| 1 | M | 32.3 | Very low | 30.7 | Very low | 232 Ų | 232 | 132.3 Ų | 132.3 | 100% | 1.143 | 72% | 0.716 | S | S | * | * | | | | 0 | 118.9 | 0 | -81.3 | 159.7 | 167.5 | 0 | 0 | 106.7 | | |
| 2 | S | 25.6 | Very low | 31 | Very low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | | 84.2 | 129.1 | 64 | -60.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 3 | T | 28.1 | Very low | 31 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | | | trans | 65.1 | 142 | 140.9 | 55.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 4 | H | 30 | Very low | 31.3 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | | | cis | -171.3 | 166.8 | 6.7 | -114.4 | -28 | 0 | 0 | 0 | 106.1 | | |
| 5 | T | 31.7 | Very low | 31.3 | Very low | 92 Ų | 92 | 127 Ų | 127 | 56% | 0.564 | 71% | 0.71 | S | S | * | * | | | cis | -172.9 | 160.4 | -7.1 | -154.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 6 | L | 30.9 | Very low | 31.2 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 69% | 0.691 | 71% | 0.706 | S | S | * | * | | | trans | 60.8 | 173.1 | 159.5 | -59.2 | 174.6 | 0 | 0 | 0 | 116.6 | T8 | L6-T8 HydrophobicContact CD2-CG2 4.31Š|
| 7 | I | 32 | Very low | 31.4 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | cis | -137 | 105.8 | -3.2 | -137 | 145.7 | 0 | 0 | 0 | 107.5 | | |
| 8 | T | 31.3 | Very low | 31.5 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 54% | 0.54 | 71% | 0.707 | S | S | . | * | | | | 87.2 | 138.2 | 94.8 | 58.8 | 0 | 0 | 0 | 0 | 117.8 | L6 | L6-T8 HydrophobicContact CD2-CG2 4.31Š|
| 9 | K | 32.5 | Very low | 31.4 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | trans | 70.7 | 146.2 | 149.1 | -67.1 | 160.8 | -175.3 | 178.1 | 0 | 116.1 | | |
| 10 | N | 32.8 | Very low | 31.5 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | | | cis | -141.5 | 138 | 0.2 | -105.3 | -9.2 | 0 | 0 | 0 | 107.8 | | |
| 11 | S | 30.8 | Very low | 31.4 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | | 52.2 | 136.1 | 91.6 | 89.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 12 | S | 34.3 | Very low | 31.4 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 66% | 0.664 | 69% | 0.688 | S | S | * | * | | | cis | -156.4 | 161.1 | 36.5 | -55 | 0 | 0 | 0 | 0 | 114.6 | | |
| 13 | S | 31 | Very low | 31.7 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | | | trans | 29.9 | 138.7 | 142 | 62.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 14 | V | 34.7 | Very low | 31.9 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 76% | 0.758 | 68% | 0.675 | S | S | * | * | | | | -148.8 | 116.2 | 52.9 | 158.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 15 | I | 31.4 | Very low | 31.9 | Very low | 138 Ų | 138 | 118.1 Ų | 118.1 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | | | | 65.9 | 93.5 | 84.1 | -66.9 | 166.7 | 0 | 0 | 0 | 110.7 | | |
| 16 | S | 30.5 | Very low | 31.9 | Very low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 68% | 0.679 | S | S | * | * | | | | 104.6 | 156.7 | 95 | -160.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 17 | T | 34.4 | Very low | 31.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | | | cis | -147.5 | 127 | 16.6 | -39.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 18 | K | 32.3 | Very low | 31.9 | Very low | 173 Ų | 173 | 120.8 Ų | 120.8 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | | | trans | 21.8 | 139.6 | 135.6 | -47 | 174.9 | 173.5 | 177.9 | 0 | 121.9 | | |
| 19 | T | 30.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | | | trans | 67.6 | 155.6 | 131.7 | 57.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 20 | N | 32.2 | Very low | 31.9 | Very low | 151 Ų | 151 | 121.8 Ų | 121.8 | 81% | 0.807 | 68% | 0.682 | S | S | * | * | | | cis | -143.7 | 162.2 | 9.2 | -139.7 | -1.3 | 0 | 0 | 0 | 113.6 | | |
| 21 | Q | 30.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 121.9 Ų | 121.9 | 85% | 0.85 | 68% | 0.682 | S | S | * | * | | | trans | -83.5 | 154.6 | 165.6 | -69.1 | 176.4 | -21 | 0 | 0 | 110.7 | | |
| 22 | G | 32.8 | Very low | 31.8 | Very low | 43 Ų | 43 | 121.7 Ų | 121.7 | 44% | 0.443 | 69% | 0.687 | S | S | . | * | | | trans | -166.9 | 58.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T248 | G22-T248 VanDerWaalsContact O-CG2 3.31Å; G22-T248 WeakPolarHBondContact O-CG2 3.44Å |
| 23 | N | 31.7 | Very low | 31.4 | Very low | 154 Ų | 154 | 121.8 Ų | 121.8 | 82% | 0.824 | 69% | 0.687 | S | S | * | * | | | trans | -97.2 | 123.5 | -174.5 | -174.1 | 33.4 | 0 | 0 | 0 | 110.3 | | |
| 24 | T | 30.9 | Very low | 31.2 | Very low | 42 Ų | 42 | 125 Ų | 125 | 26% | 0.258 | 70% | 0.696 | S | S | . | * | | | trans | 168.9 | 163.7 | 177.6 | 28 | 0 | 0 | 0 | 0 | 112.8 | T248 V249 T250 | T24-T248 WeakPolarHBondContact OG1-CG2 3.34Å; T24-V249 VanDerWaalsContact CB-C 3.42Å; T24-V249 WeakPolarHBondContact CB-O 3.28Å; T24-V249 WeakPolarHBondContact CG2-O 3.45Å; T24-V249 WeakPolarHBondContact OG1-CA 3.31Å; T24-V249 PolarHBondContact OG1-N 2.95Å; T24-V249 PolarHBondContact OG1-O 3.06Å; T24-T250 PolarHBondContact OG1-N 3.31Å |
| 25 | I | 31.3 | Very low | 30.8 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 55% | 0.554 | 69% | 0.694 | S | S | * | * | | | cis | -170.4 | 138.2 | -39.2 | -129.7 | 168.8 | 0 | 0 | 0 | 109.9 | | |
| 26 | K | 30.6 | Very low | 30.6 | Very low | 195 Ų | 195 | 123.2 Ų | 123.2 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | | | trans | 59.9 | 164.1 | 173.8 | -58.9 | 166 | -173.1 | 175 | 0 | 113.8 | | |
| 27 | A | 30.5 | Very low | 30.4 | Very low | 79 Ų | 79 | 128.2 Ų | 128.2 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | | | cis | -131.2 | -172.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 28 | D | 32.4 | Very low | 30.6 | Very low | 140 Ų | 140 | 128.9 Ų | 128.9 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | | | cis | -161.1 | 169.5 | 21.5 | -122.1 | -26 | 0 | 0 | 0 | 112.8 | | |
| 29 | L | 31.7 | Very low | 30.4 | Very low | 121 Ų | 121 | 125 Ų | 125 | 63% | 0.634 | 70% | 0.703 | S | S | * | * | | | trans | 30.1 | 132.1 | 152.8 | -87.9 | 76.2 | 0 | 0 | 0 | 124.1 | | |
| 30 | F | 33.5 | Very low | 30.6 | Very low | 170 Ų | 170 | 124.9 Ų | 124.9 | 75% | 0.746 | 70% | 0.698 | S | S | * | * | | | trans | 76.4 | 123.7 | 130.6 | -80.9 | -137.1 | 0 | 0 | 0 | 118.5 | | |
| 31 | N | 27.3 | Very low | 30.7 | Very low | 131 Ų | 131 | 125.7 Ų | 125.7 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | | | | 93.8 | 159.2 | 60.9 | -79.7 | -32.9 | 0 | 0 | 0 | 112.5 | | |
| 32 | A | 32.5 | Very low | 30.9 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 69% | 0.69 | S | S | * | * | | | trans | 67.5 | 130.2 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 33 | S | 27.2 | Very low | 31 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 70% | 0.704 | S | S | * | * | | | cis | 82.8 | 121.4 | 27.3 | 88.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 34 | L | 26.5 | Very low | 31.1 | Very low | 159 Ų | 159 | 129.3 Ų | 129.3 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | | | trans | 67.3 | 169 | 170.4 | -78.8 | 76.6 | 0 | 0 | 0 | 116.8 | | |
| 35 | S | 25.3 | Very low | 31.5 | Very low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | | | trans | -4.4 | 144.7 | 160.2 | 54.4 | 0 | 0 | 0 | 0 | 118 | | |
| 36 | T | 28.9 | Very low | 31.7 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | | -160.5 | 155.9 | 58.5 | -51.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 37 | Y | 26 | Very low | 32 | Very low | 197 Ų | 197 | 130.7 Ų | 130.7 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -56.9 | 155.4 | 166 | -81.6 | -98.9 | 0 | 0 | 0 | 113.3 | | |
| 38 | P | 38.7 | Very low | 32.4 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | | | trans | -89.3 | 119.4 | 133.8 | 11.6 | 7.2 | 0 | 0 | 0 | 109.2 | | |
| 39 | S | 28.3 | Very low | 32.6 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | trans | -111.5 | 117.2 | 170.9 | -63 | 0 | 0 | 0 | 0 | 110.4 | | |
| 40 | D | 34.1 | Very low | 32.8 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | | | trans | -138.2 | 116.3 | 163.2 | -90.7 | -49.1 | 0 | 0 | 0 | 108 | | |
| 41 | K | 33.8 | Very low | 32.8 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | | 64.3 | 119.1 | 97.9 | -66.7 | -174.6 | -166.4 | 94.9 | 0 | 111.7 | | |
| 42 | Q | 34.7 | Very low | 33 | Very low | 160 Ų | 160 | 136.6 Ų | 136.6 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | cis | -159.6 | 170 | 16.1 | -97.8 | 153 | -4.5 | 0 | 0 | 111.6 | | |
| 43 | N | 34.4 | Very low | 32.9 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 74% | 0.744 | S | S | * | * | | | trans | 72.3 | 121.3 | 167.5 | -51.4 | -24.4 | 0 | 0 | 0 | 117.2 | | |
| 44 | I | 33.9 | Very low | 33.1 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | cis | 79.5 | 128.5 | 17 | -50.1 | 178.3 | 0 | 0 | 0 | 113.8 | | |
| 45 | P | 39.3 | Very low | 33.3 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | | | cis | -140.6 | -170.5 | -16.6 | 38.3 | -18.2 | 0 | 0 | 0 | 116.8 | | |
| 46 | N | 36.6 | Very low | 33.6 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | | | trans | 108.8 | 111.7 | 155.5 | -58 | -34.2 | 0 | 0 | 0 | 116.6 | | |
| 47 | N | 37 | Very low | 33.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | | | | 83.8 | 128.8 | 61.9 | -157.9 | 27.5 | 0 | 0 | 0 | 110.6 | | |
| 48 | I | 38.9 | Very low | 34 | Very low | 144 Ų | 144 | 133.6 Ų | 133.6 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | cis | -142.5 | 157.6 | 33.5 | -62.4 | 160.3 | 0 | 0 | 0 | 112.9 | | |
| 49 | D | 36.9 | Very low | 33.8 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -60.4 | 175.5 | 171.7 | -59.9 | -92.2 | 0 | 0 | 0 | 115.9 | | |
| 50 | T | 35.6 | Very low | 33.9 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | | | | -162.2 | 165.9 | 55.5 | 46.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 51 | K | 33.2 | Very low | 33.7 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | -94.7 | 160.7 | -176.3 | -52 | 168.2 | -177.1 | 171.1 | 0 | 113.1 | | |
| 52 | I | 31.8 | Very low | 33.5 | Very low | 168 Ų | 168 | 135 Ų | 135 | 86% | 0.862 | 75% | 0.75 | S | S | * | * | | | trans | -129.2 | 146.9 | 136.9 | -66.2 | -173.9 | 0 | 0 | 0 | 109 | | |
