 3.4Å; F313-Y406 AromaticContact CE1-CE2 3.66Å; F313-Y406 HydrophobicContact CE1-CE2 3.66Å; F313-Y406 AromaticContact CE1-CZ 3.5Å; F313-Y406 WeakPolarHBondContact CE1-OH 3.47Å; F313-Y406 HydrophobicContact CE2-CE2 4Å; F313-Y406 HydrophobicContact CZ-CD2 4.28Å; F313-Y406 AromaticContact CZ-CE2 3.32Å; F313-Y406 HydrophobicContact CZ-CE2 3.32Å; F313-Y406 AromaticContact CZ-CZ 3.71Å |
| 314 | D | 37.2 | Very low | 37.4 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 56% | 0.556 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -96.6 | -8.2 | -160.1 | -61.4 | -42 | 0 | 0 | 0 | 116.1 | | |
| 315 | Y | 33.8 | Very low | 37.3 | Very low | 178 Ų | 178 | 136.7 Ų | 136.7 | 70% | 0.698 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -80.4 | 137.3 | 175.1 | -71.3 | -92.6 | 0 | 0 | 0 | 112 | S311 | S311-Y315 WeakPolarHBondContact O-CD2 3.47Š|
| 316 | L | 39.6 | Very low | 38 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 84.7 | 44.7 | 179.1 | -49.5 | 176 | 0 | 0 | 0 | 117.9 | | |
| 317 | N | 36.2 | Very low | 38.2 | Very low | 90 Ų | 90 | 135 Ų | 135 | 48% | 0.481 | 70% | 0.7 | S | S | . | * | | | trans | -133.7 | -0.6 | 162.8 | -155.6 | 88.9 | 0 | 0 | 0 | 116 | K319 H339 G340 H341 | N317-K319 PolarHBondContact O-N 2.93Å; N317-H339 PolarHBondContact ND2-O 3.1Å; N317-G340 VanDerWaalsContact ND2-CA 3.25Å; N317-G340 WeakPolarHBondContact ND2-CA 3.49Å; N317-G340 WeakPolarHBondContact OD1-CA 3.46Å; N317-H341 PolarHBondContact OD1-N 3.05Å |
| 318 | D | 31.6 | Very low | 38.5 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | | | trans | -98.4 | 80.3 | -177.8 | -167.8 | 10.8 | 0 | 0 | 0 | 113.6 | | |
| 319 | K | 36.9 | Very low | 38.8 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -148 | 129.7 | 148.3 | -71.2 | -160 | 177.8 | -177 | 0 | 109.6 | N317 | N317-K319 PolarHBondContact O-N 2.93Š|
| 320 | S | 35.3 | Very low | 39.2 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | | | trans | 72.9 | 98 | 173 | 71.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 321 | S | 40.6 | Very low | 39.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | | | | -159.1 | 132.6 | 120.7 | -168.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 322 | K | 41 | Very low | 39.1 | Very low | 199 Ų | 199 | 135.6 Ų | 135.6 | 87% | 0.865 | 70% | 0.704 | S | S | * | * | | | trans | -87.6 | 168.7 | 166.6 | -87.2 | -173.9 | 173.2 | -177 | 0 | 110.7 | | |
| 323 | Q | 36.1 | Very low | 39.3 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | | | trans | -61.7 | 149.1 | -174 | -63.5 | 156.5 | -46 | 0 | 0 | 113.5 | | |
| 324 | N | 38.3 | Very low | 39.5 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 89% | 0.888 | 74% | 0.735 | S | S | * | * | | | | -159 | 148.9 | 120.1 | -97.7 | -10.9 | 0 | 0 | 0 | 108.7 | | |
| 325 | S | 35.5 | Very low | 39.8 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | | | trans | -105 | -172.5 | -170.5 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 326 | D | 43.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | 96.3 | 132.8 | 157.8 | -51.3 | -7.5 | 0 | 0 | 0 | 118.7 | | |
| 327 | N | 40.9 | Very low | 41 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | | | trans | 66.6 | 79.3 | 154.6 | -55.8 | -31.2 | 0 | 0 | 0 | 119.5 | | |
| 328 | K | 44.1 | Very low | 41.9 | Very low | 196 Ų | 196 | 141.9 Ų | 141.9 | 85% | 0.852 | 71% | 0.711 | S | S | * | * | | | | -168.2 | 126.8 | 128.3 | -106 | 148.1 | -170.6 | 168.9 | 0 | 115 | | |
| 329 | T | 39.6 | Very low | 43.1 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 65% | 0.65 | 71% | 0.707 | S | S | * | * | | | trans | -74.2 | 170.3 | 179.3 | -5.7 | 0 | 0 | 0 | 0 | 113.4 | S331 Y332 | T329-S331 PolarHBondContact O-N 3.04Å; T329-Y332 HydrophobicContact CG2-CE1 4.44Å |
| 330 | E | 46.1 | Very low | 44.8 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 61% | 0.612 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 52.9 | -40.2 | 177.3 | -92.2 | 37.9 | -109.3 | 0 | 0 | 119.8 | Y332 | E330-Y332 VanDerWaalsContact C-N 3.26Å; E330-Y332 VanDerWaalsContact N-CE1 3.32Å; E330-Y332 PolarHBondContact O-N 3.1Å |
| 331 | S | 42.5 | Very low | 46.9 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -69.7 | -22.9 | -172.2 | -160.9 | 0 | 0 | 0 | 0 | 113.4 | T329 K333 R334 | T329-S331 PolarHBondContact O-N 3.04Å; S331-K333 PolarHBondContact O-N 2.73Å; S331-R334 PolarHBondContact O-N 3.27Å |
| 332 | Y | 37.5 | Very low | 49.1 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 49% | 0.494 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -66.5 | -30.6 | -174 | 57.1 | -90.2 | 0 | 0 | 0 | 114.1 | T329 E330 R334 T335 | T329-Y332 HydrophobicContact CG2-CE1 4.44Å; E330-Y332 VanDerWaalsContact C-N 3.26Å; E330-Y332 VanDerWaalsContact N-CE1 3.32Å; E330-Y332 PolarHBondContact O-N 3.1Å; Y332-R334 VanDerWaalsContact C-N 3.33Å; Y332-R334 PolarHBondContact O-N 3.01Å; Y332-T335 CarbonylContact O-C 3.28Å; Y332-T335 PolarHBondContact O-N 3.35Å; Y332-T335 VanDerWaalsContact O-N 3.13Å |
| 333 | K | 47.1 | Very low | 51.5 | Low | 162 Ų | 162 | 123.5 Ų | 123.5 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -65.7 | -31.2 | 178.7 | -73.2 | -175.1 | 177.7 | 176.8 | 0 | 113.4 | S331 T335 | S331-K333 PolarHBondContact O-N 2.73Å; K333-T335 VanDerWaalsContact C-N 3.31Å |
| 334 | R | 45.7 | Very low | 54.2 | Low | 217 Ų | 217 | 119.3 Ų | 119.3 | 82% | 0.819 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -80.6 | -10.5 | 175.2 | -75.7 | -167.7 | -67.6 | 178.8 | -4.4 | 113.8 | S331 Y332 | S331-R334 PolarHBondContact O-N 3.27Å; Y332-R334 VanDerWaalsContact C-N 3.33Å; Y332-R334 PolarHBondContact O-N 3.01Å |
| 335 | T | 43.6 | Very low | 56.9 | Low | 66 Ų | 66 | 112.9 Ų | 112.9 | 41% | 0.405 | 55% | 0.551 | S | S | . | * | | | trans | -133.3 | 85.8 | 169.7 | 66.9 | 0 | 0 | 0 | 0 | 110.3 | Y332 K333 K337 | Y332-T335 CarbonylContact O-C 3.28Å; Y332-T335 PolarHBondContact O-N 3.35Å; Y332-T335 VanDerWaalsContact O-N 3.13Å; K333-T335 VanDerWaalsContact C-N 3.31Å; T335-K337 PolarHBondContact O-N 3.01Å; T335-K337 WeakPolarHBondContact OG1-CE 3.45Å |
| 336 | I | 48.8 | Very low | 59.8 | Low | 125 Ų | 125 | 110.7 Ų | 110.7 | 64% | 0.641 | 53% | 0.531 | S | S | * | . | | | trans | -58.3 | 91.1 | 140.8 | -61.3 | 178.2 | 0 | 0 | 0 | 105 | Y338 | I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 HydrophobicContact CB-CE2 4.18Å; I336-Y338 HydrophobicContact CG2-CD2 4.14Å; I336-Y338 HydrophobicContact CG2-CE1 4.35Å; I336-Y338 HydrophobicContact CG2-CE2 3.71Å; I336-Y338 VanDerWaalsContact O-CD2 3.28Å; I336-Y338 WeakPolarHBondContact O-CD2 3.32Å; I336-Y338 PolarHBondContact O-N 3.07Å |
| 337 | K | 49.7 | Very low | 62.4 | Low | 143 Ų | 143 | 108.7 Ų | 108.7 | 62% | 0.622 | 52% | 0.52 | S | S | * | . | | | trans | -71.7 | 92.7 | 174.6 | -69.5 | 179.8 | -176.1 | 167.3 | 0 | 105.6 | T335 H339 | T335-K337 PolarHBondContact O-N 3.01Å; T335-K337 WeakPolarHBondContact OG1-CE 3.45Å; K337-H339 PolarHBondContact O-CE1 3.04Å; K337-H339 PolarHBondContact O-N 3.31Å; K337-H339 PolarHBondContact O-ND1 3.23Å |
| 338 | Y | 55.4 | Low | 65.1 | Low | 114 Ų | 114 | 102 Ų | 102 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | | | trans | -55.3 | 110.9 | 155.3 | -62.7 | -86 | 0 | 0 | 0 | 105.6 | I336 G340 I342 Y406 | I336-Y338 VanDerWaalsContact C-N 3.26Å; I336-Y338 HydrophobicContact CB-CE2 4.18Å; I336-Y338 HydrophobicContact CG2-CD2 4.14Å; I336-Y338 HydrophobicContact CG2-CE1 4.35Å; I336-Y338 HydrophobicContact CG2-CE2 3.71Å; I336-Y338 VanDerWaalsContact O-CD2 3.28Å; I336-Y338 WeakPolarHBondContact O-CD2 3.32Å; I336-Y338 PolarHBondContact O-N 3.07Å; Y338-G340 PolarHBondContact O-N 3.27Å; Y338-I342 HydrophobicContact CD2-CD1 3.89Å; Y338-I342 HydrophobicContact CG-CD1 4.03Å; Y338-I342 HydrophobicContact CG-CG1 4.45Å; Y338-Y406 AromaticContact CD1-CE1 3.9Å; Y338-Y406 HydrophobicContact CD1-CE1 3.9Å; Y338-Y406 AromaticContact CD2-CD1 3.77Å; Y338-Y406 HydrophobicContact CD2-CD1 3.77Å; Y338-Y406 AromaticContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CE1-CD1 4.4Å; Y338-Y406 AromaticContact CE1-CE1 3.7Å; Y338-Y406 HydrophobicContact CE1-CE1 3.7Å; Y338-Y406 AromaticContact CE2-CD1 3.56Å; Y338-Y406 HydrophobicContact CE2-CD1 3.56Å; Y338-Y406 AromaticContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CG-CD1 4.29Å; Y338-Y406 HydrophobicContact CG-CE1 4.01Å; Y338-Y406 AromaticContact CZ-CD1 3.91Å; Y338-Y406 AromaticContact CZ-CE1 3.61Å |
| 339 | H | 57.6 | Low | 67.6 | Low | 166 Ų | 166 | 95.5 Ų | 95.5 | 77% | 0.769 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -75 | 34.6 | -173.9 | -78.2 | 68.7 | 0 | 0 | 0 | 111.6 | N317 K337 | N317-H339 PolarHBondContact ND2-O 3.1Å; K337-H339 PolarHBondContact O-CE1 3.04Å; K337-H339 PolarHBondContact O-N 3.31Å; K337-H339 PolarHBondContact O-ND1 3.23Å |
| 340 | G | 72 | Confident | 70.4 | Confident | 25 Ų | 25 | 94.3 Ų | 94.3 | 26% | 0.258 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -150.9 | 159.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N317 Y338 I342 | N317-G340 VanDerWaalsContact ND2-CA 3.25Å; N317-G340 WeakPolarHBondContact ND2-CA 3.49Å; N317-G340 WeakPolarHBondContact OD1-CA 3.46Å; Y338-G340 PolarHBondContact O-N 3.27Å; G340-I342 PolarHBondContact O-N 3Å |
| 341 | H | 79.3 | Confident | 72.8 | Confident | 75 Ų | 75 | 89.3 Ų | 89.3 | 35% | 0.347 | 42% | 0.423 | S | S | . | . | | | trans | -76.2 | 94.1 | 177.8 | 166.4 | -74.8 | 0 | 0 | 0 | 109.8 | N317 K343 N414 Y415 | N317-H341 PolarHBondContact OD1-N 3.05Å; H341-K343 PolarHBondContact O-N 2.87Å; H341-N414 PolarHBondContact CD2-OD1 3.43Å; H341-Y415 AromaticContact CE1-CZ 3.93Å; H341-Y415 PolarHBondContact CE1-OH 3.13Å; H341-Y415 AromaticContact NE2-CE1 3.49Å; H341-Y415 WeakPolarHBondContact NE2-CE1 3.16Å; H341-Y415 AromaticContact NE2-CZ 3.51Å |
| 342 | I | 87.8 | Confident | 75.4 | Confident | 23 Ų | 23 | 86 Ų | 86 | 12% | 0.118 | 40% | 0.399 | C | S | . | . | | | trans | -62.6 | 113.7 | 168.8 | -58 | 156.8 | 0 | 0 | 0 | 108.6 | F313 Y338 G340 H402 Y406 W409 N414 | F313-I342 HydrophobicContact CE1-CG2 4.31Å; F313-I342 HydrophobicContact CZ-CG2 4.15Å; Y338-I342 HydrophobicContact CD2-CD1 3.89Å; Y338-I342 HydrophobicContact CG-CD1 4.03Å; Y338-I342 HydrophobicContact CG-CG1 4.45Å; G340-I342 PolarHBondContact O-N 3Å; I342-H402 WeakPolarHBondContact CG2-NE2 3.36Å; I342-Y406 HydrophobicContact CD1-CD1 3.45Å; I342-Y406 VanDerWaalsContact CD1-CD1 3.45Å; I342-Y406 HydrophobicContact CD1-CE1 3.96Å; I342-Y406 HydrophobicContact CD1-CG 4.02Å; I342-Y406 HydrophobicContact CG1-CD1 4.02Å; I342-Y406 HydrophobicContact CG1-CE1 4.07Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CD2 3.86Å; I342-Y406 HydrophobicContact CG2-CE1 4.4Å; I342-Y406 HydrophobicContact CG2-CE2 4.1Å; I342-Y406 HydrophobicContact CG2-CG 3.94Å; I342-W409 PolarHBondContact O-NE1 3.13Å; I342-W409 VanDerWaalsContact O-NE1 3.08Å; I342-N414 PolarHBondContact N-ND2 3.42Å; I342-N414 VanDerWaalsContact O-CG 3.29Å; I342-N414 PolarHBondContact O-ND2 3.5Å; I342-N414 PolarHBondContact O-OD1 3.31Å |
| 343 | K | 91.1 | Very high | 78.2 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 152.1 | 179.4 | -60.9 | 165.7 | -172.4 | 158.8 | 0 | 110.7 | H341 H402 | H341-K343 PolarHBondContact O-N 2.87Å; K343-H402 PolarHBondContact O-NE2 3.06Å |
| 344 | K | 93 | Very high | 80.5 | Confident | 95 Ų | 95 | 80.1 Ų | 80.1 | 41% | 0.413 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 145.5 | 168.1 | -69.2 | 168.9 | -166.8 | -56.1 | 0 | 110.7 | W409 Y415 | K344-W409 HydrophobicContact CB-CH2 4.28Å; K344-W409 HydrophobicContact CB-CZ2 4.2Å; K344-W409 HydrophobicContact CG-CH2 3.81Å; K344-W409 HydrophobicContact CG-CZ2 3.71Å; K344-Y415 HydrophobicContact CD-CE2 4.07Å; K344-Y415 VanDerWaalsContact CE-CE2 3.46Å; K344-Y415 HydrophobicContact CG-CE2 3.58Å; K344-Y415 WeakPolarHBondContact CG-OH 3.49Å; K344-Y415 PolarHBondContact N-OH 3.26Å; K344-Y415 VanDerWaalsContact NZ-CD2 3.35Å |
| 345 | P | 95.6 | Very high | 82.9 | Confident | 32 Ų | 32 | 73.7 Ų | 73.7 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 147.8 | 164.3 | 25.5 | -31.8 | 0 | 0 | 0 | 110.4 | E398 H402 | P345-E398 HydrophobicContact CB-CG 3.91Å; P345-H402 HydrophobicContact CB-CB 3.82Å; P345-H402 HydrophobicContact CG-CB 4.17Å |
| 346 | L | 95.6 | Very high | 85.3 | Confident | 51 Ų | 51 | 71.8 Ų | 71.8 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -74 | 132.8 | -178.3 | -59.9 | 171.3 | 0 | 0 | 0 | 110.7 | M350 L351 K354 E398 | L346-M350 HydrophobicContact CB-CB 4.2Å; L346-M350 HydrophobicContact CD2-CB 4.02Å; L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 3.84Å; L346-L351 HydrophobicContact CD1-CD2 3.74Å; L346-L351 HydrophobicContact CG-CD2 4.43Å; L346-K354 HydrophobicContact CD1-CD 4.21Å; L346-E398 HydrophobicContact CB-CG 4.26Å |
| 347 | N | 97.3 | Very high | 87.4 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -82.8 | 173.2 | 170.1 | 78.8 | 18.7 | 0 | 0 | 0 | 111.3 | F349 M350 L351 | N347-F349 PolarHBondContact O-N 2.88Å; N347-F349 PolarHBondContact OD1-N 3.4Å; N347-M350 PolarHBondContact O-N 3.48Å; N347-M350 VanDerWaalsContact O-N 3.1Å; N347-M350 VanDerWaalsContact OD1-CG 3.32Å; N347-M350 WeakPolarHBondContact OD1-CG 3.47Å; N347-M350 PolarHBondContact OD1-N 3.22Å; N347-L351 WeakPolarHBondContact O-CG 3.03Å; N347-L351 PolarHBondContact O-N 3.17Å |
| 348 | A | 97.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 66 Ų | 66 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -55.9 | -46.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L351 F352 W380 Y392 A395 | A348-L351 PolarHBondContact O-N 2.75Å; A348-F352 PolarHBondContact O-N 2.9Å; A348-W380 HydrophobicContact CB-CH2 3.73Å; A348-W380 HydrophobicContact CB-CZ2 4.28Å; A348-Y392 HydrophobicContact CB-CD1 3.87Å; A348-Y392 HydrophobicContact CB-CD2 4.4Å; A348-Y392 HydrophobicContact CB-CE1 4.06Å; A348-Y392 HydrophobicContact CB-CG 4.05Å; A348-A395 HydrophobicContact CB-CB 4.19Å |
| 349 | F | 97.3 | Very high | 91.2 | Very high | 59 Ų | 59 | 64.9 Ų | 64.9 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.1 | -35.9 | 177.2 | 178.9 | -121.7 | 0 | 0 | 0 | 112.8 | N347 L351 F352 M353 W380 | N347-F349 PolarHBondContact O-N 2.88Å; N347-F349 PolarHBondContact OD1-N 3.4Å; F349-L351 VanDerWaalsContact C-N 3.34Å; F349-F352 HydrophobicContact CD2-CD1 4.07Å; F349-F352 HydrophobicContact CE2-CD1 4.18Å; F349-F352 PolarHBondContact O-N 2.88Å; F349-M353 HydrophobicContact CD1-CE 3.69Å; F349-M353 HydrophobicContact CD1-SD 4.3Å; F349-M353 HydrophobicContact CD2-CG 4.21Å; F349-M353 HydrophobicContact CE1-CE 3.42Å; F349-M353 VanDerWaalsContact CE1-CE 3.42Å; F349-M353 HydrophobicContact CE1-CG 4.13Å; F349-M353 HydrophobicContact CE1-SD 3.55Å; F349-M353 VanDerWaalsContact CE1-SD 3.55Å; F349-M353 HydrophobicContact CE2-CG 3.77Å; F349-M353 HydrophobicContact CE2-SD 4.16Å; F349-M353 HydrophobicContact CG-CE 4.44Å; F349-M353 HydrophobicContact CZ-CE 3.98Å; F349-M353 HydrophobicContact CZ-CG 3.73Å; F349-M353 HydrophobicContact CZ-SD 3.47Å; F349-M353 WeakPolarHBondContact CZ-SD 3.36Å; F349-M353 WeakPolarHBondContact O-CB 3.36Å; F349-M353 WeakPolarHBondContact O-CG 3.21Å; F349-M353 PolarHBondContact O-N 3.44Å; F349-W380 HydrophobicContact CB-CD2 4.37Å; F349-W380 HydrophobicContact CD2-CB 3.69Å; F349-W380 AromaticContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CE3 4.26Å; F349-W380 AromaticContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CE2-CB 3.69Å; F349-W380 HydrophobicContact CE2-CG 4.02Å; F349-W380 HydrophobicContact CG-CG 4.47Å |
| 350 | M | 97 | Very high | 92.9 | Very high | 82 Ų | 82 | 57 Ų | 57 | 40% | 0.404 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.5 | -34.4 | 174.4 | -68.3 | -60.8 | -51.4 | 0 | 0 | 112.3 | L346 N347 M353 K354 | L346-M350 HydrophobicContact CB-CB 4.2Å; L346-M350 HydrophobicContact CD2-CB 4.02Å; N347-M350 PolarHBondContact O-N 3.48Å; N347-M350 VanDerWaalsContact O-N 3.1Å; N347-M350 VanDerWaalsContact OD1-CG 3.32Å; N347-M350 WeakPolarHBondContact OD1-CG 3.47Å; N347-M350 PolarHBondContact OD1-N 3.22Å; M350-M353 HydrophobicContact CE-CE 4.1Å; M350-M353 HydrophobicContact SD-CE 3.36Å; M350-M353 WeakPolarHBondContact SD-CE 3.46Å; M350-K354 WeakPolarHBondContact O-CB 3.46Å; M350-K354 PolarHBondContact O-N 3.18Å |
| 351 | L | 97 | Very high | 93.8 | Very high | 26 Ų | 26 | 60 Ų | 60 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.5 | -47.3 | 172.7 | -70 | 167.7 | 0 | 0 | 0 | 111.2 | L346 N347 A348 F349 M353 K354 E355 Y391 L394 A395 | L346-L351 HydrophobicContact CB-CD2 3.8Å; L346-L351 HydrophobicContact CB-CG 3.84Å; L346-L351 HydrophobicContact CD1-CD2 3.74Å; L346-L351 HydrophobicContact CG-CD2 4.43Å; N347-L351 WeakPolarHBondContact O-CG 3.03Å; N347-L351 PolarHBondContact O-N 3.17Å; A348-L351 PolarHBondContact O-N 2.75Å; F349-L351 VanDerWaalsContact C-N 3.34Å; L351-M353 PolarHBondContact O-N 2.85Å; L351-K354 WeakPolarHBondContact O-CB 3.28Å; L351-K354 PolarHBondContact O-N 2.96Å; L351-K354 VanDerWaalsContact O-N 3.09Å; L351-E355 PolarHBondContact O-N 3.33Å; L351-E355 VanDerWaalsContact O-N 3.11Å; L351-Y391 HydrophobicContact CB-CD1 4.17Å; L351-L394 HydrophobicContact CD1-CB 3.71Å; L351-A395 HydrophobicContact CD1-CB 3.98Å |