| 53 | T | 30.2 | Very low | 33.3 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | | | trans | -156.2 | 163.7 | 179.8 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 54 | S | 30.9 | Very low | 33.1 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | | | trans | 85.4 | 132.8 | -176 | -37.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 55 | A | 30.5 | Very low | 32.8 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | | | cis | 87.6 | 146.3 | 25.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 56 | S | 32.6 | Very low | 32.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | trans | 71.3 | 154.2 | -169.1 | 78.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 57 | T | 32.8 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 82% | 0.816 | 74% | 0.738 | S | S | * | * | | | cis | -163 | 154.4 | -28 | -86.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 58 | L | 29.2 | Very low | 31.8 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | | | trans | -60.5 | 147.6 | 175.6 | -67.4 | 169.3 | 0 | 0 | 0 | 112.9 | | |
| 59 | P | 34.1 | Very low | 31.3 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | | | | -131.5 | 153.1 | 70.2 | 13 | 11.5 | 0 | 0 | 0 | 113.9 | | |
| 60 | V | 30.6 | Very low | 30.8 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | 89.1 | 111.8 | 48.7 | 174.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 61 | K | 30.2 | Very low | 30.5 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | trans | 67.4 | 158 | 161.7 | -74.4 | 178.4 | 155.2 | -147.3 | 0 | 117.7 | | |
| 62 | E | 30.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | cis | -149 | 132.1 | -2.1 | -119.2 | 155.3 | -169.4 | 0 | 0 | 107.2 | | |
| 63 | S | 30.6 | Very low | 30.3 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | | | | 82.8 | 169 | 83.2 | 92.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 64 | I | 29.5 | Very low | 30.2 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | | | trans | 76.5 | 97.9 | 173.3 | -63.9 | 160.9 | 0 | 0 | 0 | 113.6 | | |
| 65 | I | 28.3 | Very low | 30.1 | Very low | 134 Ų | 134 | 125.9 Ų | 125.9 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | | | | 76.8 | 125.4 | 85.1 | -71.4 | 163.5 | 0 | 0 | 0 | 110.7 | | |
| 66 | S | 28.6 | Very low | 29.9 | Very low | 98 Ų | 98 | 128.2 Ų | 128.2 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | | | | -169.6 | 151.5 | 66.3 | -1.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 67 | H | 31.8 | Very low | 29.7 | Very low | 156 Ų | 156 | 132.7 Ų | 132.7 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | | 41.1 | 145.1 | 126.8 | -58.5 | -50.3 | 0 | 0 | 0 | 121.9 | | |
| 68 | N | 31.2 | Very low | 29.5 | Very low | 125 Ų | 125 | 132.4 Ų | 132.4 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | | | cis | -149.7 | 143.4 | 0.6 | -96.4 | -22.4 | 0 | 0 | 0 | 108.1 | | |
| 69 | N | 27.6 | Very low | 29.3 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | | | | 67.7 | 138.1 | 71.9 | -95.4 | -1.4 | 0 | 0 | 0 | 116.1 | | |
| 70 | T | 28.1 | Very low | 29 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 84% | 0.84 | 71% | 0.709 | S | S | * | * | | | trans | 63.4 | 145.8 | 170.1 | 39.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 71 | S | 27.6 | Very low | 28.9 | Very low | 85 Ų | 85 | 129.8 Ų | 129.8 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | cis | -161.4 | 179.7 | -7.4 | 48.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 72 | D | 32.2 | Very low | 28.8 | Very low | 130 Ų | 130 | 128.7 Ų | 128.7 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | | | trans | 66.3 | 156.1 | 153 | -63.3 | -50.2 | 0 | 0 | 0 | 118.3 | | |
| 73 | N | 29 | Very low | 29 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | | | cis | -165.5 | 157 | -38.1 | -131 | -52.7 | 0 | 0 | 0 | 106.6 | | |
| 74 | L | 27.7 | Very low | 29 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | | | trans | 65.3 | 153.9 | 155.4 | -63.3 | 165.5 | 0 | 0 | 0 | 122.2 | | |
| 75 | T | 29 | Very low | 29.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | 65.8 | 104.1 | 150 | 41.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 76 | N | 26.5 | Very low | 29.7 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | | 4.5 | 130 | 119.4 | -56.7 | -13.2 | 0 | 0 | 0 | 117.8 | | |
| 77 | Y | 28.5 | Very low | 29.8 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 83% | 0.827 | 74% | 0.744 | S | S | * | * | | | | -170.8 | 117.3 | 126.7 | -107.4 | -88.8 | 0 | 0 | 0 | 104.9 | | |
| 78 | I | 28.2 | Very low | 29.9 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 65% | 0.651 | 74% | 0.74 | S | S | * | * | | | | 71 | 138.7 | 69 | -65.8 | 166.6 | 0 | 0 | 0 | 112.7 | | |
| 79 | S | 26.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | 69.8 | 133.1 | 178 | -62.1 | 0 | 0 | 0 | 0 | 116 | | |
| 80 | S | 26.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | | | cis | 84.2 | 84.8 | 31.3 | 87.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 81 | S | 29.3 | Very low | 30.9 | Very low | 103 Ų | 103 | 139.1 Ų | 139.1 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | | | trans | -161.1 | 119 | 148.5 | -167.9 | 0 | 0 | 0 | 0 | 106.2 | | |
| 82 | L | 27.7 | Very low | 31.4 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | | | | 66.5 | 99.5 | 62.2 | -150.1 | 127.2 | 0 | 0 | 0 | 112.4 | | |
| 83 | Q | 34.7 | Very low | 31.4 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | trans | 155.1 | 145.3 | 150.7 | -89.1 | 175.3 | 42.1 | 0 | 0 | 109.7 | | |
| 84 | D | 31 | Very low | 31.6 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | | | cis | -169.6 | 172.5 | -32.7 | -139.7 | -50.3 | 0 | 0 | 0 | 108.4 | | |
| 85 | K | 38.2 | Very low | 31.7 | Very low | 191 Ų | 191 | 140.6 Ų | 140.6 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | | | trans | 74.7 | 118.9 | 174.9 | -51 | 140.1 | -173.4 | 171.3 | 0 | 115 | | |
| 86 | K | 33.2 | Very low | 31.7 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | | | cis | 121.9 | 100.9 | 6.8 | 177.4 | -171.7 | 175.4 | -179.6 | 0 | 111 | T88 | K86-T88 HydrophobicContact CG-CG2 4.1Š|
| 87 | C | 32.4 | Very low | 31.8 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 86% | 0.858 | 74% | 0.739 | S | S | * | * | | | trans | -168.7 | 69.2 | 150.8 | -142.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 88 | T | 33 | Very low | 31.9 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 64% | 0.638 | 74% | 0.74 | S | S | * | * | | | | 44.7 | 91.9 | 83.7 | 66.6 | 0 | 0 | 0 | 0 | 117.5 | K86 | K86-T88 HydrophobicContact CG-CG2 4.1Š|
| 89 | M | 34.5 | Very low | 32 | Very low | 163 Ų | 163 | 136.6 Ų | 136.6 | 80% | 0.803 | 74% | 0.743 | S | S | * | * | | | | -148.9 | 117.4 | 124.1 | -84.3 | -164.8 | 71.6 | 0 | 0 | 107 | | |
| 90 | K | 36.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | | 59.7 | 133 | 93.4 | -65.7 | -178.7 | 171.1 | -162.5 | 0 | 113.2 | | |
| 91 | Q | 37.8 | Very low | 32.5 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | | | cis | -164.4 | 163.1 | -2.4 | -103.9 | 167.8 | -107.6 | 0 | 0 | 104.2 | | |
| 92 | D | 36.7 | Very low | 32.8 | Very low | 121 Ų | 121 | 145.5 Ų | 145.5 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | | | cis | -166.6 | -179.4 | 8.3 | -107.2 | -30 | 0 | 0 | 0 | 106.1 | | |
| 93 | T | 32.7 | Very low | 32.9 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 64% | 0.638 | 75% | 0.753 | S | S | * | * | | | cis | 168 | 122.6 | -28.6 | -85.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 94 | L | 32.5 | Very low | 32.7 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | | | trans | 86.7 | 126.6 | 164.1 | -60.6 | 168.1 | 0 | 0 | 0 | 124.1 | | |
| 95 | I | 30.6 | Very low | 32.6 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | | 86.3 | 117.2 | 124.5 | -73.6 | 175.6 | 0 | 0 | 0 | 123 | | |
| 96 | T | 29.5 | Very low | 32.1 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | | | trans | 75.4 | 141.1 | 143.4 | -66.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 97 | S | 28.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | | | trans | -51.5 | 144.1 | -179.6 | 56.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 98 | Q | 31.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | -150.8 | 154.2 | 142.5 | -84 | -134.2 | 23.6 | 0 | 0 | 111.9 | | |
| 99 | P | 29 | Very low | 31.9 | Very low | 109 Ų | 109 | 149.2 Ų | 149.2 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -84.3 | 133.3 | 172.6 | 33.7 | -32.1 | 0 | 0 | 0 | 111.4 | K101 | P99-K101 PolarHBondContact O-N 3.41Š|
| 100 | I | 34.5 | Very low | 32 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 82% | 0.821 | 75% | 0.748 | S | S | * | * | | | trans | -76.9 | 96.8 | -179.3 | -58.1 | 178.8 | 0 | 0 | 0 | 110.5 | I102 | I100-I102 HydrophobicContact CG2-CG1 4.23Š|
| 101 | K | 28.6 | Very low | 31.7 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 130.5 | 150.1 | -77.9 | -179.7 | 174.9 | 176.8 | 0 | 108.4 | P99 | P99-K101 PolarHBondContact O-N 3.41Š|
| 102 | I | 36 | Very low | 31.5 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 129.9 | 160.4 | -62.4 | -179.7 | 0 | 0 | 0 | 107.3 | I100 | I100-I102 HydrophobicContact CG2-CG1 4.23Š|
| 103 | Q | 30.9 | Very low | 31.5 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 140.4 | -163.5 | -167.7 | 73.9 | -15 | 0 | 0 | 112.4 | | |
| 104 | L | 30 | Very low | 31.8 | Very low | 168 Ų | 168 | 152.9 Ų | 152.9 | 88% | 0.88 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -65 | 144.7 | 168 | -68.6 | 164.2 | 0 | 0 | 0 | 111.1 | | |
| 105 | R | 28 | Very low | 32 | Very low | 208 Ų | 208 | 152.2 Ų | 152.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | -145.4 | 124 | 159.6 | -167.1 | 160 | -170.4 | 149 | 20.6 | 111.7 | | |
| 106 | E | 28.8 | Very low | 32.3 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 70% | 0.696 | 75% | 0.751 | S | S | * | * | | | trans | 27.2 | 134 | 148 | -61.1 | 158.3 | 168.6 | 0 | 0 | 118.8 | | |
| 107 | E | 32.3 | Very low | 32.7 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | cis | -135.3 | 158 | 22.9 | -71.3 | -170.9 | 175.4 | 0 | 0 | 115.3 | K109 | E107-K109 IonicContact OE2-NZ 3.56Å; E107-K109 PolarHBondContact OE2-NZ 3.28Å |
| 108 | S | 29.8 | Very low | 33 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | trans | -73.1 | 124.7 | 172.9 | 43.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 109 | K | 32.9 | Very low | 33.2 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | | | trans | -153 | -13.7 | 162.4 | -104.1 | 129.5 | -162.2 | 166.4 | 0 | 120 | E107 | E107-K109 IonicContact OE2-NZ 3.56Å; E107-K109 PolarHBondContact OE2-NZ 3.28Å |