| 352 | F | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -45.6 | 173.6 | 171.6 | -98.7 | 0 | 0 | 0 | 112.2 | A348 F349 K354 E355 M356 L376 K379 W380 L383 Y391 | A348-F352 PolarHBondContact O-N 2.9Å; F349-F352 HydrophobicContact CD2-CD1 4.07Å; F349-F352 HydrophobicContact CE2-CD1 4.18Å; F349-F352 PolarHBondContact O-N 2.88Å; F352-K354 VanDerWaalsContact C-N 3.31Å; F352-K354 PolarHBondContact O-N 3.31Å; F352-E355 PolarHBondContact O-N 3.2Å; F352-E355 VanDerWaalsContact O-N 3.17Å; F352-M356 HydrophobicContact CD1-CG 4.38Å; F352-M356 HydrophobicContact CD2-CG 3.69Å; F352-M356 HydrophobicContact CE1-CB 4.44Å; F352-M356 HydrophobicContact CE1-CG 4.12Å; F352-M356 HydrophobicContact CE2-CG 3.41Å; F352-M356 VanDerWaalsContact CE2-CG 3.41Å; F352-M356 HydrophobicContact CE2-SD 4.12Å; F352-M356 HydrophobicContact CG-CG 4.19Å; F352-M356 HydrophobicContact CZ-CB 4.35Å; F352-M356 HydrophobicContact CZ-CG 3.66Å; F352-M356 WeakPolarHBondContact O-CB 3.45Å; F352-M356 WeakPolarHBondContact O-CG 3.43Å; F352-M356 PolarHBondContact O-N 3.03Å; F352-L376 HydrophobicContact CE1-CD2 4.39Å; F352-L376 WeakPolarHBondContact CE1-O 3.33Å; F352-K379 HydrophobicContact CE1-CB 4.37Å; F352-K379 HydrophobicContact CZ-CB 3.88Å; F352-W380 HydrophobicContact CB-CE3 3.63Å; F352-W380 HydrophobicContact CB-CZ3 3.79Å; F352-W380 HydrophobicContact CD1-CB 3.96Å; F352-W380 HydrophobicContact CD1-CD2 4.48Å; F352-W380 AromaticContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD2-CE3 4.01Å; F352-W380 HydrophobicContact CD2-CZ3 4.48Å; F352-W380 HydrophobicContact CE1-CB 3.69Å; F352-W380 HydrophobicContact CE1-CE3 4.46Å; F352-W380 AromaticContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CZ3 4.14Å; F352-W380 HydrophobicContact CZ-CB 4.3Å; F352-L383 HydrophobicContact CD2-CD1 3.75Å; F352-L383 HydrophobicContact CE2-CD1 3.59Å; F352-L383 HydrophobicContact CE2-CD2 4.19Å; F352-L383 HydrophobicContact CE2-CG 4.04Å; F352-L383 HydrophobicContact CZ-CD1 4.4Å; F352-Y391 HydrophobicContact CB-CD1 4.13Å; F352-Y391 HydrophobicContact CB-CD2 4.37Å; F352-Y391 HydrophobicContact CB-CE1 4.17Å; F352-Y391 HydrophobicContact CB-CE2 4.41Å; F352-Y391 HydrophobicContact CB-CG 4.24Å; F352-Y391 HydrophobicContact CD2-CD2 4.39Å; F352-Y391 HydrophobicContact CD2-CE1 4.49Å; F352-Y391 AromaticContact CD2-CE2 3.78Å; F352-Y391 HydrophobicContact CD2-CE2 3.78Å; F352-Y391 AromaticContact CD2-CZ 3.83Å |
| 353 | M | 96 | Very high | 94.4 | Very high | 27 Ų | 27 | 65.1 Ų | 65.1 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | 174.7 | -75.5 | -162.3 | -66.3 | 0 | 0 | 112.8 | F349 M350 L351 E355 R357 L376 | F349-M353 HydrophobicContact CD1-CE 3.69Å; F349-M353 HydrophobicContact CD1-SD 4.3Å; F349-M353 HydrophobicContact CD2-CG 4.21Å; F349-M353 HydrophobicContact CE1-CE 3.42Å; F349-M353 VanDerWaalsContact CE1-CE 3.42Å; F349-M353 HydrophobicContact CE1-CG 4.13Å; F349-M353 HydrophobicContact CE1-SD 3.55Å; F349-M353 VanDerWaalsContact CE1-SD 3.55Å; F349-M353 HydrophobicContact CE2-CG 3.77Å; F349-M353 HydrophobicContact CE2-SD 4.16Å; F349-M353 HydrophobicContact CG-CE 4.44Å; F349-M353 HydrophobicContact CZ-CE 3.98Å; F349-M353 HydrophobicContact CZ-CG 3.73Å; F349-M353 HydrophobicContact CZ-SD 3.47Å; F349-M353 WeakPolarHBondContact CZ-SD 3.36Å; F349-M353 WeakPolarHBondContact O-CB 3.36Å; F349-M353 WeakPolarHBondContact O-CG 3.21Å; F349-M353 PolarHBondContact O-N 3.44Å; M350-M353 HydrophobicContact CE-CE 4.1Å; M350-M353 HydrophobicContact SD-CE 3.36Å; M350-M353 WeakPolarHBondContact SD-CE 3.46Å; L351-M353 PolarHBondContact O-N 2.85Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 2.89Å; M353-R357 WeakPolarHBondContact O-CB 3.47Å; M353-R357 PolarHBondContact O-N 2.8Å; M353-L376 HydrophobicContact CG-CB 4.22Å; M353-L376 HydrophobicContact CG-CD1 4.06Å; M353-L376 HydrophobicContact SD-CD1 4.22Å |
| 354 | K | 95.2 | Very high | 93.8 | Very high | 138 Ų | 138 | 61 Ų | 61 | 60% | 0.6 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.9 | -34.7 | 174.5 | -176.7 | -177.1 | 174.9 | -175.7 | 0 | 111.8 | L346 M350 L351 F352 | L346-K354 HydrophobicContact CD1-CD 4.21Å; M350-K354 WeakPolarHBondContact O-CB 3.46Å; M350-K354 PolarHBondContact O-N 3.18Å; L351-K354 WeakPolarHBondContact O-CB 3.28Å; L351-K354 PolarHBondContact O-N 2.96Å; L351-K354 VanDerWaalsContact O-N 3.09Å; F352-K354 VanDerWaalsContact C-N 3.31Å; F352-K354 PolarHBondContact O-N 3.31Å |
| 355 | E | 95.4 | Very high | 93.2 | Very high | 83 Ų | 83 | 63 Ų | 63 | 39% | 0.388 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -80.2 | -44.5 | 178.5 | -158.4 | 175.6 | 129 | 0 | 0 | 112.1 | L351 F352 M353 K390 Y391 | L351-E355 PolarHBondContact O-N 3.33Å; L351-E355 VanDerWaalsContact O-N 3.11Å; F352-E355 PolarHBondContact O-N 3.2Å; F352-E355 VanDerWaalsContact O-N 3.17Å; M353-E355 VanDerWaalsContact C-N 3.28Å; M353-E355 PolarHBondContact O-N 2.89Å; E355-K390 IonicContact OE1-NZ 3.98Å; E355-K390 PolarHBondContact OE1-NZ 3.18Å; E355-K390 IonicContact OE2-NZ 2.83Å; E355-K390 PolarHBondContact OE2-NZ 3.43Å; E355-Y391 PolarHBondContact OE1-OH 3.1Å; E355-Y391 WeakPolarHBondContact OE2-CE1 3.4Å; E355-Y391 PolarHBondContact OE2-OH 2.92Å |
| 356 | M | 94.9 | Very high | 92.2 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 13% | 0.128 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -94.1 | -18.2 | -168.9 | -61.9 | -71.5 | 100.5 | 0 | 0 | 115.5 | F352 S358 Q359 V360 L376 | F352-M356 HydrophobicContact CD1-CG 4.38Å; F352-M356 HydrophobicContact CD2-CG 3.69Å; F352-M356 HydrophobicContact CE1-CB 4.44Å; F352-M356 HydrophobicContact CE1-CG 4.12Å; F352-M356 HydrophobicContact CE2-CG 3.41Å; F352-M356 VanDerWaalsContact CE2-CG 3.41Å; F352-M356 HydrophobicContact CE2-SD 4.12Å; F352-M356 HydrophobicContact CG-CG 4.19Å; F352-M356 HydrophobicContact CZ-CB 4.35Å; F352-M356 HydrophobicContact CZ-CG 3.66Å; F352-M356 WeakPolarHBondContact O-CB 3.45Å; F352-M356 WeakPolarHBondContact O-CG 3.43Å; F352-M356 PolarHBondContact O-N 3.03Å; M356-S358 VanDerWaalsContact C-N 3.34Å; M356-S358 PolarHBondContact O-N 3.08Å; M356-Q359 VanDerWaalsContact CE-OE1 3.23Å; M356-Q359 WeakPolarHBondContact O-CB 3.22Å; M356-Q359 PolarHBondContact O-N 2.97Å; M356-Q359 VanDerWaalsContact O-N 3.16Å; M356-Q359 PolarHBondContact SD-OE1 3.23Å; M356-V360 PolarHBondContact O-N 3.15Å; M356-L376 HydrophobicContact CB-CD2 3.59Å |
| 357 | R | 93.9 | Very high | 91.5 | Very high | 71 Ų | 71 | 72.8 Ų | 72.8 | 27% | 0.268 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | -172.9 | -179 | 179.1 | -165.2 | 85.5 | 3.6 | 112.8 | M353 I361 S369 I372 N373 L376 | M353-R357 WeakPolarHBondContact O-CB 3.47Å; M353-R357 PolarHBondContact O-N 2.8Å; R357-I361 HydrophobicContact CG-CD1 3.81Å; R357-I361 WeakPolarHBondContact O-CB 3.42Å; R357-I361 WeakPolarHBondContact O-CD1 3.42Å; R357-I361 VanDerWaalsContact O-CG1 3.22Å; R357-I361 WeakPolarHBondContact O-CG1 3.42Å; R357-I361 PolarHBondContact O-N 2.77Å; R357-S369 PolarHBondContact NH2-OG 3.17Å; R357-I372 HydrophobicContact CG-CG2 4.21Å; R357-N373 PolarHBondContact NH1-OD1 3.41Å; R357-L376 HydrophobicContact CB-CD1 4.01Å; R357-L376 HydrophobicContact CG-CD1 4.17Å |
| 358 | S | 91.9 | Very high | 91.1 | Very high | 76 Ų | 76 | 74.8 Ų | 74.8 | 53% | 0.531 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.4 | 44.5 | 0 | 0 | 0 | 0 | 111.6 | M356 I361 A362 | M356-S358 VanDerWaalsContact C-N 3.34Å; M356-S358 PolarHBondContact O-N 3.08Å; S358-I361 PolarHBondContact O-N 2.91Å; S358-A362 PolarHBondContact O-N 3.34Å |
| 359 | Q | 93 | Very high | 90.7 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -48.5 | 178.1 | -56.7 | -179 | 3 | 0 | 0 | 111 | M356 I361 A362 E363 | M356-Q359 VanDerWaalsContact CE-OE1 3.23Å; M356-Q359 WeakPolarHBondContact O-CB 3.22Å; M356-Q359 PolarHBondContact O-N 2.97Å; M356-Q359 VanDerWaalsContact O-N 3.16Å; M356-Q359 PolarHBondContact SD-OE1 3.23Å; Q359-I361 VanDerWaalsContact C-N 3.28Å; Q359-I361 PolarHBondContact O-N 3.21Å; Q359-A362 PolarHBondContact O-N 3.08Å; Q359-E363 WeakPolarHBondContact O-CG 3.33Å; Q359-E363 PolarHBondContact O-N 2.95Å |
| 360 | V | 91.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -30.7 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 112.6 | M356 C364 I372 I375 L376 K379 | M356-V360 PolarHBondContact O-N 3.15Å; V360-C364 WeakPolarHBondContact O-CB 3.5Å; V360-C364 PolarHBondContact O-N 2.96Å; V360-C364 VanDerWaalsContact O-N 3.1Å; V360-I372 HydrophobicContact CG1-CG2 4.05Å; V360-I375 HydrophobicContact CG1-CB 3.97Å; V360-I375 HydrophobicContact CG1-CD1 4.29Å; V360-I375 HydrophobicContact CG1-CG2 3.67Å; V360-I375 HydrophobicContact CG2-CG2 4.14Å; V360-L376 HydrophobicContact CB-CD2 4.37Å; V360-L376 HydrophobicContact CG2-CD2 3.79Å; V360-L376 HydrophobicContact CG2-CG 4.27Å; V360-K379 HydrophobicContact CG2-CD 4.03Å |
| 361 | I | 90.9 | Very high | 90.4 | Very high | 88 Ų | 88 | 74.4 Ų | 74.4 | 45% | 0.451 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -73 | -30.1 | 173.5 | -73.1 | 168.3 | 0 | 0 | 0 | 112.1 | R357 S358 Q359 I372 | R357-I361 HydrophobicContact CG-CD1 3.81Å; R357-I361 WeakPolarHBondContact O-CB 3.42Å; R357-I361 WeakPolarHBondContact O-CD1 3.42Å; R357-I361 VanDerWaalsContact O-CG1 3.22Å; R357-I361 WeakPolarHBondContact O-CG1 3.42Å; R357-I361 PolarHBondContact O-N 2.77Å; S358-I361 PolarHBondContact O-N 2.91Å; Q359-I361 VanDerWaalsContact C-N 3.28Å; Q359-I361 PolarHBondContact O-N 3.21Å; I361-I372 HydrophobicContact CD1-CD1 4.18Å; I361-I372 HydrophobicContact CG1-CD1 3.64Å; I361-I372 HydrophobicContact CG1-CG1 4.24Å; I361-I372 HydrophobicContact CG1-CG2 4.3Å |
| 362 | A | 90.9 | Very high | 90.2 | Very high | 89 Ų | 89 | 73.5 Ų | 73.5 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78.6 | -37.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S358 Q359 | S358-A362 PolarHBondContact O-N 3.34Å; Q359-A362 PolarHBondContact O-N 3.08Å |
| 363 | E | 89.2 | Confident | 90 | Very high | 116 Ų | 116 | 76.7 Ų | 76.7 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.2 | -29.3 | 176.1 | -70.1 | 167.9 | -149.8 | 0 | 0 | 113.4 | Q359 K379 | Q359-E363 WeakPolarHBondContact O-CG 3.33Å; Q359-E363 PolarHBondContact O-N 2.95Å; E363-K379 IonicContact OE1-NZ 2.8Å; E363-K379 PolarHBondContact OE1-NZ 2.89Å; E363-K379 IonicContact OE2-NZ 2.81Å; E363-K379 PolarHBondContact OE2-NZ 3.44Å |
| 364 | C | 78.4 | Confident | 90 | Very high | 31 Ų | 31 | 81.3 Ų | 81.3 | 21% | 0.209 | 44% | 0.435 | C | S | . | . | | | trans | -120.1 | 124.4 | -166.7 | -162.6 | 0 | 0 | 0 | 0 | 112.5 | V360 L366 I375 | V360-C364 WeakPolarHBondContact O-CB 3.5Å; V360-C364 PolarHBondContact O-N 2.96Å; V360-C364 VanDerWaalsContact O-N 3.1Å; C364-L366 PolarHBondContact O-N 3.06Å; C364-L366 VanDerWaalsContact O-N 3.1Å; C364-I375 HydrophobicContact CB-CD1 4.38Å |
| 365 | T | 79.7 | Confident | 90 | Very high | 138 Ų | 138 | 76.5 Ų | 76.5 | 85% | 0.847 | 42% | 0.415 | S | S | * | . | | | trans | -66.3 | -9.3 | 176.9 | 54.2 | 0 | 0 | 0 | 0 | 114.2 | K367 | T365-K367 PolarHBondContact O-N 2.93Š|
| 366 | L | 75.8 | Confident | 90 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | | | trans | -75.8 | 105.9 | -178.7 | -61.3 | 178.8 | 0 | 0 | 0 | 111.4 | C364 E368 A371 I372 | C364-L366 PolarHBondContact O-N 3.06Å; C364-L366 VanDerWaalsContact O-N 3.1Å; L366-E368 PolarHBondContact O-N 2.67Å; L366-E368 VanDerWaalsContact O-N 3.12Å; L366-A371 HydrophobicContact CB-CB 4.33Å; L366-A371 HydrophobicContact CD1-CB 3.74Å; L366-I372 WeakPolarHBondContact O-CD1 3.29Å |
| 367 | K | 80.2 | Confident | 90.1 | Very high | 204 Ų | 204 | 72.1 Ų | 72.1 | 89% | 0.887 | 40% | 0.399 | S | S | * | . | | | trans | -66.2 | -8.8 | 173.8 | -60.6 | 178.2 | -177.9 | 176.7 | 0 | 113.4 | T365 S369 | T365-K367 PolarHBondContact O-N 2.93Å; K367-S369 PolarHBondContact O-N 3.16Å |
| 368 | E | 88.3 | Confident | 90.2 | Very high | 134 Ų | 134 | 76.6 Ų | 76.6 | 63% | 0.626 | 42% | 0.416 | S | S | * | . | | | trans | -81.3 | 114.2 | -174.3 | -69.4 | -172.6 | -162.1 | 0 | 0 | 113.4 | L366 A370 A371 I372 | L366-E368 PolarHBondContact O-N 2.67Å; L366-E368 VanDerWaalsContact O-N 3.12Å; E368-A370 PolarHBondContact O-N 2.94Å; E368-A370 VanDerWaalsContact O-N 3.07Å; E368-A371 HydrophobicContact CB-CB 4.27Å; E368-A371 PolarHBondContact O-N 3.29Å; E368-A371 VanDerWaalsContact O-N 3.1Å; E368-I372 WeakPolarHBondContact O-CG1 3.47Å; E368-I372 PolarHBondContact O-N 3.4Å; E368-I372 VanDerWaalsContact O-N 3.07Å |
| 369 | S | 90.7 | Very high | 90.4 | Very high | 64 Ų | 64 | 76.1 Ų | 76.1 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -51.7 | -32.7 | 175.4 | -173.6 | 0 | 0 | 0 | 0 | 113.7 | R357 K367 N373 | R357-S369 PolarHBondContact NH2-OG 3.17Å; K367-S369 PolarHBondContact O-N 3.16Å; S369-N373 WeakPolarHBondContact O-CB 3.48Å; S369-N373 PolarHBondContact O-N 2.68Å; S369-N373 PolarHBondContact O-ND2 3.04Å; S369-N373 PolarHBondContact O-OD1 3.46Å |
| 370 | A | 94.1 | Very high | 90.6 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 49% | 0.488 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.3 | -49 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E368 N373 Q374 | E368-A370 PolarHBondContact O-N 2.94Å; E368-A370 VanDerWaalsContact O-N 3.07Å; A370-N373 WeakPolarHBondContact O-CB 3.37Å; A370-N373 PolarHBondContact O-N 3Å; A370-Q374 WeakPolarHBondContact O-CG 3.35Å; A370-Q374 PolarHBondContact O-N 3.08Å |
| 371 | A | 93.3 | Very high | 90.9 | Very high | 16 Ų | 16 | 79.6 Ų | 79.6 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L366 E368 N373 Q374 I375 | L366-A371 HydrophobicContact CB-CB 4.33Å; L366-A371 HydrophobicContact CD1-CB 3.74Å; E368-A371 HydrophobicContact CB-CB 4.27Å; E368-A371 PolarHBondContact O-N 3.29Å; E368-A371 VanDerWaalsContact O-N 3.1Å; A371-N373 VanDerWaalsContact C-N 3.29Å; A371-N373 PolarHBondContact O-N 3.07Å; A371-Q374 WeakPolarHBondContact O-CB 3.18Å; A371-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 VanDerWaalsContact O-N 3.1Å; A371-I375 WeakPolarHBondContact O-CG1 3.44Å; A371-I375 PolarHBondContact O-N 3.38Å |
| 372 | I | 92.2 | Very high | 91.2 | Very high | 6 Ų | 6 | 79.5 Ų | 79.5 | 3% | 0.031 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -56.7 | -43.2 | 174.1 | -66.4 | 157.4 | 0 | 0 | 0 | 110.9 | R357 V360 I361 L366 E368 Q374 I375 L376 | R357-I372 HydrophobicContact CG-CG2 4.21Å; V360-I372 HydrophobicContact CG1-CG2 4.05Å; I361-I372 HydrophobicContact CD1-CD1 4.18Å; I361-I372 HydrophobicContact CG1-CD1 3.64Å; I361-I372 HydrophobicContact CG1-CG1 4.24Å; I361-I372 HydrophobicContact CG1-CG2 4.3Å; L366-I372 WeakPolarHBondContact O-CD1 3.29Å; E368-I372 WeakPolarHBondContact O-CG1 3.47Å; E368-I372 PolarHBondContact O-N 3.4Å; E368-I372 VanDerWaalsContact O-N 3.07Å; I372-Q374 PolarHBondContact O-N 3Å; I372-I375 PolarHBondContact O-N 3.21Å; I372-L376 HydrophobicContact CG2-CD1 3.82Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 3.35Å |
| 373 | N | 95.1 | Very high | 91.4 | Very high | 70 Ų | 70 | 77.4 Ų | 77.4 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 176.6 | -69.4 | -10.8 | 0 | 0 | 0 | 112.7 | R357 S369 A370 A371 L376 G377 | R357-N373 PolarHBondContact NH1-OD1 3.41Å; S369-N373 WeakPolarHBondContact O-CB 3.48Å; S369-N373 PolarHBondContact O-N 2.68Å; S369-N373 PolarHBondContact O-ND2 3.04Å; S369-N373 PolarHBondContact O-OD1 3.46Å; A370-N373 WeakPolarHBondContact O-CB 3.37Å; A370-N373 PolarHBondContact O-N 3Å; A371-N373 VanDerWaalsContact C-N 3.29Å; A371-N373 PolarHBondContact O-N 3.07Å; N373-L376 PolarHBondContact O-N 3.11Å; N373-G377 PolarHBondContact O-N 3.07Å |
| 374 | Q | 95 | Very high | 91.8 | Very high | 125 Ų | 125 | 75.1 Ų | 75.1 | 58% | 0.584 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68.6 | -33.4 | 175.4 | -67.7 | 174.1 | 6.4 | 0 | 0 | 112.6 | A370 A371 I372 R378 | A370-Q374 WeakPolarHBondContact O-CG 3.35Å; A370-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 WeakPolarHBondContact O-CB 3.18Å; A371-Q374 PolarHBondContact O-N 3.08Å; A371-Q374 VanDerWaalsContact O-N 3.1Å; I372-Q374 PolarHBondContact O-N 3Å; Q374-R378 WeakPolarHBondContact O-CG 3.35Å; Q374-R378 PolarHBondContact O-N 3.4Å; Q374-R378 PolarHBondContact O-NE 3.43Å; Q374-R378 VanDerWaalsContact O-NE 3.13Å |
| 375 | I | 94.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 19% | 0.185 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -69.7 | -46 | 172.6 | -64.4 | 164.6 | 0 | 0 | 0 | 109.8 | V360 C364 A371 I372 G377 R378 K379 | V360-I375 HydrophobicContact CG1-CB 3.97Å; V360-I375 HydrophobicContact CG1-CD1 4.29Å; V360-I375 HydrophobicContact CG1-CG2 3.67Å; V360-I375 HydrophobicContact CG2-CG2 4.14Å; C364-I375 HydrophobicContact CB-CD1 4.38Å; A371-I375 WeakPolarHBondContact O-CG1 3.44Å; A371-I375 PolarHBondContact O-N 3.38Å; I372-I375 PolarHBondContact O-N 3.21Å; I375-G377 PolarHBondContact O-N 3.2Å; I375-R378 PolarHBondContact O-N 3.48Å; I375-K379 HydrophobicContact CG2-CG 4.41Å; I375-K379 PolarHBondContact O-N 2.81Å |
| 376 | L | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 177.2 | -73.1 | 165.5 | 0 | 0 | 0 | 112.6 | F352 M353 M356 R357 V360 I372 N373 K379 W380 | F352-L376 HydrophobicContact CE1-CD2 4.39Å; F352-L376 WeakPolarHBondContact CE1-O 3.33Å; M353-L376 HydrophobicContact CG-CB 4.22Å; M353-L376 HydrophobicContact CG-CD1 4.06Å; M353-L376 HydrophobicContact SD-CD1 4.22Å; M356-L376 HydrophobicContact CB-CD2 3.59Å; R357-L376 HydrophobicContact CB-CD1 4.01Å; R357-L376 HydrophobicContact CG-CD1 4.17Å; V360-L376 HydrophobicContact CB-CD2 4.37Å; V360-L376 HydrophobicContact CG2-CD2 3.79Å; V360-L376 HydrophobicContact CG2-CG 4.27Å; I372-L376 HydrophobicContact CG2-CD1 3.82Å; I372-L376 HydrophobicContact CG2-CG 4.46Å; I372-L376 WeakPolarHBondContact O-CB 3.44Å; I372-L376 VanDerWaalsContact O-CG 3.31Å; I372-L376 WeakPolarHBondContact O-CG 3.13Å; I372-L376 PolarHBondContact O-N 3.35Å; N373-L376 PolarHBondContact O-N 3.11Å; L376-K379 PolarHBondContact O-N 3.31Å; L376-W380 WeakPolarHBondContact O-CB 3.41Å; L376-W380 PolarHBondContact O-N 3.12Å |
| 377 | G | 96.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 77.5 Ų | 77.5 | 19% | 0.186 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N373 I375 W380 H381 | N373-G377 PolarHBondContact O-N 3.07Å; I375-G377 PolarHBondContact O-N 3.2Å; G377-W380 PolarHBondContact O-N 3.31Å; G377-H381 PolarHBondContact O-CD2 3.04Å; G377-H381 PolarHBondContact O-N 3.17Å; G377-H381 VanDerWaalsContact O-N 3.12Å |
| 378 | R | 96.7 | Very high | 95.3 | Very high | 165 Ų | 165 | 69.6 Ų | 69.6 | 62% | 0.623 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.2 | -45.6 | 175.4 | -74.7 | -179.2 | -73.8 | 179.8 | -1.5 | 112.4 | Q374 I375 W380 H381 A382 | Q374-R378 WeakPolarHBondContact O-CG 3.35Å; Q374-R378 PolarHBondContact O-N 3.4Å; Q374-R378 PolarHBondContact O-NE 3.43Å; Q374-R378 VanDerWaalsContact O-NE 3.13Å; I375-R378 PolarHBondContact O-N 3.48Å; R378-W380 VanDerWaalsContact C-N 3.3Å; R378-W380 PolarHBondContact O-N 2.93Å; R378-H381 PolarHBondContact O-N 2.82Å; R378-A382 WeakPolarHBondContact O-CB 3.31Å; R378-A382 PolarHBondContact O-N 3.32Å |