| 110 | E | 35.3 | Very low | 33.5 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | | | trans | -110.9 | 14.6 | -174.2 | -153.1 | 95 | -113.5 | 0 | 0 | 116.2 | R112 I113 | E110-R112 PolarHBondContact O-N 2.6Å; E110-I113 HydrophobicContact CG-CD1 4.44Å; E110-I113 VanDerWaalsContact OE1-CD1 3.3Å; E110-I113 WeakPolarHBondContact OE1-CD1 3.31Å |
| 111 | C | 30.3 | Very low | 33.5 | Very low | 119 Ų | 119 | 149 Ų | 149 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 20.3 | 175.5 | -66.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 112 | R | 34.1 | Very low | 33.5 | Very low | 215 Ų | 215 | 143.2 Ų | 143.2 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | -11.8 | -175.8 | -85.4 | -177.6 | 167.7 | 146.5 | -1.4 | 116 | E110 | E110-R112 PolarHBondContact O-N 2.6Š|
| 113 | I | 37 | Very low | 33.3 | Very low | 109 Ų | 109 | 140 Ų | 140 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -86.1 | -40.6 | 178 | -61.2 | -177.8 | 0 | 0 | 0 | 111.5 | E110 Q115 K116 L117 | E110-I113 HydrophobicContact CG-CD1 4.44Å; E110-I113 VanDerWaalsContact OE1-CD1 3.3Å; E110-I113 WeakPolarHBondContact OE1-CD1 3.31Å; I113-Q115 PolarHBondContact O-N 3.1Å; I113-K116 WeakPolarHBondContact O-CB 3.3Å; I113-K116 PolarHBondContact O-N 3.44Å; I113-L117 PolarHBondContact O-N 3.14Å |
| 114 | K | 39.2 | Very low | 33.4 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 77% | 0.774 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.1 | -41.7 | 177.5 | -77.1 | -176 | 173.2 | -178.5 | 0 | 112.8 | K116 L117 D118 | K114-K116 PolarHBondContact O-N 3.24Å; K114-L117 PolarHBondContact O-N 3.49Å; K114-D118 PolarHBondContact O-N 3.13Å |
| 115 | Q | 35.3 | Very low | 33.2 | Very low | 134 Ų | 134 | 137 Ų | 137 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -66.9 | -15.4 | 175 | -158.6 | 173.5 | 24.6 | 0 | 0 | 113.6 | I113 | I113-Q115 PolarHBondContact O-N 3.1Å |
| 116 | K | 37.2 | Very low | 33.2 | Very low | 144 Ų | 144 | 135.6 Ų | 135.6 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -91 | -18.7 | 177.4 | -158.4 | 176.2 | -178.5 | -178 | 0 | 113.2 | I113 K114 M120 | I113-K116 WeakPolarHBondContact O-CB 3.3Å; I113-K116 PolarHBondContact O-N 3.44Å; K114-K116 PolarHBondContact O-N 3.24Å; K116-M120 HydrophobicContact CG-CE 4.31Å; K116-M120 VanDerWaalsContact O-CE 3.27Å; K116-M120 WeakPolarHBondContact O-CE 3.32Å |
| 117 | L | 38.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 56% | 0.555 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -79.5 | -40.5 | 173.6 | -142.6 | 70.9 | 0 | 0 | 0 | 110.9 | I113 K114 L119 M120 N121 | I113-L117 PolarHBondContact O-N 3.14Å; K114-L117 PolarHBondContact O-N 3.49Å; L117-L119 PolarHBondContact O-N 3.36Å; L117-M120 PolarHBondContact O-N 3.27Å; L117-M120 VanDerWaalsContact O-N 3.08Å; L117-N121 PolarHBondContact O-N 2.89Å; L117-N121 PolarHBondContact O-ND2 2.74Å |
| 118 | D | 34.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -11 | 174.7 | -58.8 | -29.9 | 0 | 0 | 0 | 113.1 | K114 | K114-D118 PolarHBondContact O-N 3.13Š|
| 119 | L | 36.4 | Very low | 33 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 63% | 0.634 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 4.9 | 170.9 | -82.4 | 170.7 | 0 | 0 | 0 | 114.4 | L117 | L117-L119 PolarHBondContact O-N 3.36Š|
| 120 | M | 34.9 | Very low | 32.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 61% | 0.611 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -23.2 | 167.5 | -88.8 | -179.9 | -74.5 | 0 | 0 | 113.1 | K116 L117 A122 | K116-M120 HydrophobicContact CG-CE 4.31Å; K116-M120 VanDerWaalsContact O-CE 3.27Å; K116-M120 WeakPolarHBondContact O-CE 3.32Å; L117-M120 PolarHBondContact O-N 3.27Å; L117-M120 VanDerWaalsContact O-N 3.08Å; M120-A122 PolarHBondContact O-N 3.32Å |
| 121 | N | 33.2 | Very low | 32.5 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -84.5 | 10.6 | 175.2 | -64.6 | -41.4 | 0 | 0 | 0 | 113.7 | L117 | L117-N121 PolarHBondContact O-N 2.89Å; L117-N121 PolarHBondContact O-ND2 2.74Å |
| 122 | A | 29.9 | Very low | 32.3 | Very low | 61 Ų | 61 | 140.5 Ų | 140.5 | 50% | 0.504 | 70% | 0.703 | S | S | . | * | S | Bend | trans | -124 | 31.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M120 | M120-A122 PolarHBondContact O-N 3.32Š|
| 123 | S | 30.6 | Very low | 32.2 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 67% | 0.671 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -143.2 | 24.1 | -175.3 | -55 | 0 | 0 | 0 | 0 | 115.2 | | |
| 124 | I | 33.4 | Very low | 31.6 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 91% | 0.913 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -129 | 65.2 | 164 | -50 | -177.9 | 0 | 0 | 0 | 108.7 | | |
| 125 | S | 26.2 | Very low | 31.2 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | trans | -153.2 | 63.2 | 176.7 | 62.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 126 | E | 27.7 | Very low | 30.8 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 71% | 0.71 | S | S | * | * | | | trans | -168.7 | 85.8 | 162.1 | -115.9 | 168.8 | -142.7 | 0 | 0 | 112.6 | | |
| 127 | Q | 32.6 | Very low | 30.3 | Very low | 200 Ų | 200 | 140.1 Ų | 140.1 | 94% | 0.935 | 72% | 0.72 | S | S | * | * | | | trans | -143.3 | 91 | 139.5 | -80.4 | -150 | -12.7 | 0 | 0 | 109 | | |
| 128 | N | 25.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | | | trans | -63.3 | 148.2 | 156.9 | -66.5 | -65.1 | 0 | 0 | 0 | 108.7 | | |
| 129 | Y | 27.7 | Very low | 29.8 | Very low | 204 Ų | 204 | 146.5 Ų | 146.5 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | | -178.8 | 108.9 | 105.2 | -107 | -83.1 | 0 | 0 | 0 | 112.4 | | |
| 130 | N | 26.7 | Very low | 29.8 | Very low | 127 Ų | 127 | 145.1 Ų | 145.1 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | trans | 34.4 | 113.3 | 141.9 | -55.2 | -8 | 0 | 0 | 0 | 119.9 | | |
| 131 | K | 32.5 | Very low | 29.6 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | | | | -148.5 | 88.4 | 119.6 | -136.1 | 166.8 | -170.8 | 171.8 | 0 | 114.2 | | |
| 132 | S | 26.3 | Very low | 29.4 | Very low | 89 Ų | 89 | 147.2 Ų | 147.2 | 62% | 0.622 | 75% | 0.751 | S | S | * | * | | | trans | -77.8 | 148.4 | 152.8 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 133 | H | 30.1 | Very low | 29.2 | Very low | 167 Ų | 167 | 149 Ų | 149 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | 159 | 122.8 | 135.8 | -96.1 | -95.1 | 0 | 0 | 0 | 107.9 | | |
| 134 | F | 26.1 | Very low | 29 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 68% | 0.684 | 77% | 0.768 | S | S | * | * | | | cis | 82.1 | 94.1 | 36 | -158.7 | -62.5 | 0 | 0 | 0 | 113.3 | Q136 | F134-Q136 HydrophobicContact CD1-CG 4.42Å; F134-Q136 HydrophobicContact CE1-CG 4.16Å |
| 135 | L | 29.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | | | trans | -142.4 | 109.9 | 147 | -76 | -177 | 0 | 0 | 0 | 106.5 | | |
| 136 | Q | 27.1 | Very low | 29.7 | Very low | 142 Ų | 142 | 150 Ų | 150 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | | | | 70.4 | 109.1 | 88.5 | -71.1 | -178.4 | 2.6 | 0 | 0 | 112.6 | F134 | F134-Q136 HydrophobicContact CD1-CG 4.42Å; F134-Q136 HydrophobicContact CE1-CG 4.16Å |
| 137 | N | 26.4 | Very low | 29.7 | Very low | 158 Ų | 158 | 152.7 Ų | 152.7 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | | | | 68.1 | 92.4 | 69.8 | -81.6 | -14 | 0 | 0 | 0 | 114.6 | | |
| 138 | S | 30.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -145 | 97.3 | 148.1 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 139 | R | 33.3 | Very low | 30.4 | Very low | 238 Ų | 238 | 148.8 Ų | 148.8 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | -50 | 159.8 | 144.4 | -87.7 | -177.2 | 172.9 | -173.8 | -0.9 | 108.8 | | |
| 140 | P | 36.4 | Very low | 31.1 | Very low | 92 Ų | 92 | 144.3 Ų | 144.3 | 60% | 0.597 | 76% | 0.761 | S | S | * | * | | | cis | -159.2 | -175 | 42.2 | 46.7 | -26.1 | 0 | 0 | 0 | 118.9 | | |
| 141 | H | 30.5 | Very low | 31.4 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 66.1 | 164 | 143.4 | -67.1 | -23.3 | 0 | 0 | 0 | 119.2 | | |
| 142 | I | 27.9 | Very low | 31.4 | Very low | 138 Ų | 138 | 140 Ų | 140 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | cis | -161 | 164 | -32.1 | -111.1 | 168.1 | 0 | 0 | 0 | 107.2 | | |
| 143 | C | 26.5 | Very low | 31.7 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 68% | 0.676 | 78% | 0.777 | S | S | * | * | | | trans | 71.4 | 109.4 | 159.9 | -156.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 144 | M | 26.8 | Very low | 31.9 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | 47.2 | 137.5 | 130.1 | -51.3 | 174.9 | 72.6 | 0 | 0 | 122.6 | | |
| 145 | S | 38.1 | Very low | 32.3 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -55.4 | 158.3 | 164.8 | -31.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 146 | P | 36.2 | Very low | 32.6 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | | -151.9 | 160.9 | 97.2 | 39.6 | -23.6 | 0 | 0 | 0 | 117.4 | | |
| 147 | R | 27.5 | Very low | 32.9 | Very low | 234 Ų | 234 | 135.6 Ų | 135.6 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | 65 | 130.8 | 148.8 | -68.2 | 159.3 | -171.5 | -149.3 | 0.1 | 120.3 | | |
| 148 | C | 33.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -73.2 | 158.8 | 152.6 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 149 | P | 40.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | | | | -138.2 | 154.1 | 120.8 | 38.1 | -28.4 | 0 | 0 | 0 | 113.9 | | |
| 150 | P | 40.5 | Very low | 33.6 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | | | trans | -95.5 | 155.7 | 163.4 | 37.8 | -32.1 | 0 | 0 | 0 | 112.2 | | |
| 151 | D | 33.3 | Very low | 33.5 | Very low | 172 Ų | 172 | 127.8 Ų | 127.8 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | | | trans | 172.1 | 161.4 | 140.3 | -97.1 | -22.7 | 0 | 0 | 0 | 112.8 | | |
| 152 | G | 32.7 | Very low | 33.4 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | trans | 78.4 | 102.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 153 | A | 33.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | | | cis | 81.4 | 92.4 | 27.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 154 | A | 34.5 | Very low | 33.8 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -177.2 | 148.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 155 | V | 33.9 | Very low | 34.1 | Very low | 119 Ų | 119 | 129.2 Ų | 129.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -168.6 | 145 | -24.9 | 104.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 156 | H | 35.7 | Very low | 33.8 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | | | trans | 68.9 | 156.1 | 157.1 | -72.8 | -150 | 0 | 0 | 0 | 119.2 | | |