| 379 | K | 96.2 | Very high | 95.7 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 29% | 0.287 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -37.2 | 175 | -72.8 | -162.7 | 178.8 | -169.7 | 0 | 112 | F352 V360 E363 I375 L376 A382 L383 | F352-K379 HydrophobicContact CE1-CB 4.37Å; F352-K379 HydrophobicContact CZ-CB 3.88Å; V360-K379 HydrophobicContact CG2-CD 4.03Å; E363-K379 IonicContact OE1-NZ 2.8Å; E363-K379 PolarHBondContact OE1-NZ 2.89Å; E363-K379 IonicContact OE2-NZ 2.81Å; E363-K379 PolarHBondContact OE2-NZ 3.44Å; I375-K379 HydrophobicContact CG2-CG 4.41Å; I375-K379 PolarHBondContact O-N 2.81Å; L376-K379 PolarHBondContact O-N 3.31Å; K379-A382 PolarHBondContact O-N 3.49Å; K379-L383 PolarHBondContact O-N 2.96Å |
| 380 | W | 97.7 | Very high | 96 | Very high | 16 Ų | 16 | 66.8 Ų | 66.8 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.9 | -50.3 | 175.7 | 170.7 | -101.6 | 0 | 0 | 0 | 112.2 | A348 F349 F352 L376 G377 R378 A382 L383 Q388 Y391 Y392 | A348-W380 HydrophobicContact CB-CH2 3.73Å; A348-W380 HydrophobicContact CB-CZ2 4.28Å; F349-W380 HydrophobicContact CB-CD2 4.37Å; F349-W380 HydrophobicContact CD2-CB 3.69Å; F349-W380 AromaticContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CD2 3.81Å; F349-W380 HydrophobicContact CD2-CE3 4.26Å; F349-W380 AromaticContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CD2-CG 3.52Å; F349-W380 HydrophobicContact CE2-CB 3.69Å; F349-W380 HydrophobicContact CE2-CG 4.02Å; F349-W380 HydrophobicContact CG-CG 4.47Å; F352-W380 HydrophobicContact CB-CE3 3.63Å; F352-W380 HydrophobicContact CB-CZ3 3.79Å; F352-W380 HydrophobicContact CD1-CB 3.96Å; F352-W380 HydrophobicContact CD1-CD2 4.48Å; F352-W380 AromaticContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD1-CE3 3.82Å; F352-W380 HydrophobicContact CD2-CE3 4.01Å; F352-W380 HydrophobicContact CD2-CZ3 4.48Å; F352-W380 HydrophobicContact CE1-CB 3.69Å; F352-W380 HydrophobicContact CE1-CE3 4.46Å; F352-W380 AromaticContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CE3 3.56Å; F352-W380 HydrophobicContact CG-CZ3 4.14Å; F352-W380 HydrophobicContact CZ-CB 4.3Å; L376-W380 WeakPolarHBondContact O-CB 3.41Å; L376-W380 PolarHBondContact O-N 3.12Å; G377-W380 PolarHBondContact O-N 3.31Å; R378-W380 VanDerWaalsContact C-N 3.3Å; R378-W380 PolarHBondContact O-N 2.93Å; W380-A382 PolarHBondContact O-N 3.43Å; W380-L383 HydrophobicContact CE3-CD1 3.93Å; W380-L383 HydrophobicContact CZ3-CD1 4.13Å; W380-L383 WeakPolarHBondContact O-CB 3.32Å; W380-L383 PolarHBondContact O-N 2.59Å; W380-L383 VanDerWaalsContact O-N 3.15Å; W380-Q388 HydrophobicContact CH2-CB 4.06Å; W380-Q388 HydrophobicContact CH2-CG 4.13Å; W380-Q388 HydrophobicContact CZ2-CB 4.37Å; W380-Q388 HydrophobicContact CZ2-CG 4.21Å; W380-Q388 HydrophobicContact CZ3-CG 4.41Å; W380-Q388 PolarHBondContact O-NE2 3.08Å; W380-Y391 AromaticContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CG 4.04Å; W380-Y392 HydrophobicContact CH2-CE2 4.18Å; W380-Y392 AromaticContact CZ2-CE2 3.98Å; W380-Y392 HydrophobicContact CZ2-CE2 3.98Å |
| 381 | H | 96.7 | Very high | 96.2 | Very high | 147 Ų | 147 | 64.6 Ų | 64.6 | 68% | 0.681 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69 | -20.2 | 178.8 | -70.5 | -64.4 | 0 | 0 | 0 | 113.5 | G377 R378 | G377-H381 PolarHBondContact O-CD2 3.04Å; G377-H381 PolarHBondContact O-N 3.17Å; G377-H381 VanDerWaalsContact O-N 3.12Å; R378-H381 PolarHBondContact O-N 2.82Å |
| 382 | A | 97.2 | Very high | 96.4 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 70% | 0.702 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -7.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R378 K379 W380 | R378-A382 WeakPolarHBondContact O-CB 3.31Å; R378-A382 PolarHBondContact O-N 3.32Å; K379-A382 PolarHBondContact O-N 3.49Å; W380-A382 PolarHBondContact O-N 3.43Å |
| 383 | L | 96.1 | Very high | 96.7 | Very high | 45 Ų | 45 | 76.5 Ų | 76.5 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -68.6 | 141.1 | 172.1 | -70.6 | -174.2 | 0 | 0 | 0 | 111.1 | F352 K379 W380 A387 Q388 Y391 | F352-L383 HydrophobicContact CD2-CD1 3.75Å; F352-L383 HydrophobicContact CE2-CD1 3.59Å; F352-L383 HydrophobicContact CE2-CD2 4.19Å; F352-L383 HydrophobicContact CE2-CG 4.04Å; F352-L383 HydrophobicContact CZ-CD1 4.4Å; K379-L383 PolarHBondContact O-N 2.96Å; W380-L383 HydrophobicContact CE3-CD1 3.93Å; W380-L383 HydrophobicContact CZ3-CD1 4.13Å; W380-L383 WeakPolarHBondContact O-CB 3.32Å; W380-L383 PolarHBondContact O-N 2.59Å; W380-L383 VanDerWaalsContact O-N 3.15Å; L383-A387 HydrophobicContact CB-CB 4.14Å; L383-A387 HydrophobicContact CD1-CB 4.44Å; L383-A387 HydrophobicContact CD2-CB 4.17Å; L383-A387 HydrophobicContact CG-CB 4.5Å; L383-Q388 HydrophobicContact CB-CG 3.63Å; L383-Q388 HydrophobicContact CD1-CG 4.17Å; L383-Q388 PolarHBondContact O-NE2 3.08Å; L383-Y391 HydrophobicContact CD1-CD2 4.17Å; L383-Y391 HydrophobicContact CD1-CE2 3.86Å |
| 384 | S | 97.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 75.9 Ų | 75.9 | 48% | 0.483 | 39% | 0.393 | S | S | . | . | | | trans | -59.5 | 156.8 | 168 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | E386 A387 Q388 | S384-E386 PolarHBondContact O-N 3.12Å; S384-A387 PolarHBondContact O-N 3.39Å; S384-A387 WeakPolarHBondContact OG-CB 3.43Å; S384-A387 PolarHBondContact OG-N 3.17Å; S384-Q388 WeakPolarHBondContact O-CG 3.45Å; S384-Q388 PolarHBondContact O-N 3.19Å |
| 385 | S | 96.4 | Very high | 96.9 | Very high | 105 Ų | 105 | 70.7 Ų | 70.7 | 73% | 0.734 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -56.3 | -39.4 | 179 | -171.8 | 0 | 0 | 0 | 0 | 112.3 | Q388 A389 | S385-Q388 PolarHBondContact O-N 2.89Å; S385-A389 WeakPolarHBondContact O-CB 3.48Å; S385-A389 PolarHBondContact O-N 3.11Å |
| 386 | E | 97 | Very high | 97.1 | Very high | 164 Ų | 164 | 75.4 Ų | 75.4 | 77% | 0.766 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | 174 | -175.3 | -177 | -169.3 | 0 | 0 | 112.6 | S384 Q388 A389 K390 | S384-E386 PolarHBondContact O-N 3.12Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 3.36Å; E386-A389 WeakPolarHBondContact O-CB 3.31Å; E386-A389 PolarHBondContact O-N 3.47Å; E386-K390 PolarHBondContact O-N 3.21Å |
| 387 | A | 96.6 | Very high | 97.2 | Very high | 33 Ų | 33 | 79.3 Ų | 79.3 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L383 S384 K390 Y391 | L383-A387 HydrophobicContact CB-CB 4.14Å; L383-A387 HydrophobicContact CD1-CB 4.44Å; L383-A387 HydrophobicContact CD2-CB 4.17Å; L383-A387 HydrophobicContact CG-CB 4.5Å; S384-A387 PolarHBondContact O-N 3.39Å; S384-A387 WeakPolarHBondContact OG-CB 3.43Å; S384-A387 PolarHBondContact OG-N 3.17Å; A387-K390 WeakPolarHBondContact O-CB 3.28Å; A387-Y391 WeakPolarHBondContact O-CD2 3.28Å; A387-Y391 WeakPolarHBondContact O-CE2 3.29Å |
| 388 | Q | 97 | Very high | 97.1 | Very high | 39 Ų | 39 | 81.2 Ų | 81.2 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.1 | -38.4 | 169.6 | -64.4 | -177.3 | 28.5 | 0 | 0 | 111.6 | W380 L383 S384 S385 E386 K390 Y391 Y392 | W380-Q388 HydrophobicContact CH2-CB 4.06Å; W380-Q388 HydrophobicContact CH2-CG 4.13Å; W380-Q388 HydrophobicContact CZ2-CB 4.37Å; W380-Q388 HydrophobicContact CZ2-CG 4.21Å; W380-Q388 HydrophobicContact CZ3-CG 4.41Å; W380-Q388 PolarHBondContact O-NE2 3.08Å; L383-Q388 HydrophobicContact CB-CG 3.63Å; L383-Q388 HydrophobicContact CD1-CG 4.17Å; L383-Q388 PolarHBondContact O-NE2 3.08Å; S384-Q388 WeakPolarHBondContact O-CG 3.45Å; S384-Q388 PolarHBondContact O-N 3.19Å; S385-Q388 PolarHBondContact O-N 2.89Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 3.36Å; Q388-K390 VanDerWaalsContact C-N 3.29Å; Q388-K390 PolarHBondContact O-N 1.94Å; Q388-Y391 PolarHBondContact O-N 3.28Å; Q388-Y392 HydrophobicContact CB-CD2 4.22Å; Q388-Y392 HydrophobicContact CB-CE2 4.08Å; Q388-Y392 VanDerWaalsContact O-CD2 3.27Å; Q388-Y392 WeakPolarHBondContact O-CD2 3.34Å; Q388-Y392 PolarHBondContact O-N 3.42Å |
| 389 | A | 97.4 | Very high | 97.1 | Very high | 49 Ų | 49 | 79.6 Ų | 79.6 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.7 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S385 E386 Y391 Y392 K393 | S385-A389 WeakPolarHBondContact O-CB 3.48Å; S385-A389 PolarHBondContact O-N 3.11Å; E386-A389 WeakPolarHBondContact O-CB 3.31Å; E386-A389 PolarHBondContact O-N 3.47Å; A389-Y391 VanDerWaalsContact C-N 3.3Å; A389-Y391 PolarHBondContact O-N 2.85Å; A389-Y392 PolarHBondContact O-N 3.31Å; A389-K393 WeakPolarHBondContact O-CB 3.09Å; A389-K393 PolarHBondContact O-N 2.86Å |
| 390 | K | 97.3 | Very high | 97 | Very high | 90 Ų | 90 | 80.5 Ų | 80.5 | 39% | 0.391 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -46.6 | -54.6 | 165.5 | 175 | -164.1 | 165.6 | -163.5 | 0 | 110.6 | E355 E386 A387 Q388 K393 L394 | E355-K390 IonicContact OE1-NZ 3.98Å; E355-K390 PolarHBondContact OE1-NZ 3.18Å; E355-K390 IonicContact OE2-NZ 2.83Å; E355-K390 PolarHBondContact OE2-NZ 3.43Å; E386-K390 PolarHBondContact O-N 3.21Å; A387-K390 WeakPolarHBondContact O-CB 3.28Å; Q388-K390 VanDerWaalsContact C-N 3.29Å; Q388-K390 PolarHBondContact O-N 1.94Å; K390-K393 PolarHBondContact O-N 3.43Å; K390-L394 HydrophobicContact CG-CD1 4.14Å; K390-L394 WeakPolarHBondContact O-CG 3.36Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å |
| 391 | Y | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 82 Ų | 82 | 5% | 0.051 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.2 | -30.7 | -175.7 | -58.8 | -75 | 0 | 0 | 0 | 113.1 | L351 F352 E355 W380 L383 A387 Q388 A389 L394 A395 | L351-Y391 HydrophobicContact CB-CD1 4.17Å; F352-Y391 HydrophobicContact CB-CD1 4.13Å; F352-Y391 HydrophobicContact CB-CD2 4.37Å; F352-Y391 HydrophobicContact CB-CE1 4.17Å; F352-Y391 HydrophobicContact CB-CE2 4.41Å; F352-Y391 HydrophobicContact CB-CG 4.24Å; F352-Y391 HydrophobicContact CD2-CD2 4.39Å; F352-Y391 HydrophobicContact CD2-CE1 4.49Å; F352-Y391 AromaticContact CD2-CE2 3.78Å; F352-Y391 HydrophobicContact CD2-CE2 3.78Å; F352-Y391 AromaticContact CD2-CZ 3.83Å; E355-Y391 PolarHBondContact OE1-OH 3.1Å; E355-Y391 WeakPolarHBondContact OE2-CE1 3.4Å; E355-Y391 PolarHBondContact OE2-OH 2.92Å; W380-Y391 AromaticContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CD2 3.76Å; W380-Y391 HydrophobicContact CZ3-CG 4.04Å; L383-Y391 HydrophobicContact CD1-CD2 4.17Å; L383-Y391 HydrophobicContact CD1-CE2 3.86Å; A387-Y391 WeakPolarHBondContact O-CD2 3.28Å; A387-Y391 WeakPolarHBondContact O-CE2 3.29Å; Q388-Y391 PolarHBondContact O-N 3.28Å; A389-Y391 VanDerWaalsContact C-N 3.3Å; A389-Y391 PolarHBondContact O-N 2.85Å; Y391-L394 HydrophobicContact CD1-CD1 4.47Å; Y391-A395 VanDerWaalsContact O-CB 3.23Å; Y391-A395 WeakPolarHBondContact O-CB 3.4Å; Y391-A395 PolarHBondContact O-N 2.74Å |
| 392 | Y | 98.2 | Very high | 96.9 | Very high | 137 Ų | 137 | 75.4 Ų | 75.4 | 54% | 0.537 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 171.2 | -77.5 | -73.3 | 0 | 0 | 0 | 112.3 | A348 W380 Q388 A389 A395 K396 | A348-Y392 HydrophobicContact CB-CD1 3.87Å; A348-Y392 HydrophobicContact CB-CD2 4.4Å; A348-Y392 HydrophobicContact CB-CE1 4.06Å; A348-Y392 HydrophobicContact CB-CG 4.05Å; W380-Y392 HydrophobicContact CH2-CE2 4.18Å; W380-Y392 AromaticContact CZ2-CE2 3.98Å; W380-Y392 HydrophobicContact CZ2-CE2 3.98Å; Q388-Y392 HydrophobicContact CB-CD2 4.22Å; Q388-Y392 HydrophobicContact CB-CE2 4.08Å; Q388-Y392 VanDerWaalsContact O-CD2 3.27Å; Q388-Y392 WeakPolarHBondContact O-CD2 3.34Å; Q388-Y392 PolarHBondContact O-N 3.42Å; A389-Y392 PolarHBondContact O-N 3.31Å; Y392-A395 PolarHBondContact O-N 3.3Å; Y392-K396 PolarHBondContact O-N 3.05Å |
| 393 | K | 97.8 | Very high | 96.7 | Very high | 135 Ų | 135 | 77.3 Ų | 77.3 | 59% | 0.587 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.2 | -48.2 | 173.7 | -174.3 | 177.5 | -179.6 | 179.7 | 0 | 111.1 | A389 K390 A395 K396 Q397 | A389-K393 WeakPolarHBondContact O-CB 3.09Å; A389-K393 PolarHBondContact O-N 2.86Å; K390-K393 PolarHBondContact O-N 3.43Å; K393-A395 PolarHBondContact O-N 2.92Å; K393-K396 PolarHBondContact O-N 2.84Å; K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.31Å |
| 394 | L | 97.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 84.3 Ų | 84.3 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 176.1 | -68.8 | 167.6 | 0 | 0 | 0 | 112.3 | L351 K390 Y391 K396 Q397 E398 | L351-L394 HydrophobicContact CD1-CB 3.71Å; K390-L394 HydrophobicContact CG-CD1 4.14Å; K390-L394 WeakPolarHBondContact O-CG 3.36Å; K390-L394 PolarHBondContact O-N 3.3Å; K390-L394 VanDerWaalsContact O-N 3.09Å; Y391-L394 HydrophobicContact CD1-CD1 4.47Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.22Å; L394-Q397 PolarHBondContact O-N 2.91Å; L394-E398 WeakPolarHBondContact O-CB 3.07Å; L394-E398 PolarHBondContact O-N 3.03Å |
| 395 | A | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 84.7 Ų | 84.7 | 13% | 0.132 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -66.1 | -33.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A348 L351 Y391 Y392 K393 K399 | A348-A395 HydrophobicContact CB-CB 4.19Å; L351-A395 HydrophobicContact CD1-CB 3.98Å; Y391-A395 VanDerWaalsContact O-CB 3.23Å; Y391-A395 WeakPolarHBondContact O-CB 3.4Å; Y391-A395 PolarHBondContact O-N 2.74Å; Y392-A395 PolarHBondContact O-N 3.3Å; K393-A395 PolarHBondContact O-N 2.92Å; A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 3.46Å |
| 396 | K | 97.4 | Very high | 96.3 | Very high | 134 Ų | 134 | 80.9 Ų | 80.9 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65 | -47 | 171.3 | 179 | 174 | 172.8 | 178.5 | 0 | 110.7 | Y392 K393 L394 K399 E400 | Y392-K396 PolarHBondContact O-N 3.05Å; K393-K396 PolarHBondContact O-N 2.84Å; L394-K396 VanDerWaalsContact C-N 3.34Å; L394-K396 PolarHBondContact O-N 3.22Å; K396-K399 PolarHBondContact O-N 2.89Å; K396-E400 WeakPolarHBondContact CE-OE1 3.3Å; K396-E400 VanDerWaalsContact CG-OE1 3.28Å; K396-E400 WeakPolarHBondContact CG-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CG 3.06Å; K396-E400 PolarHBondContact O-N 2.83Å |
| 397 | Q | 97.3 | Very high | 96 | Very high | 83 Ų | 83 | 78.4 Ų | 78.4 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 177.1 | -68.7 | 174.3 | -58 | 0 | 0 | 112.5 | K393 L394 K399 E400 L401 | K393-Q397 WeakPolarHBondContact O-CG 3.48Å; K393-Q397 PolarHBondContact O-N 3.31Å; L394-Q397 PolarHBondContact O-N 2.91Å; Q397-K399 PolarHBondContact O-N 3.08Å; Q397-E400 PolarHBondContact O-N 2.99Å; Q397-L401 VanDerWaalsContact O-CB 3.28Å; Q397-L401 WeakPolarHBondContact O-CB 3.38Å; Q397-L401 PolarHBondContact O-N 3.32Å |
| 398 | E | 95.7 | Very high | 95.5 | Very high | 58 Ų | 58 | 80.1 Ų | 80.1 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 175.8 | -178.9 | 67.3 | -170.1 | 0 | 0 | 111.7 | P345 L346 L394 H402 | P345-E398 HydrophobicContact CB-CG 3.91Å; L346-E398 HydrophobicContact CB-CG 4.26Å; L394-E398 WeakPolarHBondContact O-CB 3.07Å; L394-E398 PolarHBondContact O-N 3.03Å; E398-H402 WeakPolarHBondContact O-CB 3.1Å; E398-H402 PolarHBondContact O-N 3.5Å |
| 399 | K | 95.6 | Very high | 95.2 | Very high | 131 Ų | 131 | 81.3 Ų | 81.3 | 57% | 0.57 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.3 | -45.6 | 173.9 | -178.5 | -169.3 | 171.8 | -167.6 | 0 | 111.9 | A395 K396 Q397 H402 Q403 | A395-K399 WeakPolarHBondContact O-CB 3.26Å; A395-K399 PolarHBondContact O-N 3.46Å; K396-K399 PolarHBondContact O-N 2.89Å; Q397-K399 PolarHBondContact O-N 3.08Å; K399-H402 PolarHBondContact O-N 3.17Å; K399-Q403 WeakPolarHBondContact O-CB 3.49Å; K399-Q403 PolarHBondContact O-N 3.48Å |
| 400 | E | 96 | Very high | 94.8 | Very high | 85 Ų | 85 | 80.9 Ų | 80.9 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 179.7 | -73.2 | 168.2 | -173 | 0 | 0 | 112.1 | K396 Q397 Q403 R404 | K396-E400 WeakPolarHBondContact CE-OE1 3.3Å; K396-E400 VanDerWaalsContact CG-OE1 3.28Å; K396-E400 WeakPolarHBondContact CG-OE1 3.32Å; K396-E400 IonicContact NZ-OE1 3Å; K396-E400 WeakPolarHBondContact O-CG 3.06Å; K396-E400 PolarHBondContact O-N 2.83Å; Q397-E400 PolarHBondContact O-N 2.99Å; E400-Q403 PolarHBondContact O-N 2.83Å; E400-R404 WeakPolarHBondContact O-CB 2.88Å; E400-R404 PolarHBondContact O-N 3.5Å |
| 401 | L | 96.3 | Very high | 94.2 | Very high | 48 Ų | 48 | 78.9 Ų | 78.9 | 25% | 0.251 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 173.3 | 177.8 | 62.1 | 0 | 0 | 0 | 111 | F308 Q397 Q403 R404 L405 | F308-L401 HydrophobicContact CE2-CD2 4.17Å; F308-L401 HydrophobicContact CZ-CD2 4.05Å; Q397-L401 VanDerWaalsContact O-CB 3.28Å; Q397-L401 WeakPolarHBondContact O-CB 3.38Å; Q397-L401 PolarHBondContact O-N 3.32Å; L401-Q403 PolarHBondContact O-N 3.21Å; L401-R404 PolarHBondContact O-N 3.2Å; L401-L405 HydrophobicContact CD1-CD1 4.01Å; L401-L405 HydrophobicContact CD1-CG 4.23Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CG 3.44Å; L401-L405 PolarHBondContact O-N 3.39Å |
| 402 | H | 95.5 | Very high | 93.6 | Very high | 8 Ų | 8 | 87.6 Ų | 87.6 | 4% | 0.037 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 177.2 | -171.6 | -66.2 | 0 | 0 | 0 | 112.1 | I342 K343 P345 E398 K399 R404 L405 Y406 W409 | I342-H402 WeakPolarHBondContact CG2-NE2 3.36Å; K343-H402 PolarHBondContact O-NE2 3.06Å; P345-H402 HydrophobicContact CB-CB 3.82Å; P345-H402 HydrophobicContact CG-CB 4.17Å; E398-H402 WeakPolarHBondContact O-CB 3.1Å; E398-H402 PolarHBondContact O-N 3.5Å; K399-H402 PolarHBondContact O-N 3.17Å; H402-R404 VanDerWaalsContact C-N 3.3Å; H402-R404 PolarHBondContact O-N 3.35Å; H402-L405 PolarHBondContact O-N 3.31Å; H402-Y406 AromaticContact ND1-CD2 4Å; H402-Y406 PolarHBondContact O-N 3.48Å; H402-W409 WeakPolarHBondContact CE1-CB 3.32Å; H402-W409 AromaticContact CE1-CD1 2.82Å; H402-W409 AromaticContact CE1-CD2 2.65Å; H402-W409 AromaticContact CE1-CE2 3.02Å; H402-W409 AromaticContact CE1-CE3 3.33Å; H402-W409 AromaticContact CE1-CG 2.53Å; H402-W409 AromaticContact CE1-CZ2 3.92Å; H402-W409 AromaticContact CE1-NE1 3.08Å; H402-W409 PolarHBondContact CE1-NE1 3.38Å; H402-W409 AromaticContact NE2-NE1 3.88Å |
| 403 | Q | 93.7 | Very high | 92.9 | Very high | 124 Ų | 124 | 85.9 Ų | 85.9 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64.1 | -34.1 | 175.6 | -172.9 | 172.9 | 1.3 | 0 | 0 | 112.4 | K399 E400 L401 Y406 P407 | K399-Q403 WeakPolarHBondContact O-CB 3.49Å; K399-Q403 PolarHBondContact O-N 3.48Å; E400-Q403 PolarHBondContact O-N 2.83Å; L401-Q403 PolarHBondContact O-N 3.21Å; Q403-Y406 CarbonylContact O-C 3.59Å; Q403-P407 VanDerWaalsContact O-CA 3.28Å; Q403-P407 WeakPolarHBondContact O-CA 3.25Å |