| 157 | E | 32.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 66% | 0.659 | 77% | 0.766 | S | S | * | * | | | cis | -161.2 | 168.3 | -1.3 | -122.5 | 169.2 | -175 | 0 | 0 | 115.6 | | |
| 158 | I | 36.7 | Very low | 33.7 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | 62.2 | 89.6 | 149.4 | -63.4 | 156.2 | 0 | 0 | 0 | 120.6 | | |
| 159 | S | 32 | Very low | 33.5 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | 26.3 | 168.1 | 98.3 | -53 | 0 | 0 | 0 | 0 | 122 | | |
| 160 | P | 37.9 | Very low | 33 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | cis | -144.8 | -167.8 | -47.9 | 42.6 | -24.6 | 0 | 0 | 0 | 114.7 | | |
| 161 | S | 33.7 | Very low | 32.5 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | 91.5 | 117.8 | 140.2 | 71.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 162 | N | 28.1 | Very low | 32.3 | Very low | 152 Ų | 152 | 130.3 Ų | 130.3 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | 30 | 120.2 | 131.9 | -56.4 | -24.6 | 0 | 0 | 0 | 121.4 | | |
| 163 | L | 32.7 | Very low | 32.2 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 95% | 0.948 | 75% | 0.75 | S | S | * | * | | | | -147.7 | -178.6 | 124.3 | -139.7 | 73.2 | 0 | 0 | 0 | 111.4 | | |
| 164 | S | 30.4 | Very low | 32 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 74% | 0.739 | S | S | * | * | | | trans | -136.3 | 165.4 | -160.9 | 64.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 165 | K | 33.4 | Very low | 32 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | 91.9 | 116.6 | 160.8 | -59 | 165.7 | -176.9 | 175.8 | 0 | 119.3 | | |
| 166 | S | 30.5 | Very low | 31.9 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | | 82.5 | 151.2 | 126.6 | 71.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 167 | N | 31.7 | Very low | 31.7 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | | | trans | 81.8 | 78.8 | 159.7 | -58.1 | -24.9 | 0 | 0 | 0 | 120.1 | | |
| 168 | K | 29.6 | Very low | 31.7 | Very low | 195 Ų | 195 | 144.8 Ų | 144.8 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | | | | 53 | 145.9 | 120.7 | -68.1 | -178.1 | 174.6 | -178.2 | 0 | 121.8 | | |
| 169 | S | 29 | Very low | 31.6 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | trans | 88.6 | 122.2 | 153.8 | 87.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 170 | V | 29.9 | Very low | 31.7 | Very low | 130 Ų | 130 | 152.5 Ų | 152.5 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | | 83.4 | 122.4 | 85.1 | 164.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 171 | I | 30 | Very low | 31.5 | Very low | 125 Ų | 125 | 153.3 Ų | 153.3 | 64% | 0.641 | 78% | 0.779 | S | S | * | * | | | cis | -120.4 | -175.8 | 0.7 | 4 | -177.6 | 0 | 0 | 0 | 109.3 | | |
| 172 | Y | 29.3 | Very low | 31.5 | Very low | 204 Ų | 204 | 153.7 Ų | 153.7 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | cis | -145.3 | 161.6 | 31.2 | -95.4 | -87.4 | 0 | 0 | 0 | 113.4 | | |
| 173 | E | 31.1 | Very low | 31.9 | Very low | 154 Ų | 154 | 150 Ų | 150 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | -124 | -179.9 | 152.5 | -70.5 | -166.4 | 146.3 | 0 | 0 | 109.2 | | |
| 174 | N | 29.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | | | trans | 69.6 | 96.7 | 150.8 | -57.5 | -36 | 0 | 0 | 0 | 118.8 | | |
| 175 | L | 33.7 | Very low | 32.3 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -128.7 | 12.3 | 154.6 | -96.1 | 177.1 | 0 | 0 | 0 | 114 | | |
| 176 | I | 32.6 | Very low | 32.3 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 83% | 0.826 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -117.8 | 72 | 168.1 | -52.9 | -179.9 | 0 | 0 | 0 | 108.3 | | |
| 177 | D | 30.9 | Very low | 32.4 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | | | trans | -170.4 | 76.5 | 155.6 | -102.9 | -19.8 | 0 | 0 | 0 | 109.3 | | |
| 178 | R | 32.7 | Very low | 32.2 | Very low | 227 Ų | 227 | 145.6 Ų | 145.6 | 86% | 0.857 | 71% | 0.711 | S | S | * | * | | | trans | -161.2 | 53.2 | 167.6 | -145.4 | -176.2 | -64.4 | 177.9 | 1.3 | 116.1 | | |
| 179 | Y | 33.9 | Very low | 32.2 | Very low | 233 Ų | 233 | 141.3 Ų | 141.3 | 91% | 0.914 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -151.6 | 128.2 | 151.6 | -93.9 | -68.7 | 0 | 0 | 0 | 109.6 | | |
| 180 | L | 34.8 | Very low | 32.3 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 71% | 0.705 | S | S | * | * | S | Bend | trans | 79.4 | 84.4 | -174.8 | -53.3 | 172.6 | 0 | 0 | 0 | 116.5 | | |
| 181 | L | 34.9 | Very low | 32.1 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 66% | 0.66 | 71% | 0.706 | S | S | * | * | | | | 167.7 | 159.9 | 128.8 | -88.4 | 159.7 | 0 | 0 | 0 | 110 | E183 T298 | L181-E183 WeakPolarHBondContact CD2-OE2 3.37Å; L181-T298 HydrophobicContact CB-CG2 3.94Å; L181-T298 HydrophobicContact CD2-CG2 4.03Å |
| 182 | M | 33.5 | Very low | 32.2 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 52% | 0.522 | 72% | 0.718 | S | S | . | * | | | trans | 70.9 | 97.8 | -155 | -59.7 | -176.5 | 69.3 | 0 | 0 | 113 | T296 D297 T298 | M182-T296 HydrophobicContact CE-CG2 4.32Å; M182-T296 HydrophobicContact SD-CG2 3.99Å; M182-D297 HydrophobicContact CE-CB 3.67Å; M182-D297 HydrophobicContact CG-CB 4.37Å; M182-D297 HydrophobicContact SD-CB 4.07Å; M182-T298 HydrophobicContact CB-CG2 4.33Å; M182-T298 HydrophobicContact CG-CG2 3.77Å |
| 183 | E | 36.4 | Very low | 32 | Very low | 74 Ų | 74 | 145.1 Ų | 145.1 | 35% | 0.346 | 72% | 0.717 | S | S | . | * | | | cis | 76.1 | 112.9 | 7.8 | -96.7 | -178.9 | -176.7 | 0 | 0 | 118.1 | L181 T298 N299 T300 | L181-E183 WeakPolarHBondContact CD2-OE2 3.37Å; E183-T298 HydrophobicContact CB-CG2 4.17Å; E183-N299 VanDerWaalsContact CB-O 3.3Å; E183-N299 WeakPolarHBondContact CB-O 3.17Å; E183-N299 VanDerWaalsContact CD-O 3.31Å; E183-N299 WeakPolarHBondContact CG-O 3.01Å; E183-T300 VanDerWaalsContact CD-CG2 3.43Å; E183-T300 HydrophobicContact CG-CG2 3.78Å; E183-T300 WeakPolarHBondContact OE1-CB 3.36Å; E183-T300 WeakPolarHBondContact OE1-CG2 3.37Å; E183-T300 PolarHBondContact OE1-OG1 2.97Å; E183-T300 PolarHBondContact OE2-OG1 2.85Å |
| 184 | H | 37 | Very low | 32.2 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 40% | 0.398 | 71% | 0.713 | S | S | . | * | | | trans | 66.6 | 145.9 | 177.4 | -76.7 | -123.1 | 0 | 0 | 0 | 116.2 | N299 | H184-N299 HydrophobicContact CB-CB 3.94Å; H184-N299 PolarHBondContact CD2-O 3.45Å; H184-N299 VanDerWaalsContact CG-CB 3.5Å; H184-N299 PolarHBondContact NE2-O 3.39Å |
| 185 | D | 34.1 | Very low | 32.3 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | | | cis | -152.6 | 160.5 | 3.8 | -132.4 | -27.2 | 0 | 0 | 0 | 115.2 | | |
| 186 | N | 32.9 | Very low | 32 | Very low | 109 Ų | 109 | 142 Ų | 142 | 58% | 0.583 | 71% | 0.712 | S | S | * | * | | | trans | 56.6 | 116.3 | 152.5 | -66.3 | -50.6 | 0 | 0 | 0 | 123.7 | | |
| 187 | H | 32.1 | Very low | 32 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | | 61.6 | 152.4 | 126.2 | -64.7 | -50.8 | 0 | 0 | 0 | 121.4 | | |
| 188 | L | 28.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | | | cis | -149.2 | 159.8 | 3.4 | -156.1 | 64.9 | 0 | 0 | 0 | 111.5 | | |
| 189 | T | 28.8 | Very low | 31.9 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 64% | 0.644 | 70% | 0.704 | S | S | * | * | | | trans | -9.6 | 143.8 | 162.6 | 62.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 190 | K | 31.8 | Very low | 31.6 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | | | | -161.9 | 171.9 | 71.8 | -94.7 | -172.9 | -179.1 | 178.3 | 0 | 115.8 | | |
| 191 | E | 26.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 127.8 Ų | 127.8 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | | | trans | -52.6 | 146.7 | 177.4 | -53.2 | 160.8 | 112 | 0 | 0 | 114.7 | | |
| 192 | I | 30.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 126.9 Ų | 126.9 | 89% | 0.887 | 69% | 0.691 | S | S | * | * | | | | -156.8 | 142.3 | 128.2 | -100.7 | 151.8 | 0 | 0 | 0 | 108.1 | | |
| 193 | S | 26.4 | Very low | 30.9 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | trans | -97.4 | 175.2 | -177.8 | -127.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 194 | P | 35.4 | Very low | 30.7 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | | | trans | -87.1 | 155.8 | -137.5 | 35.5 | -39.7 | 0 | 0 | 0 | 114.7 | | |
| 195 | Q | 30.9 | Very low | 30.3 | Very low | 190 Ų | 190 | 131.8 Ų | 131.8 | 89% | 0.888 | 74% | 0.737 | S | S | * | * | | | trans | -170.7 | 140.9 | 136.8 | -107.6 | 146.8 | 101.6 | 0 | 0 | 114.6 | | |
| 196 | S | 28.6 | Very low | 30.1 | Very low | 93 Ų | 93 | 132.8 Ų | 132.8 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | trans | 35.6 | 103.6 | 138.9 | 178.8 | 0 | 0 | 0 | 0 | 119.6 | V198 | S196-V198 WeakPolarHBondContact OG-CG2 3.39Š|
| 197 | L | 31.2 | Very low | 29.9 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -109.7 | 109.1 | 137.1 | -115.3 | 170.9 | 0 | 0 | 0 | 108.2 | | |
| 198 | V | 29.4 | Very low | 29.8 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | | | trans | -107.6 | 123.5 | -177.9 | 165.7 | 0 | 0 | 0 | 0 | 109.1 | S196 T200 | S196-V198 WeakPolarHBondContact OG-CG2 3.39Å; V198-T200 HydrophobicContact CG1-CG2 3.69Å |
| 199 | T | 32 | Very low | 30 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | -109.2 | 92 | 165.7 | -54.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 200 | T | 28.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | trans | -81 | 118.1 | 173.8 | 36.4 | 0 | 0 | 0 | 0 | 111.5 | V198 | V198-T200 HydrophobicContact CG1-CG2 3.69Š|
| 201 | C | 31.7 | Very low | 30.5 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | | | trans | -111.3 | 113.9 | 155.7 | -63.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 202 | T | 29.7 | Very low | 30.8 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | | | trans | -103.3 | 152.5 | -168.3 | 50.2 | 0 | 0 | 0 | 0 | 113 | | |
| 203 | V | 27.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 128 Ų | 128 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | | | trans | 58.4 | 130.2 | 162.7 | -61.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 204 | N | 31.8 | Very low | 31.1 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | | -153.9 | 164.5 | 51.9 | -95.2 | -55.6 | 0 | 0 | 0 | 114.9 | | |
| 205 | S | 28.2 | Very low | 30.9 | Very low | 99 Ų | 99 | 132.8 Ų | 132.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -36.4 | 148.2 | 165.9 | 54.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 206 | V | 30.6 | Very low | 31.1 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | | -174.4 | 147.1 | 99.6 | 148.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 207 | T | 27.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | | | trans | -89.9 | 127.7 | 176.4 | -50.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 208 | T | 31.6 | Very low | 31.5 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 80% | 0.798 | 75% | 0.754 | S | S | * | * | | | trans | -147 | 134.9 | 161.2 | 42.3 | 0 | 0 | 0 | 0 | 113 | | |
| 209 | T | 32.3 | Very low | 31.6 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -92.8 | 144.9 | 168.2 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | T211 | T209-T211 PolarHBondContact O-N 3.34Å; T209-T211 VanDerWaalsContact O-N 3.15Å |
| 210 | P | 37.5 | Very low | 31.7 | Very low | 132 Ų | 132 | 128.6 Ų | 128.6 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | trans | -81.8 | 89.8 | 172.1 | 33 | -33 | 0 | 0 | 0 | 111.2 | | |
| 211 | T | 32.9 | Very low | 31.9 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | -98.6 | 122.9 | 161.7 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | T209 | T209-T211 PolarHBondContact O-N 3.34Å; T209-T211 VanDerWaalsContact O-N 3.15Å |
| 212 | F | 32.2 | Very low | 32.1 | Very low | 215 Ų | 215 | 131.9 Ų | 131.9 | 94% | 0.943 | 75% | 0.754 | S | S | * | * | | | trans | -65 | 143.9 | 169.6 | -91.1 | -98.1 | 0 | 0 | 0 | 110.4 | | |
| 213 | I | 32.1 | Very low | 32.4 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | | | trans | -109.7 | 123.8 | -171.6 | -64.3 | 168.6 | 0 | 0 | 0 | 109.3 | | |
| 214 | D | 31.6 | Very low | 32.8 | Very low | 169 Ų | 169 | 132.9 Ų | 132.9 | 90% | 0.904 | 76% | 0.755 | S | S | * | * | | | trans | -93.5 | 140.2 | 155.3 | -85.5 | -47.4 | 0 | 0 | 0 | 109.5 | | |
| 215 | N | 31.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 131.4 Ų | 131.4 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | trans | -106.2 | 125.3 | -176.8 | -72.3 | -58.1 | 0 | 0 | 0 | 111.7 | | |
| 216 | S | 36.2 | Very low | 33.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -178.1 | 110.1 | 136.1 | 28.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 217 | S | 34.7 | Very low | 33.8 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | | | trans | 45 | 132.2 | 133.9 | 62.2 | 0 | 0 | 0 | 0 | 124 | | |
| 218 | N | 32.6 | Very low | 34.3 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 75% | 0.749 | 75% | 0.75 | S | S | * | * | | | trans | 73.7 | 106.7 | 142.7 | -59.7 | 4.2 | 0 | 0 | 0 | 118.4 | | |
| 219 | T | 31 | Very low | 34.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | | 71.2 | 105.2 | 64.4 | 68.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 220 | N | 35.3 | Very low | 34.6 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | | 171.5 | 146.2 | 112.3 | -86.2 | -35.4 | 0 | 0 | 0 | 113.9 | | |
| 221 | N | 32.4 | Very low | 34.5 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -0.9 | 145.9 | 151.2 | -39.9 | -35.7 | 0 | 0 | 0 | 117.9 | | |
| 222 | H | 34.9 | Very low | 34.5 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 78% | 0.778 | 75% | 0.752 | S | S | * | * | | | | -170.7 | 149.6 | 58.8 | -145.1 | -98.9 | 0 | 0 | 0 | 113.8 | | |
| 223 | V | 36.8 | Very low | 34.6 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 62% | 0.624 | 74% | 0.741 | S | S | * | * | | | trans | 7.1 | 126.1 | 152.7 | 179.8 | 0 | 0 | 0 | 0 | 120 | | |
| 224 | N | 36.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | | -161.9 | 166.4 | 104.2 | -138 | -20.2 | 0 | 0 | 0 | 115.3 | | |
| 225 | N | 36.8 | Very low | 34.4 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | trans | -99.1 | 174.7 | -160 | -58.8 | -86.4 | 0 | 0 | 0 | 114.9 | | |
| 226 | N | 36.3 | Very low | 34.3 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 84% | 0.84 | 74% | 0.744 | S | S | * | * | | | trans | 77.4 | 145.6 | 157.4 | -55.4 | -33.2 | 0 | 0 | 0 | 117.7 | | |
| 227 | A | 37.5 | Very low | 34.2 | Very low | 80 Ų | 80 | 137.3 Ų | 137.3 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | cis | -168.4 | 171.2 | -19.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 228 | K | 38.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 141 Ų | 141 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | | | trans | 73.1 | 138.8 | 167.9 | -61.2 | -169.9 | 178.7 | -177.5 | 0 | 116.6 | | |
| 229 | D | 35.4 | Very low | 34 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | cis | -137 | 147.5 | -7.9 | -91.1 | -38.5 | 0 | 0 | 0 | 111.4 | | |
| 230 | I | 34 | Very low | 34 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | | | trans | -120 | 128.4 | 168.6 | -65.7 | 169.9 | 0 | 0 | 0 | 106.5 | | |
| 231 | M | 35.4 | Very low | 33.9 | Very low | 184 Ų | 184 | 139.1 Ų | 139.1 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | | | trans | -144.4 | 109.6 | 163.2 | -156.5 | 165.5 | -68.3 | 0 | 0 | 111.9 | | |
| 232 | T | 33.6 | Very low | 33.8 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | | | trans | -93.3 | 169.1 | 167.5 | 42.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 233 | H | 34 | Very low | 33.7 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | | | trans | 88.5 | 110.6 | 163.5 | -52.1 | -72.3 | 0 | 0 | 0 | 120.6 | | |
| 234 | R | 27.1 | Very low | 33.4 | Very low | 229 Ų | 229 | 138.7 Ų | 138.7 | 86% | 0.864 | 73% | 0.734 | S | S | * | * | | | | 70.3 | 179 | 128.7 | -72.9 | -177.8 | 164 | 151.4 | -4.4 | 118.4 | | |
| 235 | V | 31.9 | Very low | 33.1 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | trans | 74.3 | 97.4 | -173.5 | -168.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 236 | S | 30 | Very low | 32.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | | | | 66.1 | 137.9 | 88 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 237 | T | 34.3 | Very low | 32.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | | | cis | -140.2 | 156.7 | 39.5 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 238 | Q | 32.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 71% | 0.714 | S | S | * | * | | | | 48.5 | 143.9 | 101.7 | -38.5 | 170.6 | -6.3 | 0 | 0 | 115 | | |
| 239 | S | 30.2 | Very low | 31.8 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 62% | 0.622 | 70% | 0.697 | S | S | * | * | | | cis | -158.3 | 141.3 | 21.1 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 240 | T | 30.6 | Very low | 31.4 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | | | trans | 60.4 | 170.2 | 140.2 | 60.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 241 | Q | 33.9 | Very low | 31.1 | Very low | 142 Ų | 142 | 126 Ų | 126 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | | | cis | -153.5 | 128.2 | 13.2 | -170.3 | 64.7 | 26.9 | 0 | 0 | 108 | | |
| 242 | T | 31 | Very low | 30.8 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | | | trans | 57.8 | 152.4 | 148.7 | 61.6 | 0 | 0 | 0 | 0 | 121 | | |
| 243 | N | 33 | Very low | 30.5 | Very low | 125 Ų | 125 | 123.7 Ų | 123.7 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | | | cis | -156.9 | 165.2 | -7.4 | -108.8 | -5.4 | 0 | 0 | 0 | 110.5 | | |
| 244 | F | 29 | Very low | 30.2 | Very low | 170 Ų | 170 | 123.2 Ų | 123.2 | 75% | 0.746 | 68% | 0.68 | S | S | * | * | | | trans | -2.6 | 150 | 141.7 | -57.6 | -79 | 0 | 0 | 0 | 118.4 | | |
| 245 | D | 31.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | | | cis | -166.7 | 175.3 | 27.4 | -137.1 | -22 | 0 | 0 | 0 | 114.5 | | |
| 246 | I | 31.4 | Very low | 30.1 | Very low | 125 Ų | 125 | 120 Ų | 120 | 64% | 0.641 | 67% | 0.67 | S | S | * | * | | | trans | 61.9 | 136.2 | 146.5 | -72.6 | 162.2 | 0 | 0 | 0 | 119 | | |
| 247 | M | 29.6 | Very low | 30 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 66% | 0.655 | 66% | 0.664 | S | S | * | * | | | cis | -154.7 | 159.5 | -15.2 | -121 | -167.4 | -69.6 | 0 | 0 | 110.8 | V249 | M247-V249 HydrophobicContact SD-CG2 4.49Š|
| 248 | T | 29.1 | Very low | 29.7 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | | | trans | -107.2 | 138.8 | 159.6 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | G22 T24 T250 | G22-T248 VanDerWaalsContact O-CG2 3.31Å; G22-T248 WeakPolarHBondContact O-CG2 3.44Å; T24-T248 WeakPolarHBondContact OG1-CG2 3.34Å; T248-T250 WeakPolarHBondContact CG2-OG1 3.33Å |
| 249 | V | 30.5 | Very low | 29.5 | Very low | 76 Ų | 76 | 119 Ų | 119 | 46% | 0.461 | 66% | 0.664 | S | S | . | * | | | trans | -130 | 55.7 | 179 | -164.7 | 0 | 0 | 0 | 0 | 110.5 | T24 M247 | T24-V249 VanDerWaalsContact CB-C 3.42Å; T24-V249 WeakPolarHBondContact CB-O 3.28Å; T24-V249 WeakPolarHBondContact CG2-O 3.45Å; T24-V249 WeakPolarHBondContact OG1-CA 3.31Å; T24-V249 PolarHBondContact OG1-N 2.95Å; T24-V249 PolarHBondContact OG1-O 3.06Å; M247-V249 HydrophobicContact SD-CG2 4.49Å |
| 250 | T | 27.8 | Very low | 29.5 | Very low | 74 Ų | 74 | 118.7 Ų | 118.7 | 45% | 0.454 | 66% | 0.662 | S | S | . | * | | | trans | -61 | 165.2 | 168.6 | -44.7 | 0 | 0 | 0 | 0 | 109 | T24 T248 | T24-T250 PolarHBondContact OG1-N 3.31Å; T248-T250 WeakPolarHBondContact CG2-OG1 3.33Å |
| 251 | S | 27.7 | Very low | 29.4 | Very low | 93 Ų | 93 | 119 Ų | 119 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | | | trans | 76.8 | 121.9 | 165.1 | 82 | 0 | 0 | 0 | 0 | 115 | | |
| 252 | T | 27.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 117 Ų | 117 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | | | | 88.4 | 100.5 | 95.3 | 57.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 253 | S | 28.2 | Very low | 29.1 | Very low | 106 Ų | 106 | 118.6 Ų | 118.6 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | | | trans | -145.2 | 132.5 | 142.5 | 56 | 0 | 0 | 0 | 0 | 105.7 | | |
| 254 | L | 28.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 117.4 Ų | 117.4 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | | | | 53.7 | 129.8 | 59.9 | -52.7 | 166.4 | 0 | 0 | 0 | 108.2 | | |
| 255 | L | 26.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | | | cis | 171.6 | 164.5 | 5.9 | -115.9 | 175.9 | 0 | 0 | 0 | 101.5 | | |
| 256 | H | 29 | Very low | 29.2 | Very low | 155 Ų | 155 | 115.6 Ų | 115.6 | 72% | 0.718 | 67% | 0.668 | S | S | * | * | | | trans | 64.9 | 153.7 | 177.4 | -71.6 | -126.5 | 0 | 0 | 0 | 114.7 | | |
| 257 | D | 28.7 | Very low | 29 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 62% | 0.62 | 68% | 0.676 | S | S | * | * | | | cis | -145.1 | 149.4 | -4.1 | -125.9 | -31.7 | 0 | 0 | 0 | 113.1 | | |