| 404 | R | 94.2 | Very high | 92.2 | Very high | 193 Ų | 193 | 80.7 Ų | 80.7 | 73% | 0.728 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.4 | -39.2 | 174.9 | -172.4 | 179 | -64.5 | 131.4 | 4.4 | 112.8 | E400 L401 H402 | E400-R404 WeakPolarHBondContact O-CB 2.88Å; E400-R404 PolarHBondContact O-N 3.5Å; L401-R404 PolarHBondContact O-N 3.2Å; H402-R404 VanDerWaalsContact C-N 3.3Å; H402-R404 PolarHBondContact O-N 3.35Å |
| 405 | L | 93.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 81.1 Ų | 81.1 | 40% | 0.403 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -75.8 | -33.1 | 178.3 | -68.2 | 172.9 | 0 | 0 | 0 | 112.6 | L401 H402 | L401-L405 HydrophobicContact CD1-CD1 4.01Å; L401-L405 HydrophobicContact CD1-CG 4.23Å; L401-L405 HydrophobicContact CG-CD1 4Å; L401-L405 WeakPolarHBondContact O-CG 3.44Å; L401-L405 PolarHBondContact O-N 3.39Å; H402-L405 PolarHBondContact O-N 3.31Å |
| 406 | Y | 92.4 | Very high | 89.8 | Confident | 24 Ų | 24 | 82.8 Ų | 82.8 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | | | trans | -131.3 | 65.2 | -175 | -52.1 | -74.1 | 0 | 0 | 0 | 111.6 | F313 Y338 I342 H402 Q403 G408 W409 | F313-Y406 VanDerWaalsContact CD1-OH 3.32Å; F313-Y406 WeakPolarHBondContact CD1-OH 3.4Å; F313-Y406 AromaticContact CE1-CE2 3.66Å; F313-Y406 HydrophobicContact CE1-CE2 3.66Å; F313-Y406 AromaticContact CE1-CZ 3.5Å; F313-Y406 WeakPolarHBondContact CE1-OH 3.47Å; F313-Y406 HydrophobicContact CE2-CE2 4Å; F313-Y406 HydrophobicContact CZ-CD2 4.28Å; F313-Y406 AromaticContact CZ-CE2 3.32Å; F313-Y406 HydrophobicContact CZ-CE2 3.32Å; F313-Y406 AromaticContact CZ-CZ 3.71Å; Y338-Y406 AromaticContact CD1-CE1 3.9Å; Y338-Y406 HydrophobicContact CD1-CE1 3.9Å; Y338-Y406 AromaticContact CD2-CD1 3.77Å; Y338-Y406 HydrophobicContact CD2-CD1 3.77Å; Y338-Y406 AromaticContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CD2-CE1 3.92Å; Y338-Y406 HydrophobicContact CE1-CD1 4.4Å; Y338-Y406 AromaticContact CE1-CE1 3.7Å; Y338-Y406 HydrophobicContact CE1-CE1 3.7Å; Y338-Y406 AromaticContact CE2-CD1 3.56Å; Y338-Y406 HydrophobicContact CE2-CD1 3.56Å; Y338-Y406 AromaticContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CE2-CE1 3.72Å; Y338-Y406 HydrophobicContact CG-CD1 4.29Å; Y338-Y406 HydrophobicContact CG-CE1 4.01Å; Y338-Y406 AromaticContact CZ-CD1 3.91Å; Y338-Y406 AromaticContact CZ-CE1 3.61Å; I342-Y406 HydrophobicContact CD1-CD1 3.45Å; I342-Y406 VanDerWaalsContact CD1-CD1 3.45Å; I342-Y406 HydrophobicContact CD1-CE1 3.96Å; I342-Y406 HydrophobicContact CD1-CG 4.02Å; I342-Y406 HydrophobicContact CG1-CD1 4.02Å; I342-Y406 HydrophobicContact CG1-CE1 4.07Å; I342-Y406 HydrophobicContact CG2-CD1 4.2Å; I342-Y406 HydrophobicContact CG2-CD2 3.86Å; I342-Y406 HydrophobicContact CG2-CE1 4.4Å; I342-Y406 HydrophobicContact CG2-CE2 4.1Å; I342-Y406 HydrophobicContact CG2-CG 3.94Å; H402-Y406 AromaticContact ND1-CD2 4Å; H402-Y406 PolarHBondContact O-N 3.48Å; Q403-Y406 CarbonylContact O-C 3.59Å; Y406-G408 PolarHBondContact O-N 2.84Å; Y406-G408 VanDerWaalsContact O-N 3.11Å; Y406-W409 VanDerWaalsContact O-CB 3.26Å; Y406-W409 WeakPolarHBondContact O-CB 3.36Å; Y406-W409 PolarHBondContact O-N 3.36Å |
| 407 | P | 89.8 | Confident | 88.1 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 73% | 0.727 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -22.1 | -173.8 | 24.8 | -35.2 | 0 | 0 | 0 | 114.3 | Q403 | Q403-P407 VanDerWaalsContact O-CA 3.28Å; Q403-P407 WeakPolarHBondContact O-CA 3.25Å |
| 408 | G | 87.1 | Confident | 86.4 | Confident | 70 Ų | 70 | 79.1 Ų | 79.1 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 7.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y406 | Y406-G408 PolarHBondContact O-N 2.84Å; Y406-G408 VanDerWaalsContact O-N 3.11Å |
| 409 | W | 90.2 | Very high | 84.6 | Confident | 64 Ų | 64 | 81.3 Ų | 81.3 | 24% | 0.242 | 42% | 0.424 | C | S | . | . | | | trans | -78.3 | 136 | -178.4 | -179.7 | 101.3 | 0 | 0 | 0 | 112 | I342 K344 H402 Y406 A411 N414 Y415 | I342-W409 PolarHBondContact O-NE1 3.13Å; I342-W409 VanDerWaalsContact O-NE1 3.08Å; K344-W409 HydrophobicContact CB-CH2 4.28Å; K344-W409 HydrophobicContact CB-CZ2 4.2Å; K344-W409 HydrophobicContact CG-CH2 3.81Å; K344-W409 HydrophobicContact CG-CZ2 3.71Å; H402-W409 WeakPolarHBondContact CE1-CB 3.32Å; H402-W409 AromaticContact CE1-CD1 2.82Å; H402-W409 AromaticContact CE1-CD2 2.65Å; H402-W409 AromaticContact CE1-CE2 3.02Å; H402-W409 AromaticContact CE1-CE3 3.33Å; H402-W409 AromaticContact CE1-CG 2.53Å; H402-W409 AromaticContact CE1-CZ2 3.92Å; H402-W409 AromaticContact CE1-NE1 3.08Å; H402-W409 PolarHBondContact CE1-NE1 3.38Å; H402-W409 AromaticContact NE2-NE1 3.88Å; Y406-W409 VanDerWaalsContact O-CB 3.26Å; Y406-W409 WeakPolarHBondContact O-CB 3.36Å; Y406-W409 PolarHBondContact O-N 3.36Å; W409-A411 HydrophobicContact CH2-CB 3.76Å; W409-A411 HydrophobicContact CZ2-CB 4.49Å; W409-A411 HydrophobicContact CZ3-CB 4.01Å; W409-N414 PolarHBondContact NE1-ND2 2.91Å; W409-Y415 HydrophobicContact CZ2-CE2 4.14Å |
| 410 | S | 88.3 | Confident | 82.9 | Confident | 40 Ų | 40 | 83 Ų | 83 | 28% | 0.28 | 43% | 0.432 | S | S | . | . | | | trans | -132.1 | 132 | 177.3 | 156.8 | 0 | 0 | 0 | 0 | 109.8 | R412 D413 N414 | S410-R412 PolarHBondContact O-N 3.03Å; S410-R412 VanDerWaalsContact O-N 3.17Å; S410-R412 WeakPolarHBondContact OG-CB 3.39Å; S410-R412 PolarHBondContact OG-N 3.47Å; S410-D413 WeakPolarHBondContact CB-OD2 3.11Å; S410-D413 PolarHBondContact O-N 3.1Å; S410-D413 PolarHBondContact OG-N 3.45Å; S410-D413 PolarHBondContact OG-OD2 3.45Å; S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.28Å; S410-N414 PolarHBondContact O-N 3.04Å; S410-N414 VanDerWaalsContact O-N 3.12Å |
| 411 | A | 85.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 86.2 Ų | 86.2 | 40% | 0.397 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.5 | -22 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | W409 Y415 | W409-A411 HydrophobicContact CH2-CB 3.76Å; W409-A411 HydrophobicContact CZ2-CB 4.49Å; W409-A411 HydrophobicContact CZ3-CB 4.01Å; A411-Y415 WeakPolarHBondContact O-CD2 3.42Å |
| 412 | R | 85 | Confident | 79.4 | Confident | 196 Ų | 196 | 93.6 Ų | 93.6 | 74% | 0.74 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -76.3 | -57.8 | 174.9 | -178.4 | -178.4 | -176 | 174.5 | -0.6 | 110.1 | S410 N414 Y415 A416 | S410-R412 PolarHBondContact O-N 3.03Å; S410-R412 VanDerWaalsContact O-N 3.17Å; S410-R412 WeakPolarHBondContact OG-CB 3.39Å; S410-R412 PolarHBondContact OG-N 3.47Å; R412-N414 PolarHBondContact O-N 3.41Å; R412-Y415 PolarHBondContact O-N 3.13Å; R412-A416 WeakPolarHBondContact O-CB 3.32Å; R412-A416 PolarHBondContact O-N 3.13Å |
| 413 | D | 82.8 | Confident | 77.5 | Confident | 100 Ų | 100 | 96.8 Ų | 96.8 | 54% | 0.535 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73.6 | -34.1 | -166.6 | -55.2 | -68.5 | 0 | 0 | 0 | 112.3 | S410 Y415 | S410-D413 WeakPolarHBondContact CB-OD2 3.11Å; S410-D413 PolarHBondContact O-N 3.1Å; S410-D413 PolarHBondContact OG-N 3.45Å; S410-D413 PolarHBondContact OG-OD2 3.45Å; D413-Y415 PolarHBondContact O-N 3.46Å |
| 414 | N | 83.3 | Confident | 75.7 | Confident | 26 Ų | 26 | 100.8 Ų | 100.8 | 14% | 0.139 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 174.7 | -173.8 | -80.2 | 0 | 0 | 0 | 112.6 | H341 I342 W409 S410 R412 T417 | H341-N414 PolarHBondContact CD2-OD1 3.43Å; I342-N414 PolarHBondContact N-ND2 3.42Å; I342-N414 VanDerWaalsContact O-CG 3.29Å; I342-N414 PolarHBondContact O-ND2 3.5Å; I342-N414 PolarHBondContact O-OD1 3.31Å; W409-N414 PolarHBondContact NE1-ND2 2.91Å; S410-N414 VanDerWaalsContact O-CB 3.3Å; S410-N414 WeakPolarHBondContact O-CB 3.28Å; S410-N414 PolarHBondContact O-N 3.04Å; S410-N414 VanDerWaalsContact O-N 3.12Å; R412-N414 PolarHBondContact O-N 3.41Å; N414-T417 PolarHBondContact O-OG1 3.41Å |
| 415 | Y | 76.6 | Confident | 74 | Confident | 67 Ų | 67 | 97.3 Ų | 97.3 | 26% | 0.263 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -99.2 | -31.8 | -172.7 | -72.6 | -93.7 | 0 | 0 | 0 | 114.5 | H341 K344 W409 A411 R412 D413 T417 Q418 | H341-Y415 AromaticContact CE1-CZ 3.93Å; H341-Y415 PolarHBondContact CE1-OH 3.13Å; H341-Y415 AromaticContact NE2-CE1 3.49Å; H341-Y415 WeakPolarHBondContact NE2-CE1 3.16Å; H341-Y415 AromaticContact NE2-CZ 3.51Å; K344-Y415 HydrophobicContact CD-CE2 4.07Å; K344-Y415 VanDerWaalsContact CE-CE2 3.46Å; K344-Y415 HydrophobicContact CG-CE2 3.58Å; K344-Y415 WeakPolarHBondContact CG-OH 3.49Å; K344-Y415 PolarHBondContact N-OH 3.26Å; K344-Y415 VanDerWaalsContact NZ-CD2 3.35Å; W409-Y415 HydrophobicContact CZ2-CE2 4.14Å; A411-Y415 WeakPolarHBondContact O-CD2 3.42Å; R412-Y415 PolarHBondContact O-N 3.13Å; D413-Y415 PolarHBondContact O-N 3.46Å; Y415-T417 PolarHBondContact O-N 3.41Å; Y415-Q418 PolarHBondContact O-N 3.03Å |
| 416 | A | 68.4 | Low | 72.3 | Confident | 50 Ų | 50 | 99 Ų | 99 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -27.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R412 Q418 V419 | R412-A416 WeakPolarHBondContact O-CB 3.32Å; R412-A416 PolarHBondContact O-N 3.13Å; A416-Q418 PolarHBondContact O-N 2.73Å; A416-V419 PolarHBondContact O-N 3.38Å |
| 417 | T | 62.1 | Low | 70.5 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 44% | 0.436 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.6 | -31 | 174.7 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | N414 Y415 | N414-T417 PolarHBondContact O-OG1 3.41Å; Y415-T417 PolarHBondContact O-N 3.41Å |
| 418 | Q | 60.8 | Low | 68.8 | Low | 69 Ų | 69 | 107.4 Ų | 107.4 | 32% | 0.322 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -82.8 | -29.4 | -176.2 | -53.6 | -64.1 | 32 | 0 | 0 | 112.9 | Y415 A416 K420 R421 R422 | Y415-Q418 PolarHBondContact O-N 3.03Å; A416-Q418 PolarHBondContact O-N 2.73Å; Q418-K420 PolarHBondContact O-N 2.8Å; Q418-R421 PolarHBondContact O-N 3.38Å; Q418-R421 VanDerWaalsContact O-N 3.13Å; Q418-R422 PolarHBondContact O-N 2.72Å |
| 419 | V | 59.4 | Low | 67.4 | Low | 104 Ų | 104 | 111.3 Ų | 111.3 | 63% | 0.63 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.1 | -46.2 | 175.6 | -175.7 | 0 | 0 | 0 | 0 | 110.4 | A416 R421 R422 S423 | A416-V419 PolarHBondContact O-N 3.38Å; V419-R421 PolarHBondContact O-N 3.26Å; V419-R422 PolarHBondContact O-N 3Å; V419-S423 PolarHBondContact O-N 2.79Å; V419-S423 VanDerWaalsContact O-N 3.13Å |
| 420 | K | 59 | Low | 65.3 | Low | 167 Ų | 167 | 115 Ų | 115 | 73% | 0.726 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.7 | -18.9 | 175.7 | -80 | -172.8 | 174.3 | -177.5 | 0 | 114.4 | Q418 | Q418-K420 PolarHBondContact O-N 2.8Å |
| 421 | R | 59.3 | Low | 63.2 | Low | 152 Ų | 152 | 124.3 Ų | 124.3 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.6 | -51 | 172.8 | -70.9 | -172.5 | 178.8 | 107.7 | -1.8 | 111.6 | Q418 V419 S423 R424 | Q418-R421 PolarHBondContact O-N 3.38Å; Q418-R421 VanDerWaalsContact O-N 3.13Å; V419-R421 PolarHBondContact O-N 3.26Å; R421-S423 VanDerWaalsContact C-N 3.31Å; R421-S423 PolarHBondContact O-N 3.44Å; R421-R424 PolarHBondContact O-N 3.37Å |
| 422 | R | 60 | Low | 61.6 | Low | 203 Ų | 203 | 127.7 Ų | 127.7 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.9 | -37.2 | -179.1 | -68 | -175.5 | 178.7 | -166.7 | -2 | 112.9 | Q418 V419 R424 T425 | Q418-R422 PolarHBondContact O-N 2.72Å; V419-R422 PolarHBondContact O-N 3Å; R422-R424 PolarHBondContact O-N 3.19Å; R422-T425 PolarHBondContact O-N 3.22Å |
| 423 | S | 56.4 | Low | 60 | Low | 75 Ų | 75 | 123.8 Ų | 123.8 | 52% | 0.524 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -10.5 | 177.9 | -173.2 | 0 | 0 | 0 | 0 | 115.2 | V419 R421 T427 | V419-S423 PolarHBondContact O-N 2.79Å; V419-S423 VanDerWaalsContact O-N 3.13Å; R421-S423 VanDerWaalsContact C-N 3.31Å; R421-S423 PolarHBondContact O-N 3.44Å; S423-T427 PolarHBondContact O-OG1 3Å |
| 424 | R | 55.4 | Low | 58.4 | Low | 208 Ų | 208 | 125.9 Ų | 125.9 | 79% | 0.785 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -19.1 | 180 | -67.4 | 179.1 | 178.9 | 178.5 | -2.9 | 113.8 | R421 R422 | R421-R424 PolarHBondContact O-N 3.37Å; R422-R424 PolarHBondContact O-N 3.19Å |
| 425 | T | 57.9 | Low | 56.6 | Low | 121 Ų | 121 | 130.2 Ų | 130.2 | 74% | 0.742 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -25.3 | -173.1 | -36.7 | 0 | 0 | 0 | 0 | 112.7 | R422 | R422-T425 PolarHBondContact O-N 3.22Š|
| 426 | T | 58.1 | Low | 55.2 | Low | 112 Ų | 112 | 132.7 Ų | 132.7 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -88.6 | -20.2 | -173.3 | -48 | 0 | 0 | 0 | 0 | 113.7 | K428 | T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 2.91Å; T426-K428 VanDerWaalsContact O-N 3.16Å |
| 427 | T | 54 | Low | 54.5 | Low | 117 Ų | 117 | 135.5 Ų | 135.5 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 31.7 | -170.4 | -32.8 | 0 | 0 | 0 | 0 | 114.2 | S423 | S423-T427 PolarHBondContact O-OG1 3Š|
| 428 | K | 55.8 | Low | 53.8 | Low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 9.1 | 178.9 | -109.5 | -169 | 176.8 | -168.1 | 0 | 115.3 | T426 | T426-K428 VanDerWaalsContact C-N 3.28Å; T426-K428 PolarHBondContact O-N 2.91Å; T426-K428 VanDerWaalsContact O-N 3.16Å |
| 429 | I | 56.1 | Low | 53.4 | Low | 151 Ų | 151 | 140.6 Ų | 140.6 | 77% | 0.774 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -105.2 | 99.7 | 174 | -57.6 | 178 | 0 | 0 | 0 | 108.9 | R431 | I429-R431 PolarHBondContact O-N 3.29Š|
| 430 | N | 47 | Very low | 52.8 | Low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 73% | 0.731 | S | S | * | * | | | trans | 27.4 | 81.2 | 154.5 | -57.2 | -6.3 | 0 | 0 | 0 | 117.6 | | |
| 431 | R | 43.6 | Very low | 52.4 | Low | 234 Ų | 234 | 139.6 Ų | 139.6 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | trans | -96.5 | 68.4 | 152.5 | -171.7 | 179.9 | -72.9 | 173 | -4.4 | 109.6 | I429 T433 | I429-R431 PolarHBondContact O-N 3.29Å; R431-T433 PolarHBondContact O-N 3.16Å |
| 432 | T | 52.7 | Low | 51.7 | Low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | | | trans | -71.2 | 109.2 | 168.7 | -5.1 | 0 | 0 | 0 | 0 | 108.1 | I434 | T432-I434 PolarHBondContact O-N 3.16Å; T432-I434 VanDerWaalsContact O-N 3.09Å |
| 433 | T | 50.4 | Low | 50.7 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -74.4 | 97.4 | 179.9 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | R431 T435 | R431-T433 PolarHBondContact O-N 3.16Å; T433-T435 PolarHBondContact O-N 3.18Å |
| 434 | I | 51.2 | Low | 50.2 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | trans | -79.1 | 102.5 | 166.1 | -60.6 | 179.4 | 0 | 0 | 0 | 107.5 | T432 T436 | T432-I434 PolarHBondContact O-N 3.16Å; T432-I434 VanDerWaalsContact O-N 3.09Å; I434-T436 VanDerWaalsContact C-N 3.33Å; I434-T436 HydrophobicContact CG2-CG2 4.22Å; I434-T436 PolarHBondContact O-N 3.34Å; I434-T436 VanDerWaalsContact O-N 3.1Å |
| 435 | T | 43.6 | Very low | 49.6 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | | | trans | -80.3 | 80.3 | 173.8 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | T433 T437 | T433-T435 PolarHBondContact O-N 3.18Å; T435-T437 PolarHBondContact O-N 3.05Å; T435-T437 VanDerWaalsContact O-N 3.17Å |
| 436 | T | 48.2 | Very low | 49 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 73% | 0.729 | S | S | * | * | | | trans | -77.8 | 96.6 | 174.8 | 8.7 | 0 | 0 | 0 | 0 | 110.4 | I434 T438 | I434-T436 VanDerWaalsContact C-N 3.33Å; I434-T436 HydrophobicContact CG2-CG2 4.22Å; I434-T436 PolarHBondContact O-N 3.34Å; I434-T436 VanDerWaalsContact O-N 3.1Å; T436-T438 PolarHBondContact O-N 3.3Å |
| 437 | T | 53.8 | Low | 48.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | | | trans | -67.8 | 112.8 | 170.6 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | T435 T439 | T435-T437 PolarHBondContact O-N 3.05Å; T435-T437 VanDerWaalsContact O-N 3.17Å; T437-T439 VanDerWaalsContact C-N 3.34Å; T437-T439 PolarHBondContact O-N 3.17Å |
| 438 | T | 46.9 | Very low | 48 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 72% | 0.717 | S | S | * | * | | | trans | -76.3 | 76.2 | -176.5 | -39.4 | 0 | 0 | 0 | 0 | 112.4 | T436 V440 | T436-T438 PolarHBondContact O-N 3.3Å; T438-V440 HydrophobicContact CG2-CG2 4.36Å; T438-V440 PolarHBondContact O-N 3.1Å |
| 439 | T | 53 | Low | 47.5 | Very low | 115 Ų | 115 | 124.3 Ų | 124.3 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | -71.4 | 107.2 | 167.1 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | T437 T441 | T437-T439 VanDerWaalsContact C-N 3.34Å; T437-T439 PolarHBondContact O-N 3.17Å; T439-T441 PolarHBondContact O-N 3.28Å |
| 440 | V | 46.5 | Very low | 46.7 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | | | trans | -79.5 | 99.9 | -176 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | T438 | T438-V440 HydrophobicContact CG2-CG2 4.36Å; T438-V440 PolarHBondContact O-N 3.1Å |
| 441 | T | 51.4 | Low | 46.6 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | trans | -125.4 | 110.3 | 166.7 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | T439 | T439-T441 PolarHBondContact O-N 3.28Š|
| 442 | T | 44.7 | Very low | 46.2 | Very low | 127 Ų | 127 | 116.5 Ų | 116.5 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | | | trans | -68 | 139.2 | -177.7 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 443 | P | 39 | Very low | 45.4 | Very low | 84 Ų | 84 | 118.1 Ų | 118.1 | 55% | 0.545 | 71% | 0.708 | S | S | . | * | | | trans | -83.2 | 154.2 | -174.9 | 33.9 | -36.1 | 0 | 0 | 0 | 113.3 | Y61 | Y61-P443 HydrophobicContact CE1-CG 3.97Å; Y61-P443 WeakPolarHBondContact OH-CG 3.32Å |
| 444 | T | 45.3 | Very low | 44.5 | Very low | 130 Ų | 130 | 120 Ų | 120 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | | | trans | -139 | 125.5 | 159.4 | -54 | 0 | 0 | 0 | 0 | 107.3 | | |
| 445 | P | 41.6 | Very low | 43.6 | Very low | 62 Ų | 62 | 116.8 Ų | 116.8 | 40% | 0.403 | 72% | 0.715 | S | S | . | * | | | trans | -93.2 | 134.2 | -165.3 | 34.6 | -35.2 | 0 | 0 | 0 | 113.6 | T60 Y61 | T60-P445 HydrophobicContact CG2-CG 4.31Å; Y61-P445 HydrophobicContact CD2-CB 4.14Å; Y61-P445 HydrophobicContact CD2-CG 3.72Å; Y61-P445 HydrophobicContact CE2-CB 3.89Å; Y61-P445 HydrophobicContact CE2-CG 3.92Å |