| 258 | S | 27.9 | Very low | 29 | Very low | 91 Ų | 91 | 117.2 Ų | 117.2 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | | | | 25.1 | 118.1 | 129.5 | -58.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 259 | L | 28.4 | Very low | 29.1 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 86% | 0.859 | 69% | 0.69 | S | S | * | * | | | | -168.6 | 170.9 | 57.3 | -127 | 67.3 | 0 | 0 | 0 | 107.8 | | |
| 260 | S | 30 | Very low | 29 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 58% | 0.58 | 70% | 0.701 | S | S | * | * | | | cis | -162.3 | 145.6 | 2.6 | 51.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 261 | T | 29 | Very low | 29 | Very low | 127 Ų | 127 | 125 Ų | 125 | 78% | 0.779 | 71% | 0.712 | S | S | * | * | | | trans | 51.2 | 138.2 | 146.1 | 55.5 | 0 | 0 | 0 | 0 | 121 | | |
| 262 | C | 29.2 | Very low | 29.2 | Very low | 98 Ų | 98 | 125 Ų | 125 | 66% | 0.662 | 71% | 0.712 | S | S | * | * | | | cis | -165.8 | 145.8 | 1.7 | 44.8 | 0 | 0 | 0 | 0 | 111 | | |
| 263 | D | 29.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 127.1 Ų | 127.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | 39.3 | 141.8 | 132.3 | -41.1 | -44.1 | 0 | 0 | 0 | 120.2 | | |
| 264 | S | 35.1 | Very low | 29.5 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | cis | -152.8 | 149.1 | 33.7 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 265 | N | 29.5 | Very low | 29.5 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 68% | 0.684 | 71% | 0.705 | S | S | * | * | | | | 45.3 | 134.7 | 78.9 | -53.6 | -46.7 | 0 | 0 | 0 | 113.5 | | |
| 266 | N | 30 | Very low | 29.6 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | | | cis | -154.4 | 152.7 | 7.4 | -106.4 | -35.9 | 0 | 0 | 0 | 107.6 | | |
| 267 | K | 27.9 | Very low | 29.7 | Very low | 184 Ų | 184 | 122.6 Ų | 122.6 | 80% | 0.8 | 71% | 0.706 | S | S | * | * | | | | 72.1 | 143.8 | 62.4 | -160.7 | -177 | -179.1 | -179.9 | 0 | 113.6 | | |
| 268 | S | 29.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | 73.7 | 152.6 | -171.8 | 77.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 269 | H | 31.3 | Very low | 29.9 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | cis | -144.7 | 153.6 | -7.4 | -127.2 | -151.2 | 0 | 0 | 0 | 106.9 | | |
| 270 | L | 27.2 | Very low | 30 | Very low | 131 Ų | 131 | 128 Ų | 128 | 69% | 0.686 | 72% | 0.721 | S | S | * | * | | | | 41 | 138.8 | 92.5 | -55.6 | -178.6 | 0 | 0 | 0 | 114.4 | | |
| 271 | T | 29.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | cis | -164.1 | 178.1 | 20.3 | -11.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 272 | S | 30.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | trans | 54.3 | 145.6 | 142.1 | 63.7 | 0 | 0 | 0 | 0 | 121.6 | | |
| 273 | E | 30.8 | Very low | 31.1 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | | | cis | -173.3 | 164.6 | -12.5 | -117 | 161.8 | 164.5 | 0 | 0 | 110 | | |
| 274 | S | 30.5 | Very low | 31.4 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | | | trans | 39.6 | 107.4 | 143.5 | 78.4 | 0 | 0 | 0 | 0 | 121 | | |
| 275 | T | 29.1 | Very low | 31.4 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | | 84.1 | 156 | 94.2 | 62.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 276 | N | 29.5 | Very low | 31.7 | Very low | 147 Ų | 147 | 135 Ų | 135 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | | | trans | 73.7 | 146.9 | 168.2 | -56.7 | -29.9 | 0 | 0 | 0 | 115 | | |
| 277 | S | 31.1 | Very low | 32 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | | | cis | -168.4 | 149.3 | -6.7 | 38 | 0 | 0 | 0 | 0 | 113.9 | | |
| 278 | Y | 28.7 | Very low | 32.3 | Very low | 217 Ų | 217 | 133.1 Ų | 133.1 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | | | trans | 59.5 | 138.3 | 143.7 | -77.4 | -61.9 | 0 | 0 | 0 | 124.8 | | |
| 279 | L | 31 | Very low | 32.7 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | | | trans | 85.1 | 126.4 | 138.7 | -79.8 | 162 | 0 | 0 | 0 | 122.4 | | |
| 280 | S | 31.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | | | trans | -91.5 | 170.8 | 173.2 | -31.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 281 | P | 39 | Very low | 33.3 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | | | | -135.9 | 144.6 | 105.3 | 15.2 | 6.5 | 0 | 0 | 0 | 113 | | |
| 282 | S | 34.7 | Very low | 33.8 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | | 60.6 | 139.1 | 78 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 283 | K | 37.7 | Very low | 33.9 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | | | cis | -165.4 | 148.9 | 44.7 | -74.9 | 176.6 | 178.4 | 164.8 | 0 | 113.8 | | |
| 284 | K | 36.4 | Very low | 34 | Very low | 180 Ų | 180 | 136.1 Ų | 136.1 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | | | trans | 70.4 | 148.3 | 132.5 | -76.1 | -168.8 | 173.2 | -161.9 | 0 | 121.7 | | |
| 285 | I | 34.8 | Very low | 34.3 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 65% | 0.646 | 75% | 0.752 | S | S | * | * | | | cis | -170.7 | 154.3 | -16.4 | -135.4 | 178.1 | 0 | 0 | 0 | 112 | | |
| 286 | V | 36.1 | Very low | 34.6 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | | | trans | 61 | 139.8 | 149.1 | 158.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 287 | N | 34.9 | Very low | 34.8 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | | | cis | -140.5 | 144.8 | -0 | -106.3 | -6.6 | 0 | 0 | 0 | 107.7 | | |
| 288 | I | 35.7 | Very low | 35 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | | | | 77.8 | 133.7 | 61.3 | -71.2 | 176.5 | 0 | 0 | 0 | 112.8 | | |
| 289 | P | 37.5 | Very low | 35.4 | Very low | 110 Ų | 110 | 127.6 Ų | 127.6 | 71% | 0.714 | 71% | 0.713 | S | S | * | * | | | | -132.7 | -167.5 | -127.4 | 45.4 | -31.5 | 0 | 0 | 0 | 114.7 | | |
| 290 | T | 35 | Very low | 35.8 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 90% | 0.896 | 70% | 0.696 | S | S | * | * | | | trans | -145.5 | 152.2 | 143 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 291 | Q | 34.8 | Very low | 36 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | | | trans | -93.1 | 167.1 | -168.6 | -103.2 | -165.5 | -26.2 | 0 | 0 | 116.1 | | |
| 292 | P | 40.1 | Very low | 36.1 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | | | trans | -104.2 | -174.4 | -179.2 | 42.9 | -36.1 | 0 | 0 | 0 | 113.6 | | |
| 293 | H | 32.7 | Very low | 37.1 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 89% | 0.889 | 70% | 0.704 | S | S | * | * | | | trans | -126.2 | 163.7 | 152.1 | -75.4 | -68.9 | 0 | 0 | 0 | 111.1 | | |
| 294 | S | 32.9 | Very low | 38 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | | | trans | -125 | -157 | -154.7 | 55.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 295 | P | 37.9 | Very low | 39.1 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 66% | 0.662 | 70% | 0.702 | S | S | * | * | | | cis | -144.9 | -174.4 | 0.8 | 37.3 | -13.1 | 0 | 0 | 0 | 118.7 | | |
| 296 | T | 34.8 | Very low | 40.2 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 58% | 0.577 | 71% | 0.708 | S | S | * | * | | | trans | 64.4 | 102 | 147.6 | 40.9 | 0 | 0 | 0 | 0 | 122.7 | M182 | M182-T296 HydrophobicContact CE-CG2 4.32Å; M182-T296 HydrophobicContact SD-CG2 3.99Å |
| 297 | D | 33.3 | Very low | 41.6 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | | | | 45.5 | 120.1 | 105.9 | -48.7 | -26.8 | 0 | 0 | 0 | 122 | M182 | M182-D297 HydrophobicContact CE-CB 3.67Å; M182-D297 HydrophobicContact CG-CB 4.37Å; M182-D297 HydrophobicContact SD-CB 4.07Å |
| 298 | T | 35.4 | Very low | 42.8 | Very low | 75 Ų | 75 | 127 Ų | 127 | 46% | 0.46 | 72% | 0.716 | S | S | . | * | | | | -156.7 | 145.3 | 126.5 | 13.1 | 0 | 0 | 0 | 0 | 111.2 | L181 M182 E183 | L181-T298 HydrophobicContact CB-CG2 3.94Å; L181-T298 HydrophobicContact CD2-CG2 4.03Å; M182-T298 HydrophobicContact CB-CG2 4.33Å; M182-T298 HydrophobicContact CG-CG2 3.77Å; E183-T298 HydrophobicContact CB-CG2 4.17Å |
| 299 | N | 37.1 | Very low | 43.4 | Very low | 99 Ų | 99 | 125.8 Ų | 125.8 | 53% | 0.529 | 72% | 0.718 | S | S | . | * | | | trans | -124.9 | 127.5 | 165.7 | -76.8 | -42.7 | 0 | 0 | 0 | 108.4 | E183 H184 | E183-N299 VanDerWaalsContact CB-O 3.3Å; E183-N299 WeakPolarHBondContact CB-O 3.17Å; E183-N299 VanDerWaalsContact CD-O 3.31Å; E183-N299 WeakPolarHBondContact CG-O 3.01Å; H184-N299 HydrophobicContact CB-CB 3.94Å; H184-N299 PolarHBondContact CD2-O 3.45Å; H184-N299 VanDerWaalsContact CG-CB 3.5Å; H184-N299 PolarHBondContact NE2-O 3.39Å |
| 300 | T | 40 | Very low | 43.6 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 51% | 0.509 | 72% | 0.722 | S | S | . | * | | | | -137.3 | 147.9 | 126.5 | 36 | 0 | 0 | 0 | 0 | 112.8 | E183 F302 | E183-T300 VanDerWaalsContact CD-CG2 3.43Å; E183-T300 HydrophobicContact CG-CG2 3.78Å; E183-T300 WeakPolarHBondContact OE1-CB 3.36Å; E183-T300 WeakPolarHBondContact OE1-CG2 3.37Å; E183-T300 PolarHBondContact OE1-OG1 2.97Å; E183-T300 PolarHBondContact OE2-OG1 2.85Å; T300-F302 PolarHBondContact O-N 3.04Å; T300-F302 VanDerWaalsContact O-N 3.07Å |
| 301 | W | 36.2 | Very low | 43.7 | Very low | 230 Ų | 230 | 131.7 Ų | 131.7 | 87% | 0.871 | 72% | 0.72 | S | S | * | * | | | trans | -48.4 | 89.9 | 169.8 | -150.7 | -58.3 | 0 | 0 | 0 | 115.5 | | |
| 302 | F | 40.2 | Very low | 43.6 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 83% | 0.829 | 71% | 0.714 | S | S | * | * | | | trans | -125.9 | 138.8 | 154.3 | -93.4 | -91.4 | 0 | 0 | 0 | 110.9 | T300 | T300-F302 PolarHBondContact O-N 3.04Å; T300-F302 VanDerWaalsContact O-N 3.07Å |
| 303 | P | 56.7 | Low | 43.3 | Very low | 106 Ų | 106 | 130 Ų | 130 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 155.2 | -175.8 | 29.9 | -35.7 | 0 | 0 | 0 | 113 | | |
| 304 | P | 55.2 | Low | 43.5 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 76% | 0.76 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 151.7 | -173.9 | 29.2 | -36.2 | 0 | 0 | 0 | 113.7 | | |
| 305 | P | 60.8 | Low | 43.4 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 151.9 | 176.9 | 31 | -35.6 | 0 | 0 | 0 | 112.8 | | |
| 306 | P | 57.7 | Low | 43.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 155 | 179 | 30.6 | -35.8 | 0 | 0 | 0 | 113.2 | | |
| 307 | P | 64.2 | Low | 42.9 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 156 | -176.4 | 29.7 | -36 | 0 | 0 | 0 | 114 | | |
| 308 | T | 59.9 | Low | 42.9 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 66% | 0.656 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 142.3 | -179.3 | 31.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 309 | P | 48.3 | Very low | 42.8 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -73 | 141.5 | 175 | -15.8 | 30.5 | 0 | 0 | 0 | 113 | | |
| 310 | L | 42.9 | Very low | 42.8 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 153.3 | 170.2 | -71.1 | 166.3 | 0 | 0 | 0 | 111.8 | | |
| 311 | R | 35.7 | Very low | 42.6 | Very low | 227 Ų | 227 | 139.3 Ų | 139.3 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | | | trans | -118.2 | 98.7 | 168.7 | -91.3 | -167.2 | 171.5 | -145.2 | -0.3 | 109.5 | | |
| 312 | D | 34.7 | Very low | 42.6 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | -97.5 | 150 | 167.5 | -66 | -55.4 | 0 | 0 | 0 | 111.5 | | |
| 313 | S | 32.9 | Very low | 42.4 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | 108.6 | 134.9 | 159.7 | -51.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 314 | I | 36.1 | Very low | 41.4 | Very low | 155 Ų | 155 | 136 Ų | 136 | 80% | 0.795 | 77% | 0.768 | S | S | * | * | | | cis | -155.7 | 159.2 | -18.6 | -117.4 | 154 | 0 | 0 | 0 | 106 | | |
| 315 | M | 32 | Very low | 40.6 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -124.9 | 141.3 | 177.2 | -149 | 172.8 | -174.5 | 0 | 0 | 110.7 | | |
| 316 | N | 33.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 137 Ų | 137 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | 70.7 | 129 | 177.9 | -48.3 | -29.4 | 0 | 0 | 0 | 113.8 | | |
| 317 | S | 28.2 | Very low | 38 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | cis | 72 | 133.4 | 46.8 | 89.4 | 0 | 0 | 0 | 0 | 112 | | |
| 318 | T | 33.2 | Very low | 36.7 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 69% | 0.693 | 76% | 0.758 | S | S | * | * | | | cis | -150.1 | -175.1 | 23.4 | 50.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 319 | N | 33.4 | Very low | 35.4 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | 72.6 | 155.1 | 168.7 | -71.1 | -73.4 | 0 | 0 | 0 | 117.9 | | |
| 320 | V | 37.3 | Very low | 34.8 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | cis | -174.5 | 136.1 | -40.2 | 125 | 0 | 0 | 0 | 0 | 107.1 | | |
| 321 | D | 35 | Very low | 34.4 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | | 164.7 | 179.2 | 119.3 | -147 | -13.3 | 0 | 0 | 0 | 112.2 | | |
| 322 | L | 36.3 | Very low | 34.4 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | | | trans | -110.8 | 131.9 | -156.1 | -66.7 | 154 | 0 | 0 | 0 | 115.2 | | |
| 323 | K | 36.4 | Very low | 34.2 | Very low | 214 Ų | 214 | 140.4 Ų | 140.4 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | | | | -179.8 | 142.8 | 128 | -99.3 | 159.1 | -175.1 | 174.9 | 0 | 113.2 | | |
| 324 | A | 35.6 | Very low | 34.1 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -104.5 | 175.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 325 | P | 39.4 | Very low | 34.1 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | | | cis | -127.3 | -165.7 | 41 | 12.7 | 14.8 | 0 | 0 | 0 | 113.3 | | |
| 326 | H | 29.6 | Very low | 34.3 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 59% | 0.593 | 74% | 0.735 | S | S | * | * | | | cis | 174 | 107.9 | -40.8 | 172.1 | 81.1 | 0 | 0 | 0 | 108.6 | H328 | H326-H328 AromaticContact CE1-CD2 3.65Å; H326-H328 AromaticContact CE1-CG 3.59Å; H326-H328 AromaticContact CE1-ND1 3.83Å; H326-H328 AromaticContact CE1-NE2 3.96Å; H326-H328 AromaticContact NE2-CD2 3.52Å; H326-H328 AromaticContact NE2-CG 3.65Å |
| 327 | Y | 34.5 | Very low | 34.4 | Very low | 234 Ų | 234 | 144.2 Ų | 144.2 | 92% | 0.918 | 74% | 0.74 | S | S | * | * | | | trans | -158.2 | 118.3 | 166.5 | -83.4 | -80.5 | 0 | 0 | 0 | 104.9 | | |
| 328 | H | 36.1 | Very low | 34.4 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | | | cis | 64.7 | 127.2 | 18.9 | -105.1 | 42 | 0 | 0 | 0 | 113.4 | H326 | H326-H328 AromaticContact CE1-CD2 3.65Å; H326-H328 AromaticContact CE1-CG 3.59Å; H326-H328 AromaticContact CE1-ND1 3.83Å; H326-H328 AromaticContact CE1-NE2 3.96Å; H326-H328 AromaticContact NE2-CD2 3.52Å; H326-H328 AromaticContact NE2-CG 3.65Å |
| 329 | E | 32 | Very low | 34.4 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 51% | 0.505 | 74% | 0.741 | S | S | . | * | | | cis | -151.2 | -169.4 | -15.2 | -135.7 | -156.4 | -150.1 | 0 | 0 | 108.5 | C331 | E329-C331 PolarHBondContact OE1-SG 3.15Å; E329-C331 VanDerWaalsContact OE2-CB 3.3Å; E329-C331 WeakPolarHBondContact OE2-CB 3.5Å; E329-C331 PolarHBondContact OE2-SG 3.02Å |
| 330 | H | 36.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | cis | -120.3 | 167.4 | 17 | -66.2 | -62.8 | 0 | 0 | 0 | 111.2 | | |
| 331 | C | 35.5 | Very low | 33.9 | Very low | 75 Ų | 75 | 145.3 Ų | 145.3 | 51% | 0.507 | 74% | 0.737 | S | S | . | * | | | cis | 77.3 | 101.9 | 37.9 | -75.6 | 0 | 0 | 0 | 0 | 114.6 | E329 | E329-C331 PolarHBondContact OE1-SG 3.15Å; E329-C331 VanDerWaalsContact OE2-CB 3.3Å; E329-C331 WeakPolarHBondContact OE2-CB 3.5Å; E329-C331 PolarHBondContact OE2-SG 3.02Å |
| 332 | R | 34.8 | Very low | 33.6 | Very low | 230 Ų | 230 | 144.3 Ų | 144.3 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | | 67.3 | 110.6 | 80.2 | -77.3 | -172.9 | 176.9 | 175 | 1.6 | 113 | D334 | R332-D334 PolarHBondContact O-N 2.97Š|
| 333 | P | 30.2 | Very low | 33.5 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -95 | 84.7 | 178.3 | 36.1 | -32.4 | 0 | 0 | 0 | 112.9 | | |
| 334 | D | 30.7 | Very low | 33.3 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | -166.6 | 159.7 | 149.7 | -102 | -39.4 | 0 | 0 | 0 | 110.4 | R332 R764 | R332-D334 PolarHBondContact O-N 2.97Å; D334-R764 IonicContact OD1-NH2 3.68Å |
| 335 | E | 37.2 | Very low | 33.2 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 83% | 0.832 | 71% | 0.714 | S | S | * | * | | | trans | 74.6 | 74.7 | 171.3 | -51.3 | -153 | 131.6 | 0 | 0 | 121.3 | | |
| 336 | V | 36 | Very low | 33 | Very low | 119 Ų | 119 | 141 Ų | 141 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | | | | 61.3 | 116.4 | 113.9 | 176.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 337 | R | 34.1 | Very low | 33.3 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 77% | 0.774 | 71% | 0.709 | S | S | * | * | | | trans | 68 | 159 | 152.3 | -77.1 | 174.2 | 164 | 154.7 | -9.4 | 117.5 | | |
| 338 | S | 29.8 | Very low | 33.1 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | | | cis | -175.7 | 160.7 | -20.3 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 339 | L | 31.7 | Very low | 33.1 | Very low | 151 Ų | 151 | 135.8 Ų | 135.8 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | | | trans | 73.6 | 158.2 | 166.2 | -61.8 | 125.7 | 0 | 0 | 0 | 117.6 | | |
| 340 | V | 29.6 | Very low | 33 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | | | cis | -174.9 | 157.9 | -41.9 | 100 | 0 | 0 | 0 | 0 | 108.5 | | |
| 341 | M | 30.7 | Very low | 32.9 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | | | trans | 68.8 | 148.2 | 162.9 | -89.5 | 33.5 | 170.6 | 0 | 0 | 116.9 | | |
| 342 | D | 29.8 | Very low | 32.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | | | cis | -164.6 | -176.3 | -7.1 | -144.1 | -12 | 0 | 0 | 0 | 111.6 | | |
| 343 | K | 34.5 | Very low | 32.5 | Very low | 174 Ų | 174 | 134.2 Ų | 134.2 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | | | trans | 85.4 | 139.8 | 158.8 | -46.3 | -152.1 | 177 | -176.8 | 0 | 117.1 | | |
| 344 | I | 32.5 | Very low | 32.5 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | | | cis | -155.2 | 151.5 | -1.8 | -127.8 | 170.8 | 0 | 0 | 0 | 112.4 | | |
| 345 | S | 33.4 | Very low | 32.4 | Very low | 93 Ų | 93 | 135 Ų | 135 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | | | trans | 63.8 | 149.1 | 159 | -75.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 346 | D | 33.7 | Very low | 32 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 58% | 0.583 | 72% | 0.716 | S | S | * | * | | | cis | -154.8 | 159.8 | -0.7 | -129 | 25.1 | 0 | 0 | 0 | 113.6 | | |
| 347 | K | 36.5 | Very low | 31.5 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 73% | 0.726 | 72% | 0.717 | S | S | * | * | | | trans | 63.3 | 102 | 158.9 | -67 | 158.9 | 179.9 | 115.9 | 0 | 116.4 | | |
| 348 | S | 30.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | | | | 71.3 | 137.8 | 69.1 | 78.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 349 | S | 35.6 | Very low | 31.1 | Very low | 98 Ų | 98 | 130 Ų | 130 | 69% | 0.685 | 72% | 0.722 | S | S | * | * | | | cis | -150.3 | 145.2 | 18.5 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 350 | N | 29.9 | Very low | 30.8 | Very low | 148 Ų | 148 | 129.8 Ų | 129.8 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | 17.1 | 129.9 | 134.9 | -47.2 | -19.2 | 0 | 0 | 0 | 118.7 | | |
| 351 | I | 34.7 | Very low | 30.7 | Very low | 155 Ų | 155 | 129.5 Ų | 129.5 | 80% | 0.795 | 72% | 0.723 | S | S | * | * | | | | -155.1 | 110.4 | 123.8 | -105.6 | 154 | 0 | 0 | 0 | 109.7 | | |
| 352 | I | 32.4 | Very low | 30.6 | Very low | 135 Ų | 135 | 130 Ų | 130 | 69% | 0.692 | 72% | 0.723 | S | S | * | * | | | trans | 61.7 | 100.2 | 130 | -66.6 | 174.3 | 0 | 0 | 0 | 116.2 | | |
| 353 | T | 29.7 | Very low | 30.5 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 67% | 0.669 | 72% | 0.724 | S | S | * | * | | | | 63.3 | 142.5 | 81.1 | 67 | 0 | 0 | 0 | 0 | 113.8 | | |
| 354 | N | 30.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 128.6 Ų | 128.6 | 67% | 0.674 | 72% | 0.723 | S | S | * | * | | | cis | -144.4 | 148.8 | 19 | -96.8 | -38 | 0 | 0 | 0 | 109.3 | | |
| 355 | L | 28.3 | Very low | 29.8 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | | | | 67.7 | 145.9 | 73.1 | -64.7 | -174.9 | 0 | 0 | 0 | 116.8 | | |
| 356 | N | 27.9 | Very low | 29.7 | Very low | 147 Ų | 147 | 127.5 Ų | 127.5 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | | | trans | 72.2 | 129.3 | 179.8 | -64.2 | -9.4 | 0 | 0 | 0 | 117.4 | | |
| 357 | V | 25.8 | Very low | 29.8 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | | | cis | 95.9 | 123.2 | 23.6 | -179.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 358 | S | 25.6 | Very low | 29.5 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | | | trans | 56 | 108.3 | 162.7 | 64.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 359 | S | 30.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -162.9 | 135.6 | 133.6 | -84.2 | 0 | 0 | 0 | 0 | 106.1 | | |
| 360 | I | 25.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | cis | 72 | 142.2 | 36.9 | -50.5 | 176.7 | 0 | 0 | 0 | 111.5 | | |
| 361 | S | 28.1 | Very low | 29.6 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | 81.2 | 129 | -157.3 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 362 | E | 28.1 | Very low | 29.3 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | | | cis | 78.7 | 144.4 | 37.2 | -61.7 | 176.1 | -158.6 | 0 | 0 | 113.4 | | |