| 446 | T | 46.6 | Very low | 43 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | | | trans | -139.2 | 102.8 | 169.2 | -44.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 447 | V | 47.2 | Very low | 42.3 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 76% | 0.758 | 71% | 0.709 | S | S | * | * | | | trans | 37.5 | 98.2 | 144.8 | -167.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 448 | V | 42.7 | Very low | 41.2 | Very low | 66 Ų | 66 | 118.1 Ų | 118.1 | 40% | 0.4 | 71% | 0.709 | S | S | . | * | | | trans | 9.2 | 124 | 130.1 | -177.7 | 0 | 0 | 0 | 0 | 118.6 | C58 | C58-V448 HydrophobicContact CB-CG2 3.87Š|
| 449 | T | 46.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 118.5 Ų | 118.5 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | | | | -160.5 | 141.1 | 123.7 | 20.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 450 | D | 40 | Very low | 39.9 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | -76.3 | -179.8 | 172.2 | -79.3 | -59 | 0 | 0 | 0 | 113.7 | | |
| 451 | P | 43.8 | Very low | 39.5 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 64% | 0.643 | 70% | 0.699 | S | S | * | * | | | cis | -140.3 | -176.9 | -39.8 | 39.1 | -22.1 | 0 | 0 | 0 | 114.1 | | |
| 452 | T | 36 | Very low | 38.9 | Very low | 129 Ų | 129 | 118.1 Ų | 118.1 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | | | trans | 8.1 | 117.2 | 152.1 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 453 | I | 34.6 | Very low | 38.7 | Very low | 152 Ų | 152 | 117.9 Ų | 117.9 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | | | trans | -136.2 | 120.6 | 147.3 | -73.4 | -168.8 | 0 | 0 | 0 | 111.2 | | |
| 454 | I | 31.6 | Very low | 38.8 | Very low | 156 Ų | 156 | 119.5 Ų | 119.5 | 80% | 0.8 | 69% | 0.689 | S | S | * | * | | | trans | 26.2 | 128.3 | 138.6 | -44.9 | 172 | 0 | 0 | 0 | 118.5 | | |
| 455 | G | 32.7 | Very low | 38.4 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | | | trans | -170.9 | 42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 456 | N | 31.3 | Very low | 38.1 | Very low | 134 Ų | 134 | 121.8 Ų | 121.8 | 72% | 0.717 | 69% | 0.692 | S | S | * | * | | | trans | 31.6 | 138.1 | 148.1 | -89.8 | 4.9 | 0 | 0 | 0 | 123.8 | | |
| 457 | N | 32.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 124 Ų | 124 | 60% | 0.604 | 69% | 0.694 | S | S | * | * | | | trans | 76.5 | 106.5 | 134.6 | -64.9 | -11.8 | 0 | 0 | 0 | 121.6 | | |
| 458 | N | 32.1 | Very low | 36.7 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | | | | 67.9 | 163.4 | 114.4 | -55.3 | -16.6 | 0 | 0 | 0 | 120.4 | | |
| 459 | N | 36.8 | Very low | 36.2 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | | | trans | 72.6 | 138.3 | 162.2 | -61.3 | -19.7 | 0 | 0 | 0 | 116.5 | | |
| 460 | N | 35.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 66% | 0.663 | 69% | 0.694 | S | S | * | * | | | cis | -169.8 | 170 | -26.2 | -124.6 | -11.7 | 0 | 0 | 0 | 107.9 | | |
| 461 | N | 38.3 | Very low | 35 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | | | trans | 67.8 | 148.9 | 155.8 | -61.6 | -10.6 | 0 | 0 | 0 | 116.6 | | |
| 462 | N | 39.4 | Very low | 34.4 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 59% | 0.594 | 71% | 0.708 | S | S | * | * | | | cis | -162.8 | 153.7 | -15.3 | -113 | -13.4 | 0 | 0 | 0 | 109.8 | | |
| 463 | N | 40.5 | Very low | 34.2 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 65% | 0.652 | 71% | 0.71 | S | S | * | * | | | trans | 65.6 | 145.2 | 144.7 | -61 | -5 | 0 | 0 | 0 | 118.2 | | |
| 464 | N | 39.7 | Very low | 33.9 | Very low | 117 Ų | 117 | 138 Ų | 138 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | | | cis | -158.1 | 160.2 | -5.3 | -119.7 | -9.2 | 0 | 0 | 0 | 113 | | |
| 465 | N | 37.9 | Very low | 34 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | | | trans | 64.5 | 95.3 | 145.4 | -62.6 | -15.7 | 0 | 0 | 0 | 121.1 | | |
| 466 | N | 34.1 | Very low | 33.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 69% | 0.69 | 72% | 0.716 | S | S | * | * | | | | 78.5 | 141.8 | 108.1 | -59.6 | -16.3 | 0 | 0 | 0 | 122.5 | | |
| 467 | H | 34.7 | Very low | 33.9 | Very low | 175 Ų | 175 | 145 Ų | 145 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | | | trans | 67.9 | 140.2 | 155.3 | -74.6 | -67.7 | 0 | 0 | 0 | 119.6 | | |
| 468 | S | 30.6 | Very low | 34 | Very low | 81 Ų | 81 | 148.7 Ų | 148.7 | 57% | 0.566 | 73% | 0.733 | S | S | * | * | | | cis | -175.9 | 168.2 | -34.9 | 40.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 469 | N | 32.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 150 Ų | 150 | 63% | 0.626 | 74% | 0.739 | S | S | * | * | | | trans | 65.3 | 83.3 | 156.9 | -59.9 | -2 | 0 | 0 | 0 | 117.2 | E471 | N469-E471 PolarHBondContact O-N 3.09Š|
| 470 | Y | 28.7 | Very low | 33.7 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | | | | -40.5 | 122.1 | 125 | 26.9 | -94.7 | 0 | 0 | 0 | 111.6 | | |
| 471 | E | 31.3 | Very low | 33.4 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | | | trans | -152.3 | 158.5 | 153.3 | -145.7 | 168.6 | -152.8 | 0 | 0 | 112.2 | N469 | N469-E471 PolarHBondContact O-N 3.09Š|
| 472 | K | 31.9 | Very low | 33.1 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | -112.5 | 130.5 | 177.7 | -58 | 166.5 | -176 | 166 | 0 | 108.9 | | |
| 473 | T | 32.4 | Very low | 32.9 | Very low | 134 Ų | 134 | 149.5 Ų | 149.5 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | | | trans | -162.2 | 147.7 | 147 | 1.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 474 | Y | 28.2 | Very low | 32.8 | Very low | 224 Ų | 224 | 148.5 Ų | 148.5 | 88% | 0.878 | 75% | 0.748 | S | S | * | * | | | trans | -84 | 127 | 164.6 | -77 | -101.2 | 0 | 0 | 0 | 109.1 | | |
| 475 | H | 33.9 | Very low | 32.6 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 79% | 0.792 | 75% | 0.753 | S | S | * | * | | | trans | -146 | 124.5 | 158.3 | -106.5 | 19.7 | 0 | 0 | 0 | 112.7 | | |
| 476 | S | 28 | Very low | 32.5 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -73.3 | 131.9 | 172.7 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 477 | R | 32.7 | Very low | 32.7 | Very low | 227 Ų | 227 | 150.1 Ų | 150.1 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -157.9 | 157.5 | 145.5 | -114.3 | 171.3 | -69.7 | -132.5 | 4.4 | 110.3 | | |
| 478 | K | 34.4 | Very low | 32.7 | Very low | 190 Ų | 190 | 147.2 Ų | 147.2 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | | | trans | -104.6 | 145.2 | -169.2 | -56.2 | 173.9 | 178.4 | 178.2 | 0 | 111.1 | | |
| 479 | L | 30.6 | Very low | 33.1 | Very low | 155 Ų | 155 | 154 Ų | 154 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | 66.6 | 164.8 | 148 | -76.8 | 163.1 | 0 | 0 | 0 | 115.9 | | |
| 480 | P | 33.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | cis | -138.1 | 157.8 | 24.1 | 44.2 | -26.5 | 0 | 0 | 0 | 120.1 | | |
| 481 | S | 28.8 | Very low | 33.4 | Very low | 89 Ų | 89 | 147 Ų | 147 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | 40.8 | 140.7 | 140.1 | 66.8 | 0 | 0 | 0 | 0 | 125.2 | | |
| 482 | S | 32.2 | Very low | 33.6 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | | | trans | 69.8 | 150.9 | 150.2 | 70.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 483 | F | 35 | Very low | 33.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | cis | -135.9 | 148.2 | 18.9 | -119.6 | -101.2 | 0 | 0 | 0 | 111.8 | | |
| 484 | T | 37.6 | Very low | 33.6 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | | | trans | 39.9 | 151.9 | 142.5 | 55.7 | 0 | 0 | 0 | 0 | 123 | | |
| 485 | D | 36.1 | Very low | 33.9 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | cis | -162.2 | 174 | 5.6 | -120.3 | -27.2 | 0 | 0 | 0 | 113.8 | | |
| 486 | S | 35.4 | Very low | 33.7 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 72% | 0.72 | S | S | * | * | | | trans | 67.2 | 143.8 | 153.4 | -68.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 487 | E | 37.5 | Very low | 34 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | | | cis | -169.7 | 163 | -22 | -147.8 | 177.5 | -160.9 | 0 | 0 | 111.7 | | |
| 488 | L | 36.1 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | | | trans | 63.4 | 140.4 | 164.9 | -44.8 | 168.8 | 0 | 0 | 0 | 117.3 | | |
| 489 | W | 37.9 | Very low | 33.6 | Very low | 223 Ų | 223 | 130.2 Ų | 130.2 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | | | cis | -167.2 | 164 | -15.2 | -102.3 | -24.5 | 0 | 0 | 0 | 105.6 | | |
| 490 | C | 35 | Very low | 33.5 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 64% | 0.642 | 71% | 0.706 | S | S | * | * | | | cis | -144.2 | 168.1 | 2.4 | -111.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 491 | S | 32.1 | Very low | 33.3 | Very low | 93 Ų | 93 | 130.7 Ų | 130.7 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | | | | 68.5 | 126.9 | 55.9 | -35.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 492 | T | 35.6 | Very low | 33.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | | | cis | -135 | 135.1 | 25.9 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 493 | N | 31.2 | Very low | 33.1 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 71% | 0.713 | S | S | * | * | | | | 68 | 144.2 | 91.4 | -50.1 | 0.2 | 0 | 0 | 0 | 114.5 | | |
| 494 | H | 34.7 | Very low | 32.8 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | | | cis | -154 | 141 | 29.7 | -119.6 | -68.4 | 0 | 0 | 0 | 113.8 | | |
| 495 | S | 33.7 | Very low | 32.9 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 58% | 0.58 | 72% | 0.724 | S | S | * | * | | | trans | 34 | 155.4 | 139.3 | 54.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 496 | N | 30.2 | Very low | 32.9 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | | | cis | -173.7 | 169.2 | -13.2 | -97.4 | -13.8 | 0 | 0 | 0 | 109.5 | | |
| 497 | N | 33.8 | Very low | 32.7 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | | | trans | 69.4 | 135.5 | 167.3 | -50.8 | -29 | 0 | 0 | 0 | 115.7 | | |
| 498 | L | 28 | Very low | 32.3 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | | | cis | 85.2 | 140.2 | 26.9 | -162.1 | 67.5 | 0 | 0 | 0 | 114.7 | | |
| 499 | F | 30.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 74% | 0.737 | 73% | 0.731 | S | S | * | * | | | trans | 91.2 | 104.2 | -179.4 | -67.6 | -81.8 | 0 | 0 | 0 | 118.5 | | |
| 500 | H | 29.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | | 52.3 | 148.8 | 121.3 | -89.8 | -93.3 | 0 | 0 | 0 | 123.6 | | |
| 501 | T | 27.8 | Very low | 31.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | | | trans | 77.2 | 124.4 | 151.1 | 40.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 502 | T | 29.1 | Very low | 31.2 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | 67.2 | 125.4 | 141.9 | 52.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 503 | N | 27.7 | Very low | 31 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | | | trans | -15.4 | 138.1 | 151.1 | -44.2 | -6.9 | 0 | 0 | 0 | 116.8 | | |
| 504 | N | 30.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | | | | 176.3 | 127.6 | 102.6 | -85.4 | -28.3 | 0 | 0 | 0 | 111.9 | | |
| 505 | D | 38.9 | Very low | 30.6 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 73% | 0.725 | S | S | * | * | | | trans | -63.4 | 156.3 | 148 | -62.3 | -61.8 | 0 | 0 | 0 | 108.8 | | |
| 506 | P | 36 | Very low | 30.3 | Very low | 96 Ų | 96 | 142 Ų | 142 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | | | | -160.8 | 175.6 | 101 | 39.4 | -19.1 | 0 | 0 | 0 | 118.2 | | |
| 507 | Y | 31 | Very low | 30.2 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 83% | 0.831 | 73% | 0.734 | S | S | * | * | | | trans | 66.6 | 124.4 | 162.6 | -57.8 | -60.5 | 0 | 0 | 0 | 118.5 | | |
| 508 | S | 30.3 | Very low | 30.1 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | | | cis | 79.8 | 131.6 | 10.1 | -153.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 509 | K | 30.7 | Very low | 30.3 | Very low | 172 Ų | 172 | 139 Ų | 139 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | | | trans | 68.5 | 114.1 | 168.7 | -66.5 | 177 | 179.1 | 177.6 | 0 | 120 | | |
| 510 | F | 30.1 | Very low | 30.3 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | | | | -169.8 | 106.6 | 115.6 | -111 | -83.7 | 0 | 0 | 0 | 105.5 | | |
| 511 | I | 27.7 | Very low | 30.5 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 58% | 0.579 | 71% | 0.71 | S | S | * | * | | | | 67.6 | 106.4 | 66.7 | -60 | -177 | 0 | 0 | 0 | 113.2 | | |
| 512 | Q | 27.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 65% | 0.65 | 71% | 0.708 | S | S | * | * | | | trans | 69.1 | 157 | 166.3 | -73.8 | 173 | -16.3 | 0 | 0 | 115.6 | F514 | Q512-F514 HydrophobicContact CB-CD2 4.43Å; Q512-F514 VanDerWaalsContact CD-CD2 3.45Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å |
| 513 | P | 32 | Very low | 30.5 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | | | cis | -84.7 | 166.1 | 33.4 | 40.3 | -41.7 | 0 | 0 | 0 | 113.5 | | |
| 514 | F | 25.8 | Very low | 30.4 | Very low | 155 Ų | 155 | 135 Ų | 135 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | | | cis | 68.9 | 162.8 | 28.2 | -96.5 | -66.6 | 0 | 0 | 0 | 115.8 | Q512 | Q512-F514 HydrophobicContact CB-CD2 4.43Å; Q512-F514 VanDerWaalsContact CD-CD2 3.45Å; Q512-F514 HydrophobicContact CG-CD2 4.14Å |
| 515 | T | 32 | Very low | 30.3 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | | | trans | 47.9 | 95.6 | 173.8 | 54.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 516 | D | 27.1 | Very low | 29.7 | Very low | 141 Ų | 141 | 133.4 Ų | 133.4 | 75% | 0.754 | 70% | 0.699 | S | S | * | * | | | | 83.9 | 148.9 | 74 | -76 | -46.4 | 0 | 0 | 0 | 112.3 | | |
| 517 | C | 27.8 | Very low | 29.4 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 74% | 0.736 | 71% | 0.712 | S | S | * | * | | | trans | 65.4 | 143.4 | -179.4 | -59.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 518 | N | 32 | Very low | 29.3 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | | | cis | -174.4 | 156.8 | -7.9 | -107.8 | -6.6 | 0 | 0 | 0 | 105.6 | | |
| 519 | L | 31.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 64% | 0.644 | 71% | 0.708 | S | S | * | * | | | cis | -167.3 | 145.9 | -2.8 | -173.2 | 69.7 | 0 | 0 | 0 | 107.3 | | |
| 520 | L | 31.7 | Very low | 29.2 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | | | trans | 59.2 | 147.5 | 154.1 | -91.8 | 44.7 | 0 | 0 | 0 | 119.7 | | |
| 521 | Q | 34.1 | Very low | 29.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 51% | 0.509 | 70% | 0.702 | S | S | . | * | | | cis | -149.8 | 132.6 | -16 | -160.7 | 58.2 | -24.3 | 0 | 0 | 113.3 | F523 | Q521-F523 HydrophobicContact CG-CD2 3.47Å; Q521-F523 VanDerWaalsContact CG-CD2 3.47Å; Q521-F523 HydrophobicContact CG-CE2 3.5Å; Q521-F523 VanDerWaalsContact CG-CE2 3.5Å; Q521-F523 HydrophobicContact CG-CG 4.12Å; Q521-F523 HydrophobicContact CG-CZ 4.15Å |
| 522 | S | 25.7 | Very low | 29.3 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | trans | -81.3 | 110 | 156.1 | 53.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 523 | F | 29.7 | Very low | 29.4 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | | | trans | -135 | 119.6 | 147.9 | -68.7 | -52.6 | 0 | 0 | 0 | 107.4 | Q521 | Q521-F523 HydrophobicContact CG-CD2 3.47Å; Q521-F523 VanDerWaalsContact CG-CD2 3.47Å; Q521-F523 HydrophobicContact CG-CE2 3.5Å; Q521-F523 VanDerWaalsContact CG-CE2 3.5Å; Q521-F523 HydrophobicContact CG-CG 4.12Å; Q521-F523 HydrophobicContact CG-CZ 4.15Å |
| 524 | N | 26.4 | Very low | 29.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 71% | 0.707 | S | S | * | * | | | | 76.5 | 150.8 | 57.5 | -87.4 | -19.1 | 0 | 0 | 0 | 114.3 | | |
| 525 | T | 28.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | | | trans | 64.6 | 124.7 | 158.4 | 41.3 | 0 | 0 | 0 | 0 | 117.8 | Y527 | T525-Y527 PolarHBondContact O-N 3.27Š|
| 526 | N | 26.6 | Very low | 29.7 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | trans | -37.5 | 132.3 | 147.1 | -42.6 | -30.2 | 0 | 0 | 0 | 110.3 | | |
| 527 | Y | 29.5 | Very low | 29.9 | Very low | 229 Ų | 229 | 142.4 Ų | 142.4 | 90% | 0.898 | 71% | 0.709 | S | S | * | * | | | | -164.5 | 159 | 124.4 | -97.1 | -63.1 | 0 | 0 | 0 | 109.3 | T525 | T525-Y527 PolarHBondContact O-N 3.27Š|
| 528 | E | 27.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | | | trans | -72.5 | 143.3 | 175.5 | -66.7 | 155.9 | 159.1 | 0 | 0 | 109.6 | K286 | K286-E528 IonicContact NZ-OE1 2.67Å; K286-E528 PolarHBondContact NZ-OE1 3.36Å |
| 529 | Y | 30.9 | Very low | 30 | Very low | 212 Ų | 212 | 144.9 Ų | 144.9 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | | | | -179 | 158.1 | 104.4 | -107.5 | -88 | 0 | 0 | 0 | 111.9 | | |
| 530 | E | 29.6 | Very low | 29.9 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | trans | -67.6 | 164 | 170.1 | -50.1 | -178.5 | 107.9 | 0 | 0 | 110.9 | | |
| 531 | Y | 29.5 | Very low | 29.8 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 74% | 0.737 | 73% | 0.727 | S | S | * | * | | | | -176.2 | 137.4 | 74 | -148.9 | -130.5 | 0 | 0 | 0 | 112.8 | | |
| 532 | I | 29.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 146.4 Ų | 146.4 | 58% | 0.579 | 75% | 0.745 | S | S | * | * | | | trans | 59.2 | 103.3 | 141.4 | -71.6 | -159.8 | 0 | 0 | 0 | 121.8 | | |
| 533 | K | 29.9 | Very low | 30 | Very low | 182 Ų | 182 | 146.4 Ų | 146.4 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | | 83.5 | 161.3 | 108.6 | -158 | 175.3 | -178.4 | 179.1 | 0 | 121.2 | | |
| 534 | S | 32 | Very low | 30 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | 87.5 | 121.6 | 175.2 | -28 | 0 | 0 | 0 | 0 | 114.4 | | |
| 535 | N | 30.1 | Very low | 30.4 | Very low | 135 Ų | 135 | 147 Ų | 147 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | | 76.4 | 128 | 58.9 | -80.2 | 61.1 | 0 | 0 | 0 | 111.5 | | |
| 536 | E | 33.6 | Very low | 30.6 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | | | cis | -144.2 | 149.9 | 7.2 | -57.3 | -156.5 | 150.4 | 0 | 0 | 111.7 | | |
| 537 | L | 31.3 | Very low | 30.7 | Very low | 127 Ų | 127 | 148.5 Ų | 148.5 | 67% | 0.665 | 74% | 0.738 | S | S | * | * | | | | 50.7 | 119.9 | 98.2 | -149.7 | 82.5 | 0 | 0 | 0 | 116.9 | | |
| 538 | C | 32.2 | Very low | 30.9 | Very low | 137 Ų | 137 | 144.4 Ų | 144.4 | 93% | 0.926 | 73% | 0.732 | S | S | * | * | | | trans | -155.1 | 121.4 | 154 | -97.1 | 0 | 0 | 0 | 0 | 110 | | |
| 539 | H | 29 | Very low | 31 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | -104.6 | 146.8 | 179.1 | -65.4 | -87.7 | 0 | 0 | 0 | 112 | | |
| 540 | S | 30.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | trans | -168.8 | 99.3 | 148.3 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 541 | T | 29.4 | Very low | 31.2 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | 57.5 | 106.1 | 68.4 | 71.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 542 | N | 31.9 | Very low | 31.3 | Very low | 168 Ų | 168 | 134.4 Ų | 134.4 | 90% | 0.898 | 73% | 0.733 | S | S | * | * | | | trans | -152.3 | 124.5 | 142.5 | -137.4 | -6.6 | 0 | 0 | 0 | 110.8 | | |
| 543 | P | 33 | Very low | 31.5 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | | | trans | -126.5 | -177.9 | -165.2 | 45.2 | -34.9 | 0 | 0 | 0 | 116.3 | | |
| 544 | F | 28.8 | Very low | 31.6 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 75% | 0.754 | 74% | 0.741 | S | S | * | * | | | trans | 60.1 | 116.6 | 155.2 | -78.3 | -68.3 | 0 | 0 | 0 | 120.8 | | |
| 545 | N | 34.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | | 164.5 | 123.6 | 109.6 | -84.1 | -51.1 | 0 | 0 | 0 | 108.9 | | |
| 546 | K | 32.2 | Very low | 31.7 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | | | | 90.4 | 126.2 | 60.6 | -99.6 | -172.1 | 170.3 | -178 | 0 | 113 | | |
| 547 | M | 30.3 | Very low | 31.7 | Very low | 147 Ų | 147 | 139.7 Ų | 139.7 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | trans | 65.9 | 151 | 154.7 | -77.6 | 130.7 | 164.6 | 0 | 0 | 116.9 | | |
| 548 | D | 33.4 | Very low | 31.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | cis | -144.5 | 167.5 | 3.8 | -115.1 | -34.7 | 0 | 0 | 0 | 113.1 | | |
| 549 | T | 29.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | -82.3 | 144.7 | 173.5 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 550 | T | 33 | Very low | 32.1 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | | | trans | -178.1 | 155.4 | 138.4 | 17.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 551 | T | 31.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 144 Ų | 144 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | 66.3 | 90.1 | 142.7 | -54.8 | 0 | 0 | 0 | 0 | 122 | | |
| 552 | T | 30.5 | Very low | 32.2 | Very low | 111 Ų | 111 | 148.3 Ų | 148.3 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | | | trans | 9 | 136.1 | 131.1 | 58.1 | 0 | 0 | 0 | 0 | 122.4 | | |
| 553 | H | 34.5 | Very low | 32.3 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | trans | -149.1 | 93.6 | 143 | -111.5 | -86.8 | 0 | 0 | 0 | 110 | | |
| 554 | I | 32.1 | Very low | 32.2 | Very low | 137 Ų | 137 | 150 Ų | 150 | 70% | 0.703 | 76% | 0.758 | S | S | * | * | | | | 52.9 | 111.4 | 99.1 | -57.4 | 175.1 | 0 | 0 | 0 | 114.9 | | |
| 555 | K | 33.9 | Very low | 32.3 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | | | trans | -149.3 | 95.9 | 148.8 | -154.7 | 168.3 | -170 | 173.1 | 0 | 110.6 | | |
| 556 | L | 30 | Very low | 32.1 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | | | trans | -128.1 | 127.2 | -175.1 | -105.1 | 168 | 0 | 0 | 0 | 111 | | |
| 557 | S | 34.2 | Very low | 32.2 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | | | trans | -173.5 | 146.6 | 157.9 | 56.3 | 0 | 0 | 0 | 0 | 108 | | |
| 558 | R | 33.6 | Very low | 32 | Very low | 243 Ų | 243 | 149 Ų | 149 | 92% | 0.917 | 77% | 0.766 | S | S | * | * | | | cis | -121.1 | 164 | 10.6 | -65.8 | 173 | 173.6 | 159.5 | -3.3 | 111.8 | | |
| 559 | I | 32.3 | Very low | 31.9 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 65% | 0.646 | 77% | 0.766 | S | S | * | * | | | trans | -132.8 | 145.4 | -178.2 | -67.4 | 171.5 | 0 | 0 | 0 | 109.5 | N561 | I559-N561 HydrophobicContact CG2-CB 4.49Å; I559-N561 WeakPolarHBondContact CG2-OD1 3.5Å |
| 560 | S | 34.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | -162.4 | 86.6 | 157.1 | 54.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 561 | N | 31 | Very low | 31.9 | Very low | 134 Ų | 134 | 151.2 Ų | 151.2 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | | | | 62.4 | 106.3 | 77.7 | -76 | 1.3 | 0 | 0 | 0 | 115.3 | I559 | I559-N561 HydrophobicContact CG2-CB 4.49Å; I559-N561 WeakPolarHBondContact CG2-OD1 3.5Å |
| 562 | Y | 32 | Very low | 32.1 | Very low | 207 Ų | 207 | 154.3 Ų | 154.3 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | | -153.6 | 106.4 | 122.8 | -109.3 | -88.7 | 0 | 0 | 0 | 104 | | |
| 563 | E | 33.5 | Very low | 32 | Very low | 148 Ų | 148 | 153.3 Ų | 153.3 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | | 61 | 143.9 | 101 | -69.7 | -166.1 | 157.3 | 0 | 0 | 114.8 | | |
| 564 | Q | 31 | Very low | 31.9 | Very low | 151 Ų | 151 | 150.5 Ų | 150.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | cis | 171.3 | 162.9 | -23.8 | -116.5 | -168.8 | 73.3 | 0 | 0 | 104.6 | | |
| 565 | L | 30.4 | Very low | 31.9 | Very low | 146 Ų | 146 | 150.5 Ų | 150.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | 67.9 | 151.6 | -180 | -33.5 | 178.1 | 0 | 0 | 0 | 113.4 | | |
| 566 | Y | 31.2 | Very low | 31.7 | Very low | 189 Ų | 189 | 147.8 Ų | 147.8 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | | | cis | -137.9 | 142.9 | 14.8 | -143.7 | -90.6 | 0 | 0 | 0 | 111.9 | | |
| 567 | N | 33.3 | Very low | 31.9 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | 52.3 | 110.3 | 165.4 | -72.2 | 5.1 | 0 | 0 | 0 | 123 | | |
| 568 | S | 27.3 | Very low | 31.4 | Very low | 117 Ų | 117 | 151.8 Ų | 151.8 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -77.7 | 144.7 | 141.7 | -44.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 569 | S | 31.5 | Very low | 31.4 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | trans | 155.4 | 137.5 | 164.2 | -81.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 570 | I | 33.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | cis | -144.9 | 151 | 8.2 | -102.3 | 149.5 | 0 | 0 | 0 | 108.9 | | |
| 571 | H | 29.5 | Very low | 31.3 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -100.2 | 152.7 | 165.1 | -111.1 | -91.4 | 0 | 0 | 0 | 109.3 | | |
| 572 | Q | 34.2 | Very low | 31.4 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | 107.6 | 146.5 | -176.3 | -64.9 | 163 | 37.4 | 0 | 0 | 112.2 | | |
| 573 | S | 28.5 | Very low | 31.5 | Very low | 91 Ų | 91 | 147.6 Ų | 147.6 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | | | cis | -168.5 | 168.5 | -15.7 | -97 | 0 | 0 | 0 | 0 | 110.3 | | |
| 574 | T | 31.9 | Very low | 31.4 | Very low | 120 Ų | 120 | 147 Ų | 147 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | 57.5 | 113.6 | 148.2 | 47 | 0 | 0 | 0 | 0 | 122.6 | | |
| 575 | T | 33.4 | Very low | 31.7 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | 73.4 | 146.4 | 130.5 | 56.8 | 0 | 0 | 0 | 0 | 123.9 | | |
| 576 | L | 29.2 | Very low | 32 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -58.5 | 168.7 | 169.1 | -64.4 | 170.6 | 0 | 0 | 0 | 113.2 | | |
| 577 | P | 34.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | | | cis | -149.1 | -170.3 | 30.5 | 44.9 | -23.6 | 0 | 0 | 0 | 119 | | |
| 578 | Y | 24.8 | Very low | 32.2 | Very low | 226 Ų | 226 | 144 Ų | 144 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | | | trans | -11.4 | 134.4 | 159.4 | -102.9 | -110.2 | 0 | 0 | 0 | 119.2 | | |
| 579 | S | 33 | Very low | 32.4 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | | -177.5 | 140.7 | 111.8 | 56.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 580 | Q | 30.6 | Very low | 32.6 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | 11.3 | 128.9 | 155.6 | -65.2 | 159.5 | -77.7 | 0 | 0 | 121.5 | | |
| 581 | F | 34.1 | Very low | 32.6 | Very low | 214 Ų | 214 | 147.8 Ų | 147.8 | 94% | 0.939 | 78% | 0.779 | S | S | * | * | | | trans | -137.6 | 130 | 132.9 | -108.1 | -85 | 0 | 0 | 0 | 109.3 | | |
| 582 | N | 31.7 | Very low | 32.6 | Very low | 118 Ų | 118 | 146 Ų | 146 | 63% | 0.631 | 77% | 0.774 | S | S | * | * | | | trans | -92 | 153.1 | 176.4 | -68.7 | -3 | 0 | 0 | 0 | 110.6 | | |
| 583 | N | 34.5 | Very low | 32.5 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.769 | S | S | * | * | | | | 174.1 | 104.5 | 113.2 | -84.4 | -3.6 | 0 | 0 | 0 | 111.3 | | |
| 584 | D | 32.4 | Very low | 32.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | 37 | 114.7 | 137.7 | -47.1 | -26.3 | 0 | 0 | 0 | 120.6 | | |
| 585 | N | 36.8 | Very low | 32.5 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | | | | -161.6 | 91.8 | 122.1 | -104.4 | -58.7 | 0 | 0 | 0 | 113.3 | | |
| 586 | H | 36 | Very low | 32.4 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 75% | 0.745 | 77% | 0.766 | S | S | * | * | | | trans | 27.1 | 138.6 | 142.9 | -137.1 | -133.4 | 0 | 0 | 0 | 123.3 | | |
| 587 | L | 35.2 | Very low | 32.5 | Very low | 150 Ų | 150 | 142.8 Ų | 142.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 75.1 | 144.1 | 163.2 | -60.9 | 142.4 | 0 | 0 | 0 | 119.3 | | |
| 588 | S | 33.8 | Very low | 32.4 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 58% | 0.58 | 76% | 0.759 | S | S | * | * | | | cis | -175.5 | 108.2 | -27.9 | 160.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 589 | Y | 32.5 | Very low | 32.8 | Very low | 239 Ų | 239 | 140 Ų | 140 | 94% | 0.937 | 75% | 0.75 | S | S | * | * | | | trans | 56.6 | 159.5 | 162.5 | -69.3 | -101.6 | 0 | 0 | 0 | 117.4 | | |
| 590 | G | 35.7 | Very low | 32.7 | Very low | 68 Ų | 68 | 140.4 Ų | 140.4 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -162 | 149.5 | -6.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 591 | N | 32.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -83.2 | 164.6 | -170.1 | -84.9 | -33.1 | 0 | 0 | 0 | 114.5 | | |
| 592 | L | 30.9 | Very low | 32.5 | Very low | 142 Ų | 142 | 134.7 Ų | 134.7 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | | | trans | -2.6 | 148.3 | 150 | -55.8 | 85.2 | 0 | 0 | 0 | 116.9 | | |
| 593 | L | 30.7 | Very low | 32.4 | Very low | 137 Ų | 137 | 136.7 Ų | 136.7 | 72% | 0.717 | 75% | 0.75 | S | S | * | * | | | | -178.1 | 145.5 | 58.5 | -162.9 | 73.6 | 0 | 0 | 0 | 112.4 | | |
| 594 | T | 30.4 | Very low | 32.3 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | trans | 52.9 | 146.9 | 150.4 | 48 | 0 | 0 | 0 | 0 | 125.4 | | |
| 595 | T | 29.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | | | trans | 63.3 | 108.2 | 147.2 | 47.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 596 | N | 32.3 | Very low | 32.2 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | | -177.7 | 118.3 | 113.1 | -83.5 | -23.2 | 0 | 0 | 0 | 107.9 | | |
| 597 | T | 30.1 | Very low | 31.9 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.693 | 71% | 0.707 | S | S | * | * | | | | 39.7 | 107.3 | 89 | 55.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 598 | M | 33.6 | Very low | 31.8 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 77% | 0.768 | 70% | 0.698 | S | S | * | * | | | | 177.2 | 127.1 | 116.8 | -89.3 | -54.1 | 172.2 | 0 | 0 | 113.1 | | |
| 599 | N | 31.7 | Very low | 31.6 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | | | trans | 59.5 | 149.8 | 139.9 | -57.1 | -15.1 | 0 | 0 | 0 | 125 | | |
| 600 | S | 31.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | | | trans | 68.2 | 117.2 | 159.7 | 19.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 601 | S | 28.6 | Very low | 31.5 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | | | cis | 105.6 | 140.6 | 15 | -58.6 | 0 | 0 | 0 | 0 | 115 | | |
| 602 | I | 32.6 | Very low | 31.4 | Very low | 147 Ų | 147 | 122.9 Ų | 122.9 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | | | trans | 71.6 | 103.2 | 162.4 | -62 | 152.2 | 0 | 0 | 0 | 114.6 | | |
| 603 | E | 29.5 | Very low | 31.6 | Very low | 160 Ų | 160 | 122.8 Ų | 122.8 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | | | | 90.4 | 155 | 67.6 | -78 | 171.5 | 87.6 | 0 | 0 | 114.2 | | |
| 604 | L | 31.8 | Very low | 31.6 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | | | cis | -153.5 | -158.8 | 13.8 | -134.4 | 171.1 | 0 | 0 | 0 | 112.1 | | |
| 605 | N | 30 | Very low | 31.7 | Very low | 131 Ų | 131 | 125.6 Ų | 125.6 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | | | trans | -122.6 | -149 | 167.1 | -65.8 | -91.2 | 0 | 0 | 0 | 108.3 | | |
| 606 | P | 36.7 | Very low | 31.8 | Very low | 64 Ų | 64 | 124.7 Ų | 124.7 | 42% | 0.416 | 68% | 0.678 | S | S | . | * | | | cis | -138.2 | -161.8 | -22 | 30 | -4.1 | 0 | 0 | 0 | 114.3 | I34 | I34-P606 WeakPolarHBondContact CA-O 3.47Å; I34-P606 PolarHBondContact N-O 3.12Å |
| 607 | I | 30.7 | Very low | 31.8 | Very low | 74 Ų | 74 | 125.5 Ų | 125.5 | 38% | 0.379 | 68% | 0.679 | S | S | . | * | | | trans | 146 | 156.6 | 136.9 | -74.1 | 167.7 | 0 | 0 | 0 | 116.9 | T33 I34 K35 | T33-I607 HydrophobicContact CG2-CD1 4.32Å; I34-I607 HydrophobicContact CG1-CB 4.08Å; I34-I607 HydrophobicContact CG1-CG2 4.05Å; I34-I607 WeakPolarHBondContact CG2-O 3.39Å; K35-I607 WeakPolarHBondContact CB-O 3.38Å; K35-I607 WeakPolarHBondContact CD-O 3.25Å; K35-I607 WeakPolarHBondContact CG-O 2.96Å; K35-I607 PolarHBondContact N-O 3.09Å |
| 608 | Q | 32.2 | Very low | 31.9 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 60% | 0.603 | 68% | 0.675 | S | S | * | * | | | trans | -64.8 | -177.4 | -167.9 | -77.7 | 136.6 | -75.8 | 0 | 0 | 118.3 | | |
| 609 | S | 30.7 | Very low | 31.9 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | | | cis | -128.2 | -140.5 | 12.9 | 49.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 610 | S | 33 | Very low | 31.9 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 68% | 0.683 | S | S | * | * | | | cis | -172.3 | 165.1 | -7.3 | 20.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 611 | N | 33.4 | Very low | 31.9 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 65% | 0.647 | 68% | 0.683 | S | S | * | * | | | cis | -167.3 | 153 | -19.6 | -109.4 | 44 | 0 | 0 | 0 | 109.2 | | |
| 612 | E | 30 | Very low | 32.4 | Very low | 154 Ų | 154 | 133.3 Ų | 133.3 | 72% | 0.72 | 69% | 0.69 | S | S | * | * | | | trans | 56.9 | 151.8 | 153.5 | -69.3 | 153.4 | 137.6 | 0 | 0 | 119.5 | | |
| 613 | D | 35.1 | Very low | 32.5 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | | | cis | -139.5 | -176.8 | 25.4 | -82.8 | -49.7 | 0 | 0 | 0 | 112.5 | | |
| 614 | Q | 31.1 | Very low | 32.9 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 51% | 0.514 | 69% | 0.685 | S | S | . | * | | | cis | -173.2 | 148.6 | -46.7 | -160.2 | 169.7 | 85.1 | 0 | 0 | 109.4 | | |
| 615 | Y | 31.9 | Very low | 32.9 | Very low | 195 Ų | 195 | 134.1 Ų | 134.1 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | 65.2 | 151.6 | 177 | -54.5 | -64 | 0 | 0 | 0 | 116.8 | | |
| 616 | S | 32 | Very low | 33 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | | | cis | -170.2 | 169.8 | -4.9 | -109.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 617 | M | 32.8 | Very low | 32.8 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 80% | 0.798 | 71% | 0.706 | S | S | * | * | | | cis | -157.2 | -163.4 | 0.6 | -135.3 | -138.5 | -164.1 | 0 | 0 | 113.2 | | |
| 618 | N | 30.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | | | trans | -57.7 | 168.1 | 168 | -67.2 | -66.3 | 0 | 0 | 0 | 115.9 | | |
| 619 | K | 34.8 | Very low | 32.9 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 74% | 0.737 | S | S | * | * | | | cis | -160.2 | 162.4 | 3.7 | -117.6 | 161.3 | -172 | 177.3 | 0 | 106.8 | | |
| 620 | S | 31.6 | Very low | 33 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | | -176.3 | -175.1 | 60.8 | -162.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 621 | M | 31.5 | Very low | 33.1 | Very low | 157 Ų | 157 | 146.4 Ų | 146.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | | | trans | -111.3 | 145.6 | -160.7 | -59.8 | 158.5 | 61.6 | 0 | 0 | 117.1 | | |
| 622 | K | 38.2 | Very low | 33 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -175.2 | 105.4 | 140.8 | -102.2 | 165.8 | -177.4 | -180 | 0 | 107.7 | | |
| 623 | V | 34.9 | Very low | 33.3 | Very low | 100 Ų | 100 | 148.5 Ų | 148.5 | 61% | 0.606 | 77% | 0.771 | S | S | * | * | | | | 70.4 | 100.8 | 62.7 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 624 | D | 37.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | -162.2 | 160.6 | 118 | -105.4 | -31 | 0 | 0 | 0 | 114.1 | | |
| 625 | Y | 33.6 | Very low | 33.1 | Very low | 212 Ų | 212 | 154.6 Ų | 154.6 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -64.9 | 174.3 | -167.4 | -71.7 | -106.3 | 0 | 0 | 0 | 117 | | |
| 626 | A | 31.7 | Very low | 33 | Very low | 81 Ų | 81 | 152.8 Ų | 152.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | cis | 179.9 | 125.4 | -35.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 627 | V | 32.7 | Very low | 33 | Very low | 128 Ų | 128 | 153.6 Ų | 153.6 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | trans | -144.6 | 147.9 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 628 | H | 32.4 | Very low | 32.9 | Very low | 176 Ų | 176 | 151.4 Ų | 151.4 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | | | trans | 83 | 80.5 | -178.9 | -55.1 | -72.4 | 0 | 0 | 0 | 117.6 | | |
| 629 | S | 32.5 | Very low | 33.1 | Very low | 117 Ų | 117 | 153.4 Ų | 153.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -171.9 | 167.8 | 133.7 | -84.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 630 | L | 31.4 | Very low | 32.9 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | 69.3 | 77.6 | 170.7 | -60.6 | 168.5 | 0 | 0 | 0 | 117.8 | | |
| 631 | M | 35.7 | Very low | 33.1 | Very low | 194 Ų | 194 | 151.8 Ų | 151.8 | 96% | 0.956 | 80% | 0.797 | S | S | * | * | | | trans | -140.1 | 37.6 | 143.3 | -82.3 | -156.5 | 168.2 | 0 | 0 | 112.3 | | |
| 632 | D | 32.1 | Very low | 33 | Very low | 157 Ų | 157 | 150.3 Ų | 150.3 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -117.3 | 77.5 | 170.6 | -79.6 | -54.5 | 0 | 0 | 0 | 110.2 | | |
| 633 | L | 36.3 | Very low | 33 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -149.9 | 98.5 | 162.4 | -81.9 | -172.9 | 0 | 0 | 0 | 110.4 | | |
| 634 | N | 30.7 | Very low | 32.8 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | | | trans | -83.4 | 119.6 | 144.4 | -72.1 | -40.6 | 0 | 0 | 0 | 106.8 | | |
| 635 | Y | 31.7 | Very low | 32.8 | Very low | 217 Ų | 217 | 149.1 Ų | 149.1 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -174.1 | 138.9 | 141.5 | -124.6 | -88.5 | 0 | 0 | 0 | 111 | | |
| 636 | E | 29.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 80% | 0.798 | S | S | * | * | | | trans | -63.9 | 139.4 | 171.5 | -79.8 | 85.1 | 157.4 | 0 | 0 | 113 | | |
| 637 | S | 32.4 | Very low | 33 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | -147.7 | 125.1 | 135.5 | 52.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 638 | V | 30.5 | Very low | 33.2 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | | | trans | -98.8 | 125.4 | 171.9 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 639 | I | 33.7 | Very low | 33 | Very low | 158 Ų | 158 | 151 Ų | 151 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -131.9 | 121.5 | 161.1 | -61.3 | -176.7 | 0 | 0 | 0 | 107.6 | | |
| 640 | H | 30.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 155.9 Ų | 155.9 | 70% | 0.704 | 80% | 0.804 | S | S | * | * | | | trans | -84 | 140.2 | 169.9 | -76.5 | -106 | 0 | 0 | 0 | 110.2 | | |
| 641 | S | 36.6 | Very low | 33 | Very low | 118 Ų | 118 | 153.9 Ų | 153.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -130.5 | 114.6 | 148.5 | -67.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 642 | N | 29.3 | Very low | 32.8 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 150.5 | 170.8 | -62.7 | -26.7 | 0 | 0 | 0 | 109.2 | | |
| 643 | D | 37 | Very low | 32.8 | Very low | 166 Ų | 166 | 154 Ų | 154 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -153.6 | 152.3 | 132.3 | -114.8 | -33.2 | 0 | 0 | 0 | 111.5 | | |
| 644 | N | 30.5 | Very low | 32.5 | Very low | 147 Ų | 147 | 157.1 Ų | 157.1 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | | | trans | -116.4 | 112.1 | -163.6 | -71.4 | -74.2 | 0 | 0 | 0 | 114.3 | | |
| 645 | S | 37.5 | Very low | 32.7 | Very low | 114 Ų | 114 | 155.3 Ų | 155.3 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -155 | 122.9 | 143.4 | 49 | 0 | 0 | 0 | 0 | 108.5 | | |
| 646 | K | 35.4 | Very low | 32.7 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | | 65.3 | 116.4 | 61.5 | -77.9 | -158.8 | 164.3 | -157.4 | 0 | 114.4 | | |
| 647 | D | 34.2 | Very low | 33 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | | | trans | 58.8 | 119 | 141.1 | -43.7 | -26.7 | 0 | 0 | 0 | 115.9 | | |
| 648 | Q | 36.5 | Very low | 33.1 | Very low | 179 Ų | 179 | 158.1 Ų | 158.1 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | | | cis | -166.8 | 168.2 | 47.1 | -122.9 | 158.6 | 28.6 | 0 | 0 | 112.8 | | |
| 649 | D | 30.3 | Very low | 33.2 | Very low | 152 Ų | 152 | 159 Ų | 159 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | | | trans | -60 | 131.7 | 173.7 | -75.8 | -67.9 | 0 | 0 | 0 | 114 | | |
| 650 | Y | 33.9 | Very low | 33.3 | Very low | 218 Ų | 218 | 160 Ų | 160 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -139.8 | 122.2 | 148.9 | -91.8 | -73.8 | 0 | 0 | 0 | 112.8 | L652 | Y650-L652 PolarHBondContact O-N 3.34Š|
| 651 | S | 28.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 160.5 Ų | 160.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -66.8 | 119.9 | 178.3 | 179.9 | 0 | 0 | 0 | 0 | 112 | | |
| 652 | L | 31.8 | Very low | 33.5 | Very low | 172 Ų | 172 | 160.1 Ų | 160.1 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | -129.5 | 136.4 | 165.6 | -101.6 | 168.1 | 0 | 0 | 0 | 111.2 | Y650 | Y650-L652 PolarHBondContact O-N 3.34Š|
| 653 | K | 33.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 162.3 Ų | 162.3 | 79% | 0.787 | 81% | 0.807 | S | S | * | * | | | trans | -82.2 | 149.3 | -160.8 | -64.4 | 170.8 | -177.9 | 171.4 | 0 | 112.6 | T655 | K653-T655 PolarHBondContact O-N 3.38Š|
| 654 | Y | 28.8 | Very low | 33.6 | Very low | 228 Ų | 228 | 159.7 Ų | 159.7 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | | | trans | -46.5 | 129.3 | 160.9 | -89.3 | -100 | 0 | 0 | 0 | 111.2 | | |
| 655 | T | 34.6 | Very low | 33.5 | Very low | 123 Ų | 123 | 157.8 Ų | 157.8 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -118.5 | 90.6 | 165.7 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | K653 K657 | K653-T655 PolarHBondContact O-N 3.38Å; T655-K657 PolarHBondContact O-N 3.45Å; T655-K657 VanDerWaalsContact O-N 3.12Å |
| 656 | N | 32.7 | Very low | 33.5 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -62.4 | 112.3 | 160.1 | -90.9 | -11.3 | 0 | 0 | 0 | 107.7 | | |
| 657 | K | 35.8 | Very low | 33.2 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 74% | 0.739 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -71 | 148.1 | 159.2 | -68.3 | -178 | 178.4 | 179.5 | 0 | 108.2 | T655 | T655-K657 PolarHBondContact O-N 3.45Å; T655-K657 VanDerWaalsContact O-N 3.12Å |
| 658 | Y | 33.8 | Very low | 33.2 | Very low | 225 Ų | 225 | 157.1 Ų | 157.1 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | S | Bend | trans | 70.7 | 66.4 | -176.8 | -45.5 | -73.9 | 0 | 0 | 0 | 115.9 | | |
| 659 | D | 33 | Very low | 32.9 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -150.3 | 145 | 139.3 | -143 | -17.3 | 0 | 0 | 0 | 112.1 | | |
| 660 | K | 36.4 | Very low | 33.1 | Very low | 180 Ų | 180 | 155.2 Ų | 155.2 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | 56.7 | 107 | 170.1 | -52.2 | -175.7 | -174.9 | -179.4 | 0 | 119.8 | | |
| 661 | I | 36.2 | Very low | 33 | Very low | 161 Ų | 161 | 150.6 Ų | 150.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -97.3 | 131.2 | 140.1 | -64 | 175.8 | 0 | 0 | 0 | 107 | | |
| 662 | P | 35.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 151.8 Ų | 151.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | trans | -79.2 | 137.4 | 178.3 | 31.7 | -33.6 | 0 | 0 | 0 | 111.7 | | |
| 663 | I | 32.5 | Very low | 33.4 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -96.9 | 102.8 | 170.3 | -51.9 | 174.5 | 0 | 0 | 0 | 107.8 | | |
| 664 | S | 35 | Very low | 33.6 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | trans | -100.8 | 113.9 | 176.2 | 54 | 0 | 0 | 0 | 0 | 111 | | |
| 665 | S | 29.2 | Very low | 34 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | trans | -102.7 | 115.7 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 666 | T | 38 | Very low | 34 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -145.3 | 136.3 | 166.7 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 667 | N | 28.9 | Very low | 34.2 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | trans | -95.5 | 134.5 | -174.1 | -56.6 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 668 | S | 33 | Very low | 34.2 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -172.5 | 106.2 | 146.1 | 52.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 669 | T | 29.9 | Very low | 34.3 | Very low | 126 Ų | 126 | 142 Ų | 142 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | | 65.5 | 137.1 | 75.1 | -42.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 670 | I | 34.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | 84 | 137.4 | 175.3 | -50.5 | 178.6 | 0 | 0 | 0 | 115 | | |
| 671 | D | 32.4 | Very low | 34.2 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 65% | 0.647 | 75% | 0.754 | S | S | * | * | | | cis | -171.2 | 172.6 | -31.4 | -168.6 | 15.2 | 0 | 0 | 0 | 108.5 | | |
| 672 | Q | 36.5 | Very low | 34.4 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | | | trans | 79.8 | 96.2 | 152.9 | -50.3 | -147.4 | 0.1 | 0 | 0 | 122.4 | | |
| 673 | F | 33.1 | Very low | 34.3 | Very low | 164 Ų | 164 | 141 Ų | 141 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | | | | 77.6 | 148.3 | 115.4 | -80.6 | -71.4 | 0 | 0 | 0 | 123.6 | | |
| 674 | N | 35.9 | Very low | 34.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 68% | 0.684 | 74% | 0.743 | S | S | * | * | | | trans | 81.7 | 139.5 | 148.7 | -68.4 | -19.2 | 0 | 0 | 0 | 120.6 | | |
| 675 | I | 38 | Very low | 34.2 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 63% | 0.631 | 75% | 0.747 | S | S | * | * | | | cis | -166.5 | 141.1 | -22.6 | -133 | 178 | 0 | 0 | 0 | 110.8 | | |
| 676 | R | 33.5 | Very low | 34.4 | Very low | 207 Ų | 207 | 141.4 Ų | 141.4 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | 63 | 159 | 157.8 | -63.8 | 175.7 | 176.7 | -174.7 | -0.1 | 118 | | |
| 677 | K | 38.4 | Very low | 34.3 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | cis | -162.7 | 157 | -14.3 | -113.6 | 177 | 156.9 | -71.6 | 0 | 112.5 | | |
| 678 | D | 34.8 | Very low | 34.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 60% | 0.599 | 74% | 0.743 | S | S | * | * | | | trans | 47.6 | 115.3 | 144.9 | -45.5 | -21.6 | 0 | 0 | 0 | 123.8 | | |
| 679 | L | 35.3 | Very low | 34.6 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | | | | 36.2 | 163.6 | 118.3 | -89.2 | 69.2 | 0 | 0 | 0 | 123.2 | | |
| 680 | P | 37.3 | Very low | 34.9 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | cis | -137.7 | -169.2 | -15.7 | 37.9 | -16.9 | 0 | 0 | 0 | 115.3 | | |
| 681 | Y | 31.7 | Very low | 34.7 | Very low | 216 Ų | 216 | 148.7 Ų | 148.7 | 85% | 0.847 | 75% | 0.747 | S | S | * | * | | | trans | -68.3 | 159.8 | 172.8 | -89 | -92.4 | 0 | 0 | 0 | 115.8 | | |
| 682 | P | 39.8 | Very low | 34.9 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -126 | 178.6 | 134.1 | 38.3 | -30 | 0 | 0 | 0 | 113.9 | | |
| 683 | T | 33.8 | Very low | 34.6 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | -128.6 | 170.2 | -165.8 | 46.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 684 | N | 34.3 | Very low | 34.4 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | | | trans | 86.8 | 115.1 | 160.6 | -73.2 | -50.9 | 0 | 0 | 0 | 121.4 | | |
| 685 | K | 30.7 | Very low | 34.2 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | | 35.9 | 130.1 | 122.2 | -57.8 | -179 | 178.6 | -174.7 | 0 | 119.9 | | |
| 686 | G | 32.9 | Very low | 33.9 | Very low | 68 Ų | 68 | 150 Ų | 150 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | 167.5 | 54.8 | 162 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 687 | D | 35.2 | Very low | 33.7 | Very low | 143 Ų | 143 | 147.4 Ų | 147.4 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | 42.7 | 156.1 | 152.6 | -51.6 | -26.2 | 0 | 0 | 0 | 124.1 | | |
| 688 | Y | 32.2 | Very low | 33.3 | Very low | 225 Ų | 225 | 147.4 Ų | 147.4 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | | | trans | 83.4 | 144.8 | 171.5 | -64.1 | -83.2 | 0 | 0 | 0 | 119 | | |
| 689 | P | 37 | Very low | 33.1 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -122.7 | 168.2 | -156.9 | 42.6 | -28.9 | 0 | 0 | 0 | 114.8 | | |
| 690 | E | 34.8 | Very low | 32.9 | Very low | 192 Ų | 192 | 149.6 Ų | 149.6 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | | -158.6 | 171.9 | 121.2 | -120.3 | 174.2 | -169.4 | 0 | 0 | 112 | | |
| 691 | E | 31.5 | Very low | 32.5 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -66.5 | 138.7 | -156.5 | -54.3 | -174.9 | 142.7 | 0 | 0 | 115.4 | | |
| 692 | N | 35.5 | Very low | 32.5 | Very low | 165 Ų | 165 | 151 Ų | 151 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | | | trans | -147.5 | 148 | 147 | -107.8 | -71.5 | 0 | 0 | 0 | 111.1 | | |
| 693 | T | 30.4 | Very low | 32.1 | Very low | 130 Ų | 130 | 151.8 Ų | 151.8 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | trans | -90.4 | 168.5 | -159.5 | 65.6 | 0 | 0 | 0 | 0 | 114.8 | | |
| 694 | S | 28.8 | Very low | 31.9 | Very low | 104 Ų | 104 | 153.9 Ų | 153.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 72.1 | 81.1 | 161.6 | -178.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 695 | T | 32.7 | Very low | 31.7 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | | -175.8 | 126.6 | 113.7 | 22.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 696 | L | 30.9 | Very low | 31.6 | Very low | 173 Ų | 173 | 151.6 Ų | 151.6 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -129.3 | 91.3 | 175.7 | -160.8 | 162.7 | 0 | 0 | 0 | 106.3 | | |
| 697 | L | 30.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | | 90.6 | 138.1 | 50.8 | -159.1 | 130.6 | 0 | 0 | 0 | 111.9 | | |
| 698 | H | 30.1 | Very low | 31.4 | Very low | 147 Ų | 147 | 155.3 Ų | 155.3 | 68% | 0.681 | 80% | 0.803 | S | S | * | * | | | trans | -86.5 | 163.7 | -166.7 | -162.3 | -107.3 | 0 | 0 | 0 | 111.5 | | |
| 699 | H | 30.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 69.7 | 125.3 | -175 | -48.6 | -90.5 | 0 | 0 | 0 | 113.4 | | |
| 700 | L | 30.4 | Very low | 30.9 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | | | | -148.5 | 123.3 | 56.2 | -82.3 | 155.8 | 0 | 0 | 0 | 111.8 | | |
| 701 | W | 29.3 | Very low | 30.8 | Very low | 261 Ų | 261 | 155.1 Ų | 155.1 | 99% | 0.989 | 80% | 0.804 | S | S | * | * | | | trans | -100.4 | 111.4 | 163.1 | -94.4 | -32.5 | 0 | 0 | 0 | 109 | | |
| 702 | S | 31.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | | | trans | -173.3 | 136.4 | 139.4 | -122.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 703 | D | 30.2 | Very low | 30.3 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | 50 | 102.9 | 144.9 | -42 | -40.3 | 0 | 0 | 0 | 119.3 | | |
| 704 | N | 30.7 | Very low | 30.2 | Very low | 163 Ų | 163 | 149 Ų | 149 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | | -157.8 | 163.9 | 102.1 | -107.6 | -75.8 | 0 | 0 | 0 | 112.9 | | |
| 705 | E | 30 | Very low | 30.2 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | | | trans | -84.9 | 145.7 | -165.3 | -54.4 | 179.2 | 121.7 | 0 | 0 | 113.9 | | |
| 706 | S | 28.8 | Very low | 30.1 | Very low | 102 Ų | 102 | 153.6 Ų | 153.6 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | | 152.9 | 153.7 | 114.3 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 707 | I | 30.8 | Very low | 30.1 | Very low | 145 Ų | 145 | 156.6 Ų | 156.6 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | | | trans | 73.4 | 148.9 | 165.1 | -59.1 | 157.9 | 0 | 0 | 0 | 116.3 | | |
| 708 | N | 31.8 | Very low | 30.5 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | | | trans | 68.5 | 90.8 | -176.8 | -57.1 | -43.4 | 0 | 0 | 0 | 115.1 | | |
| 709 | Q | 29.1 | Very low | 30.5 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | cis | 77.4 | 71.3 | 40.3 | -156.3 | -177.6 | 0.5 | 0 | 0 | 115.4 | | |
| 710 | Y | 31 | Very low | 30.5 | Very low | 227 Ų | 227 | 155.7 Ų | 155.7 | 89% | 0.89 | 81% | 0.808 | S | S | * | * | | | trans | -146 | 129.4 | 154.9 | -94.7 | -76.9 | 0 | 0 | 0 | 111.1 | | |
| 711 | P | 32.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 153.6 Ų | 153.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -87.5 | 137.5 | -174.5 | 33.1 | -34.1 | 0 | 0 | 0 | 113.4 | | |
| 712 | C | 26.1 | Very low | 30.6 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | | | trans | -126.6 | 66.9 | 173.2 | -164.8 | 0 | 0 | 0 | 0 | 112 | | |
| 713 | C | 30.1 | Very low | 30.6 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | -122.7 | 125.3 | 162.1 | -71.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 714 | S | 27.9 | Very low | 30.8 | Very low | 97 Ų | 97 | 148.1 Ų | 148.1 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | | 57.2 | 116 | 67.1 | -168 | 0 | 0 | 0 | 0 | 112.5 | | |
| 715 | T | 28.2 | Very low | 31 | Very low | 114 Ų | 114 | 147.8 Ų | 147.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | 46.9 | 107.7 | 157.6 | 51.7 | 0 | 0 | 0 | 0 | 118 | | |
| 716 | Y | 32 | Very low | 30.9 | Very low | 219 Ų | 219 | 144.7 Ų | 144.7 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | | -153.1 | 129.9 | 116.5 | -101.3 | -67.6 | 0 | 0 | 0 | 110.6 | | |
| 717 | Y | 30.7 | Very low | 31.1 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | | | trans | -106.3 | 103 | 175 | -148 | -95 | 0 | 0 | 0 | 107 | | |
| 718 | L | 38.1 | Very low | 31.2 | Very low | 156 Ų | 156 | 148 Ų | 148 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -122.5 | 143.6 | 172.8 | -67.1 | 170.9 | 0 | 0 | 0 | 107.4 | | |
| 719 | G | 28.9 | Very low | 31.1 | Very low | 61 Ų | 61 | 145.8 Ų | 145.8 | 63% | 0.629 | 80% | 0.804 | S | S | * | * | | | cis | 172.4 | 33.2 | 1.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 720 | F | 32.5 | Very low | 31.4 | Very low | 215 Ų | 215 | 146.1 Ų | 146.1 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | | | trans | -108.9 | 94.2 | 178.4 | -80.2 | -77.3 | 0 | 0 | 0 | 110.5 | | |
| 721 | C | 28 | Very low | 31.6 | Very low | 127 Ų | 127 | 144.1 Ų | 144.1 | 86% | 0.858 | 80% | 0.8 | S | S | * | * | | | trans | -90 | 108.6 | 165.7 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 722 | S | 32.9 | Very low | 31.5 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | | | trans | -91.2 | 125.1 | 148.1 | -71.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 723 | T | 31.9 | Very low | 31.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | -67.9 | 136.1 | 176.8 | 49.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 724 | N | 34.9 | Very low | 31.8 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | | -173.4 | 157.9 | 113.4 | -86.1 | -2 | 0 | 0 | 0 | 110.9 | | |
| 725 | D | 34 | Very low | 32 | Very low | 156 Ų | 156 | 144.9 Ų | 144.9 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | 56.8 | 77.6 | 160.4 | -51 | -24.7 | 0 | 0 | 0 | 118.3 | | |
| 726 | C | 28.1 | Very low | 32.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -88.5 | 127 | 152.8 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 727 | F | 34.1 | Very low | 32.3 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | | | trans | -163.4 | 137.9 | 132 | -109.8 | -65.9 | 0 | 0 | 0 | 114.6 | | |
| 728 | S | 32.4 | Very low | 32.3 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 51.5 | 125.3 | 153.7 | -139.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 729 | S | 29.3 | Very low | 32 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | | | trans | -115.2 | 136.2 | 156.4 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 730 | K | 36.3 | Very low | 32.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 153.8 | 140.2 | 137.1 | -89.7 | 165.3 | -174.2 | 175.9 | 0 | 113.4 | | |
| 731 | F | 33.7 | Very low | 32.3 | Very low | 185 Ų | 185 | 143 Ų | 143 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 64.9 | 148.6 | 156.1 | -80.8 | -123 | 0 | 0 | 0 | 115.4 | | |
| 732 | T | 31.1 | Very low | 32.7 | Very low | 94 Ų | 94 | 143 Ų | 143 | 58% | 0.577 | 77% | 0.774 | S | S | * | * | | | cis | -156.5 | 162.8 | -22.2 | 6.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 733 | D | 31 | Very low | 32.7 | Very low | 139 Ų | 139 | 144.3 Ų | 144.3 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 53.6 | 114.5 | 152.3 | -53.4 | -25.2 | 0 | 0 | 0 | 120.9 | | |
| 734 | S | 31.9 | Very low | 32.8 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | | 59 | 125.9 | 120.2 | -54.6 | 0 | 0 | 0 | 0 | 122.2 | | |
| 735 | L | 32 | Very low | 32.8 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | 87.7 | 133.7 | 152.2 | -64.7 | 169 | 0 | 0 | 0 | 119.9 | | |
| 736 | Q | 34.2 | Very low | 32.8 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 63.7 | 116.1 | 158.2 | -67 | 158.5 | -95.3 | 0 | 0 | 117.6 | | |
| 737 | Y | 32.2 | Very low | 33 | Very low | 205 Ų | 205 | 152.2 Ų | 152.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | | 96.3 | 118.4 | 61.4 | -129.9 | -95.3 | 0 | 0 | 0 | 110.5 | | |
| 738 | D | 30.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 149.2 Ų | 149.2 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | | | trans | 38.6 | 118.8 | 164.7 | -58.6 | -5.1 | 0 | 0 | 0 | 120.3 | | |
| 739 | N | 33.2 | Very low | 32.9 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 91% | 0.914 | 78% | 0.775 | S | S | * | * | | | | -139.6 | 133.5 | 115.9 | -99.9 | -83.1 | 0 | 0 | 0 | 109 | | |
| 740 | T | 32.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | -93.1 | 160.1 | 178.6 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 741 | K | 35.2 | Very low | 32.9 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 150.7 | 113.2 | 131.2 | -177.1 | 169.8 | -174.5 | 172.9 | 0 | 112 | | |
| 742 | S | 35.8 | Very low | 32.8 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -167.3 | 54 | 148.6 | -79.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 743 | D | 33.1 | Very low | 32.9 | Very low | 150 Ų | 150 | 148 Ų | 148 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -74 | 135.7 | 166.2 | -60.8 | -66.8 | 0 | 0 | 0 | 109.9 | | |
| 744 | L | 34.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -154.4 | 91.1 | 157.9 | -113.2 | 166.5 | 0 | 0 | 0 | 108.8 | | |
| 745 | I | 34 | Very low | 33 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | 47.9 | 124.9 | 134.1 | -57.4 | 177.5 | 0 | 0 | 0 | 115.8 | | |
| 746 | E | 34.9 | Very low | 33 | Very low | 179 Ų | 179 | 148.9 Ų | 148.9 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | cis | -152.2 | 164.2 | 45 | -151 | 139.8 | -147.2 | 0 | 0 | 112.7 | | |
| 747 | Y | 31.8 | Very low | 33 | Very low | 225 Ų | 225 | 147.8 Ų | 147.8 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | | | trans | -132.1 | 140.9 | 168 | -138 | -83.9 | 0 | 0 | 0 | 109.8 | | |
| 748 | D | 29.8 | Very low | 33 | Very low | 139 Ų | 139 | 144.2 Ų | 144.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | trans | -71.8 | 132.2 | -174 | 179.7 | 19.5 | 0 | 0 | 0 | 112.7 | | |
| 749 | Q | 35.1 | Very low | 33.2 | Very low | 188 Ų | 188 | 143 Ų | 143 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | | | trans | -158 | 132.6 | 146.4 | -123 | 158.6 | 65.5 | 0 | 0 | 115.1 | | |
| 750 | S | 33.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | trans | -68.9 | 144.4 | -176.6 | 53.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 751 | S | 32 | Very low | 33.3 | Very low | 93 Ų | 93 | 145.6 Ų | 145.6 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | | | trans | 52.1 | 112 | 142.9 | 62.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 752 | N | 31.9 | Very low | 33.2 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | | -172.4 | 115.2 | 116.2 | -94.4 | -38 | 0 | 0 | 0 | 110.2 | | |
| 753 | V | 33 | Very low | 33.2 | Very low | 118 Ų | 118 | 142.3 Ų | 142.3 | 72% | 0.715 | 74% | 0.741 | S | S | * | * | | | | 92.7 | 102.3 | 97.8 | 165.3 | 0 | 0 | 0 | 0 | 114 | | |
| 754 | V | 30.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | | | trans | 48.9 | 118.2 | 138.2 | -167 | 0 | 0 | 0 | 0 | 119.2 | | |
| 755 | I | 33.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | | | | -167.3 | 128.2 | 110.9 | -94.5 | 166.3 | 0 | 0 | 0 | 110.1 | | |
| 756 | Q | 33.4 | Very low | 33 | Very low | 150 Ų | 150 | 138.6 Ų | 138.6 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | 13.3 | 138.1 | 146.1 | -43 | 165.6 | -25.4 | 0 | 0 | 118.3 | | |
| 757 | H | 34 | Very low | 32.7 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 66% | 0.662 | 74% | 0.738 | S | S | * | * | | | cis | -169.9 | 151 | 43.4 | -111.4 | -63.2 | 0 | 0 | 0 | 111.2 | | |
| 758 | N | 31.8 | Very low | 32.9 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | | | trans | 61.6 | 143.7 | 142.3 | -59.6 | -1.9 | 0 | 0 | 0 | 120.2 | | |
| 759 | T | 34.4 | Very low | 33 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 53% | 0.528 | 74% | 0.741 | S | S | . | * | | | cis | -171.4 | 144.8 | -3.1 | 18.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 760 | Y | 32.6 | Very low | 32.8 | Very low | 205 Ų | 205 | 135 Ų | 135 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | 62.8 | 148.4 | 161.3 | -43 | -49.3 | 0 | 0 | 0 | 117.2 | | |
| 761 | L | 34.9 | Very low | 32.8 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | | | cis | -128.8 | 141.9 | 4.1 | -83.5 | 92.7 | 0 | 0 | 0 | 110.2 | | |
| 762 | T | 33.7 | Very low | 32.7 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | | 44.3 | 132.1 | 100.7 | 92.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 763 | T | 36 | Very low | 33.4 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | cis | -150.1 | 148.5 | 16.8 | 45.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 764 | N | 29.3 | Very low | 33.3 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -75.5 | 161.9 | 156.4 | -98.2 | -26.1 | 0 | 0 | 0 | 110.8 | | |
| 765 | P | 37.4 | Very low | 33.6 | Very low | 121 Ų | 121 | 146.7 Ų | 146.7 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | | | | -140.6 | 142 | 108.5 | 37 | -25.2 | 0 | 0 | 0 | 115.1 | | |
| 766 | S | 28.8 | Very low | 33.8 | Very low | 91 Ų | 91 | 145.5 Ų | 145.5 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -91.2 | 175.9 | 155.2 | -50.8 | 0 | 0 | 0 | 0 | 110 | | |
| 767 | Y | 30.5 | Very low | 34 | Very low | 216 Ų | 216 | 144.5 Ų | 144.5 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | | | trans | 75.2 | 86.6 | 172.6 | -61.3 | -85 | 0 | 0 | 0 | 119 | | |
| 768 | L | 35.4 | Very low | 34.3 | Very low | 166 Ų | 166 | 146.1 Ų | 146.1 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | | -148.7 | 132.2 | 124.3 | -68.9 | -176 | 0 | 0 | 0 | 104.6 | | |
| 769 | Q | 31.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | cis | 59.5 | 78.2 | 23.1 | -168.9 | 163.5 | -25 | 0 | 0 | 115.4 | | |
| 770 | C | 30.5 | Very low | 34.9 | Very low | 97 Ų | 97 | 148.7 Ų | 148.7 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | | | trans | -169 | 142.9 | 139 | 56.7 | 0 | 0 | 0 | 0 | 114 | | |
| 771 | N | 33.6 | Very low | 35.2 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 69.1 | 99.3 | 143.3 | -57 | -8.5 | 0 | 0 | 0 | 121.7 | | |
| 772 | N | 29.3 | Very low | 35.6 | Very low | 146 Ų | 146 | 148.2 Ų | 148.2 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -63.3 | 142.7 | 145.2 | -155.4 | 14.9 | 0 | 0 | 0 | 110.7 | | |
| 773 | P | 46.3 | Very low | 36 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | | | trans | -122.5 | 131.9 | 157.1 | 35.1 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 774 | Y | 31.5 | Very low | 36.4 | Very low | 206 Ų | 206 | 150 Ų | 150 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | | | trans | -64.6 | 144 | -179 | -78.8 | -111.4 | 0 | 0 | 0 | 115.4 | V776 | Y774-V776 HydrophobicContact CD1-CG2 4.48Š|
| 775 | K | 37.7 | Very low | 37.3 | Very low | 205 Ų | 205 | 147.7 Ų | 147.7 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | | | trans | -140.6 | 101.2 | 133.3 | -86.9 | -166.4 | 169.8 | -167.8 | 0 | 106.6 | | |
| 776 | V | 38.3 | Very low | 37.5 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | | 66.1 | 119 | 70.2 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | Y774 | Y774-V776 HydrophobicContact CD1-CG2 4.48Š|
| 777 | P | 37.8 | Very low | 38 | Very low | 129 Ų | 129 | 149.4 Ų | 149.4 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -97.1 | 164.6 | -168 | 39.1 | -37.3 | 0 | 0 | 0 | 114.6 | | |
| 778 | E | 39.5 | Very low | 38.5 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | | | trans | -157.9 | 134 | -173.9 | -166.8 | 163.4 | -135.4 | 0 | 0 | 108.1 | | |
| 779 | I | 40 | Very low | 38.8 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | | | cis | -150 | 151.5 | -12.2 | -133.9 | 166.6 | 0 | 0 | 0 | 109.9 | | |
| 780 | I | 37.8 | Very low | 39.2 | Very low | 136 Ų | 136 | 139 Ų | 139 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | 34 | 121.8 | 158.4 | -59.2 | 159.7 | 0 | 0 | 0 | 119.9 | | |
| 781 | H | 40.7 | Very low | 39.6 | Very low | 195 Ų | 195 | 138.9 Ų | 138.9 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | | | trans | -95.4 | 143.9 | 152.6 | -129.4 | -72.6 | 0 | 0 | 0 | 108.8 | | |
| 782 | E | 41.5 | Very low | 39.9 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -125.5 | 148.9 | -172.9 | -148.8 | 172.9 | -148 | 0 | 0 | 111.6 | | |
| 783 | H | 43.5 | Very low | 40.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 68% | 0.676 | 74% | 0.738 | S | S | * | * | | | trans | 63.8 | 143.8 | 177.3 | -60.2 | -77.1 | 0 | 0 | 0 | 117.3 | | |
| 784 | D | 44.6 | Very low | 40.2 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | cis | -156.8 | 176.6 | -9.9 | -110 | -17.4 | 0 | 0 | 0 | 110.6 | | |
| 785 | P | 46.8 | Very low | 40.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 73% | 0.731 | S | S | * | * | | | trans | -121.6 | -178.6 | -145.6 | 37.7 | -22.9 | 0 | 0 | 0 | 117.7 | | |
| 786 | I | 42.4 | Very low | 40.9 | Very low | 150 Ų | 150 | 133 Ų | 133 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | | | trans | 144.2 | 134.8 | 138.5 | -73.9 | 157.3 | 0 | 0 | 0 | 114.7 | | |
| 787 | S | 39.1 | Very low | 41.3 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 72% | 0.724 | S | S | * | * | | | trans | 39.7 | 125.8 | 164.3 | 66.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 788 | S | 40.3 | Very low | 41.4 | Very low | 102 Ų | 102 | 133.5 Ų | 133.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | cis | 98.9 | 127 | 27.1 | 77.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 789 | V | 42 | Very low | 41.4 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 78% | 0.782 | 72% | 0.715 | S | S | * | * | | | trans | 73.1 | 131.1 | 145.6 | 167.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 790 | T | 39.3 | Very low | 41.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | | | cis | -160.2 | 154.1 | -7 | 21.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 791 | S | 39.9 | Very low | 41.5 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | | | trans | 28.7 | 154.8 | 130.3 | -36.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 792 | N | 38.9 | Very low | 41.4 | Very low | 133 Ų | 133 | 125.7 Ų | 125.7 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | | | cis | -170.6 | 158.9 | 43.7 | -121.1 | -32.7 | 0 | 0 | 0 | 114 | | |
| 793 | Q | 41.3 | Very low | 41.2 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | trans | 68.2 | 158.4 | 150.9 | -70.9 | 163.4 | 29.8 | 0 | 0 | 118.7 | | |
| 794 | M | 41.4 | Very low | 41.1 | Very low | 144 Ų | 144 | 124.6 Ų | 124.6 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | | | cis | -157.9 | 147.8 | 16.7 | -135.3 | 162.3 | -170.6 | 0 | 0 | 112.4 | | |
| 795 | N | 41.2 | Very low | 40.8 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | | | trans | 57.5 | 153.6 | 156 | -55.6 | -0.8 | 0 | 0 | 0 | 121.1 | | |
| 796 | D | 43 | Very low | 40.3 | Very low | 142 Ų | 142 | 127.5 Ų | 127.5 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | | | cis | -160.6 | 164.8 | -24.2 | -105.1 | -32.6 | 0 | 0 | 0 | 110.8 | | |
| 797 | P | 47.2 | Very low | 40.2 | Very low | 105 Ų | 105 | 125.3 Ų | 125.3 | 68% | 0.682 | 72% | 0.715 | S | S | * | * | | | trans | -112.2 | 167.8 | -168.3 | 41.5 | -35.2 | 0 | 0 | 0 | 116.8 | | |
| 798 | N | 39.6 | Very low | 40.3 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 81% | 0.807 | 72% | 0.716 | S | S | * | * | | | trans | 176.5 | 154.3 | 157.9 | -96.5 | -23.8 | 0 | 0 | 0 | 111.4 | | |
| 799 | I | 39.4 | Very low | 40.3 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 67% | 0.672 | 72% | 0.717 | S | S | * | * | | | cis | -164.2 | 153.1 | -21.6 | -141.8 | 176.7 | 0 | 0 | 0 | 110 | | |
| 800 | T | 39.9 | Very low | 40.1 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 71% | 0.706 | 72% | 0.718 | S | S | * | * | | | trans | 58.1 | 126.9 | 165.2 | 51.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 801 | S | 39.3 | Very low | 40.1 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | | | | 81.5 | 137.3 | 74 | 101.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 802 | N | 38.3 | Very low | 39.9 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 73% | 0.733 | 73% | 0.729 | S | S | * | * | | | cis | -158.1 | 158.3 | 9.8 | -106.3 | -12.1 | 0 | 0 | 0 | 113.2 | | |
| 803 | E | 38.7 | Very low | 39.6 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | | | trans | 46.4 | 139.5 | 148.3 | -59.6 | -166.8 | 137.4 | 0 | 0 | 125.3 | | |
| 804 | S | 41.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | | | trans | 51.1 | 139.9 | 136.5 | -61.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 805 | L | 37.5 | Very low | 39.1 | Very low | 145 Ų | 145 | 137.1 Ų | 137.1 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | | | cis | -159.9 | 178.6 | 5.7 | -116.8 | 169 | 0 | 0 | 0 | 111.3 | | |
| 806 | L | 37.5 | Very low | 39 | Very low | 151 Ų | 151 | 136 Ų | 136 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -15.2 | 149.7 | 160.9 | -96.2 | 46.9 | 0 | 0 | 0 | 118.5 | | |
| 807 | T | 40.3 | Very low | 38.9 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 64% | 0.638 | 75% | 0.749 | S | S | * | * | | | cis | -169.6 | 168.6 | -5.5 | -143.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 808 | M | 39.2 | Very low | 38.6 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | | | trans | 7.4 | 147.7 | 158.5 | -57.8 | -175.8 | -71.2 | 0 | 0 | 121.2 | | |
| 809 | M | 40.9 | Very low | 38.5 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | | | cis | -168.3 | 176 | 6.5 | -121.3 | 170.7 | -170.6 | 0 | 0 | 113.5 | | |
| 810 | N | 39.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 137.1 Ų | 137.1 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | | | trans | 81.1 | 118.8 | 157.4 | -64.1 | -17.6 | 0 | 0 | 0 | 121.1 | | |
| 811 | M | 38.5 | Very low | 38.7 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | | | trans | -87.9 | 149.9 | 162.6 | -64.5 | 178.3 | -178.8 | 0 | 0 | 109.3 | | |
| 812 | N | 36.6 | Very low | 38.7 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | | | cis | 104.7 | 140 | 32.2 | -146 | 2.3 | 0 | 0 | 0 | 113 | | |
| 813 | R | 32.6 | Very low | 38.7 | Very low | 223 Ų | 223 | 144 Ų | 144 | 84% | 0.842 | 75% | 0.749 | S | S | * | * | | | trans | -80.7 | 163.8 | -176.9 | -70.7 | 172.5 | 163.4 | -177.3 | -4.4 | 112.8 | | |
| 814 | S | 37 | Very low | 39 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | | 164.9 | 142 | 128 | -72.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 815 | T | 34.8 | Very low | 39.3 | Very low | 126 Ų | 126 | 146.9 Ų | 146.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | cis | 81.5 | 108.1 | 30.1 | 67.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 816 | S | 38.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 147.2 Ų | 147.2 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 177.6 | 148.9 | 160.6 | 52.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 817 | K | 40.7 | Very low | 40 | Very low | 200 Ų | 200 | 148.6 Ų | 148.6 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | cis | -154.4 | 166.9 | -12.1 | -90.7 | 155.1 | -172.8 | 173.2 | 0 | 104.3 | | |
| 818 | S | 40.5 | Very low | 40 | Very low | 94 Ų | 94 | 148.4 Ų | 148.4 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | | | cis | -174.9 | 144.8 | 45.1 | -166.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 819 | I | 38.2 | Very low | 40.3 | Very low | 148 Ų | 148 | 153.4 Ų | 153.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | 35.9 | 127.2 | 137.8 | -53.7 | 171.5 | 0 | 0 | 0 | 117.6 | | |
| 820 | T | 42.1 | Very low | 40.3 | Very low | 109 Ų | 109 | 153.7 Ų | 153.7 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | cis | -152.9 | 167.3 | 49.4 | -22.3 | 0 | 0 | 0 | 0 | 114 | | |
| 821 | E | 41.5 | Very low | 40.3 | Very low | 169 Ų | 169 | 153.8 Ų | 153.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | 65.2 | 157.6 | 157.3 | -73.7 | 162.3 | -146.3 | 0 | 0 | 119.8 | | |
| 822 | Q | 40 | Very low | 40.4 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | | -161.4 | 153.9 | -50.4 | -143.6 | 177.8 | 2.9 | 0 | 0 | 110.3 | | |
| 823 | Y | 38.4 | Very low | 40.6 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | trans | 69.4 | 119.6 | 174 | -67.8 | -78.2 | 0 | 0 | 0 | 117 | | |
| 824 | F | 43.2 | Very low | 41.1 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 77% | 0.768 | 78% | 0.78 | S | S | * | * | | | | 65 | 136.9 | 105.4 | -80.8 | -123.1 | 0 | 0 | 0 | 113.9 | | |
| 825 | E | 47.8 | Very low | 41.4 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | cis | -154.7 | 147.1 | 23.5 | -157 | 156.3 | -130.4 | 0 | 0 | 112.5 | | |
| 826 | D | 50.5 | Low | 41.9 | Very low | 152 Ų | 152 | 154 Ų | 154 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | 58.3 | 170.3 | 157.7 | -70.8 | 5 | 0 | 0 | 0 | 124.5 | | |
| 827 | Q | 39.5 | Very low | 42.2 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -156.4 | -178.1 | -150.4 | -76.6 | -111.2 | -35.1 | 0 | 0 | 109.9 | | |
| 828 | P | 40.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 154 Ų | 154 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | | | cis | -134.3 | 170.9 | -49.5 | 38.2 | -23.7 | 0 | 0 | 0 | 113.1 | | |
| 829 | L | 45.1 | Very low | 42.5 | Very low | 245 Ų | 245 | 159.5 Ų | 159.5 | 100% | 1.283 | 79% | 0.788 | S | S | * | * | | | trans | -160.5 | 0 | 134.2 | -113.5 | 168.2 | 0 | 0 | 0 | 110.5 | | |