| 363 | L | 28 | Very low | 29.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | | | cis | -164.8 | 158.2 | -11.5 | -113.7 | 168.4 | 0 | 0 | 0 | 108.5 | | |
| 364 | N | 27.2 | Very low | 29.5 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 64.7 | 161.6 | 162.8 | -60.6 | -34.7 | 0 | 0 | 0 | 115.9 | | |
| 365 | C | 26 | Very low | 29.9 | Very low | 106 Ų | 106 | 124.6 Ų | 124.6 | 72% | 0.716 | 74% | 0.744 | S | S | * | * | | | cis | -157.4 | 141.9 | 24.7 | -155.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 366 | S | 29.9 | Very low | 30 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | | | trans | 59.7 | 149.5 | 145 | -65.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 367 | T | 35.3 | Very low | 30.3 | Very low | 138 Ų | 138 | 124 Ų | 124 | 85% | 0.847 | 75% | 0.745 | S | S | * | * | | | cis | -139.6 | 151.2 | 35.3 | -58 | 0 | 0 | 0 | 0 | 113.4 | | |
| 368 | Q | 31.2 | Very low | 30.7 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | | | trans | -92 | 164.4 | -178.2 | -56.5 | -179.5 | 7.5 | 0 | 0 | 113.6 | | |
| 369 | I | 35.1 | Very low | 31.2 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | | | trans | 176.8 | 112.5 | 136.2 | -88.8 | 150.1 | 0 | 0 | 0 | 104.5 | | |
| 370 | S | 32.2 | Very low | 31.4 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | | | | 74.6 | 135.5 | 51.4 | -55.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 371 | T | 29.5 | Very low | 31.8 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | cis | -166.3 | 153.4 | -15.4 | 21.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 372 | S | 28.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | 41.1 | 118.1 | 149.3 | 64 | 0 | 0 | 0 | 0 | 122.4 | | |
| 373 | V | 36.7 | Very low | 32.8 | Very low | 149 Ų | 149 | 132 Ų | 132 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | | | | 179.8 | 164.1 | 124.2 | -90.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 374 | A | 30.9 | Very low | 33.4 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 78% | 0.777 | S | S | * | * | | | cis | -179.9 | 164.8 | -37.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 375 | S | 37 | Very low | 34.7 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | 70.8 | 121.7 | 176.3 | -51.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 376 | I | 30.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | | | cis | 68.2 | 115.3 | 41.2 | -43.7 | 159.8 | 0 | 0 | 0 | 109.3 | | |
| 377 | T | 35.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | | -144.2 | 165.9 | 62.3 | 41.2 | 0 | 0 | 0 | 0 | 116.5 | | |
| 378 | N | 32.6 | Very low | 38.7 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | | | trans | -69.9 | 154.7 | 178.4 | -42.2 | -87.1 | 0 | 0 | 0 | 115.1 | | |
| 379 | L | 37.3 | Very low | 40.3 | Very low | 179 Ų | 179 | 129 Ų | 129 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | | | | -143.4 | 151 | 119 | -84.7 | -170.7 | 0 | 0 | 0 | 110 | | |
| 380 | K | 34.2 | Very low | 41.6 | Very low | 192 Ų | 192 | 129.1 Ų | 129.1 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -147.1 | 114.9 | -165.7 | 173.8 | -177.5 | 173.9 | 179.9 | 0 | 112.9 | | |
| 381 | L | 34.1 | Very low | 42.9 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | | | trans | -154.9 | 148.5 | 157.7 | -77.1 | 106.4 | 0 | 0 | 0 | 107.6 | | |
| 382 | S | 34.9 | Very low | 44.3 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | cis | -162.2 | 105.3 | -25.2 | -173.8 | 0 | 0 | 0 | 0 | 106 | | |
| 383 | S | 41 | Very low | 45.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 125.1 | -172.6 | 54.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 384 | S | 42.4 | Very low | 46.4 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 147.7 | 169.5 | 43.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 385 | P | 54.4 | Low | 48.2 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147.7 | -175.7 | 30.4 | -35.2 | 0 | 0 | 0 | 112.2 | | |
| 386 | P | 54.2 | Low | 49.7 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 138.5 | 175.8 | 30.1 | -34.4 | 0 | 0 | 0 | 111.8 | | |
| 387 | T | 58.2 | Low | 50.9 | Low | 131 Ų | 131 | 133.5 Ų | 133.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 136.2 | 177.7 | -46 | 0 | 0 | 0 | 0 | 111.6 | | |
| 388 | P | 62.2 | Low | 52.2 | Low | 104 Ų | 104 | 137 Ų | 137 | 68% | 0.675 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 152.4 | 178.2 | 27.7 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 389 | P | 65.4 | Low | 53.8 | Low | 128 Ų | 128 | 135.3 Ų | 135.3 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 138.2 | -179.6 | 29.1 | -34.9 | 0 | 0 | 0 | 112 | | |
| 390 | L | 62.6 | Low | 54.6 | Low | 164 Ų | 164 | 132.4 Ų | 132.4 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 148.6 | 175.5 | -70.8 | 170.8 | 0 | 0 | 0 | 111.6 | | |
| 391 | P | 57.7 | Low | 55.8 | Low | 116 Ų | 116 | 127.9 Ų | 127.9 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67 | 148.7 | -179.1 | 28.2 | -35.4 | 0 | 0 | 0 | 112.4 | | |
| 392 | L | 59.9 | Low | 57.2 | Low | 170 Ų | 170 | 125.9 Ų | 125.9 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 137.5 | 178.3 | -73.1 | 122.9 | 0 | 0 | 0 | 111.6 | | |
| 393 | P | 60.8 | Low | 58.7 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.3 | 173.8 | 28.6 | -34.3 | 0 | 0 | 0 | 111 | | |
| 394 | S | 49 | Very low | 59.6 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 147.6 | -179.2 | 41 | 0 | 0 | 0 | 0 | 112.8 | | |
| 395 | S | 67.3 | Low | 59.8 | Low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.3 | -177 | 39.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 396 | P | 69.5 | Low | 59.5 | Low | 115 Ų | 115 | 132.7 Ų | 132.7 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 151.2 | 179 | 29.1 | -35 | 0 | 0 | 0 | 111.8 | | |
| 397 | P | 56.5 | Low | 59.4 | Low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 141.4 | -177.9 | 26.9 | -34.8 | 0 | 0 | 0 | 112.2 | | |
| 398 | R | 61.6 | Low | 59.2 | Low | 209 Ų | 209 | 130 Ų | 130 | 79% | 0.789 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 131.7 | -179.9 | -171.4 | 176.1 | -174.4 | -108.8 | 4.8 | 110.6 | | |
| 399 | P | 65.8 | Low | 58.7 | Low | 103 Ų | 103 | 129.8 Ų | 129.8 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 149.8 | 175.5 | 27.2 | -34.6 | 0 | 0 | 0 | 111.3 | | |
| 400 | P | 55.3 | Low | 57.6 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.3 | -178.5 | 27.3 | -34.7 | 0 | 0 | 0 | 111.8 | V402 | P400-V402 PolarHBondContact O-N 3.44Å; P400-V402 VanDerWaalsContact O-N 3.14Å |
| 401 | S | 60.1 | Low | 56.6 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 75% | 0.753 | S | S | * | * | | | trans | -65.3 | 110.1 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 402 | V | 62.6 | Low | 55.8 | Low | 132 Ų | 132 | 131.1 Ų | 131.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 126.2 | 168.1 | -179 | 0 | 0 | 0 | 0 | 108.4 | P400 | P400-V402 PolarHBondContact O-N 3.44Å; P400-V402 VanDerWaalsContact O-N 3.14Å |
| 403 | P | 65.4 | Low | 54.7 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 150.4 | 178.9 | 27.6 | -34.4 | 0 | 0 | 0 | 111.6 | R405 | P403-R405 PolarHBondContact O-N 3.42Š|
| 404 | P | 60.4 | Low | 53.4 | Low | 127 Ų | 127 | 134.8 Ų | 134.8 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -58 | 134.1 | 177.4 | -23.5 | 33.9 | 0 | 0 | 0 | 112 | H406 | P404-H406 PolarHBondContact O-N 3.37Š|
| 405 | R | 46 | Very low | 53 | Low | 231 Ų | 231 | 136 Ų | 136 | 87% | 0.872 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 130.8 | 171.4 | -80.5 | -171.9 | 172.2 | -168.2 | -2.5 | 109.9 | P403 | P403-R405 PolarHBondContact O-N 3.42Š|
| 406 | H | 49 | Very low | 51.3 | Low | 139 Ų | 139 | 137.5 Ų | 137.5 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 134.4 | 178.4 | -156.2 | -95.5 | 0 | 0 | 0 | 110.7 | P404 A408 T409 | P404-H406 PolarHBondContact O-N 3.37Å; H406-A408 PolarHBondContact O-N 3.39Å; H406-T409 PolarHBondContact O-N 3.34Å; H406-T409 PolarHBondContact O-OG1 3.26Å |
| 407 | P | 52.1 | Low | 49.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -65.7 | -4.9 | -174.7 | 25.1 | -34.5 | 0 | 0 | 0 | 114.8 | T409 | P407-T409 VanDerWaalsContact C-N 3.26Å; P407-T409 PolarHBondContact O-N 2.79Å |
| 408 | A | 55 | Low | 48.8 | Very low | 79 Ų | 79 | 139.3 Ų | 139.3 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -80.4 | 7.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | H406 | H406-A408 PolarHBondContact O-N 3.39Š|
| 409 | T | 50.3 | Low | 47.6 | Very low | 100 Ų | 100 | 136.5 Ų | 136.5 | 61% | 0.613 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -105.4 | 5.1 | -174.5 | 52.7 | 0 | 0 | 0 | 0 | 115.2 | H406 P407 L411 | H406-T409 PolarHBondContact O-N 3.34Å; H406-T409 PolarHBondContact O-OG1 3.26Å; P407-T409 VanDerWaalsContact C-N 3.26Å; P407-T409 PolarHBondContact O-N 2.79Å; T409-L411 PolarHBondContact O-N 3.43Å |
| 410 | S | 43.5 | Very low | 46 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -74 | 119.7 | 168.2 | -68.1 | 0 | 0 | 0 | 0 | 110.7 | Q412 | S410-Q412 PolarHBondContact O-N 3.44Š|
| 411 | L | 41.8 | Very low | 45.2 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.6 | 172.8 | -69.2 | 173.8 | 0 | 0 | 0 | 109.7 | T409 | T409-L411 PolarHBondContact O-N 3.43Š|
| 412 | Q | 39.7 | Very low | 44 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 89% | 0.888 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 131.2 | 169.7 | -67.9 | -172.6 | -1.2 | 0 | 0 | 110.2 | S410 K414 | S410-Q412 PolarHBondContact O-N 3.44Å; Q412-K414 PolarHBondContact O-N 3.44Å |
| 413 | Y | 37.5 | Very low | 42.4 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -83.7 | 105.2 | 158.8 | -82.2 | -97.6 | 0 | 0 | 0 | 107.8 | I415 | Y413-I415 PolarHBondContact O-N 3.02Å; Y413-I415 VanDerWaalsContact O-N 3.14Å |
| 414 | K | 34 | Very low | 40.9 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | | | trans | -68.9 | 107.1 | 168 | -169.2 | -169.5 | -173.6 | -166.4 | 0 | 107.9 | Q412 E416 | Q412-K414 PolarHBondContact O-N 3.44Å; K414-E416 WeakPolarHBondContact CE-OE1 3.48Å; K414-E416 IonicContact NZ-OE1 3.43Å; K414-E416 PolarHBondContact NZ-OE1 3.4Å |
| 415 | I | 39.1 | Very low | 39.5 | Very low | 144 Ų | 144 | 144 Ų | 144 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -79.8 | 129.7 | 160.2 | -60.4 | 175.7 | 0 | 0 | 0 | 106 | Y413 L417 | Y413-I415 PolarHBondContact O-N 3.02Å; Y413-I415 VanDerWaalsContact O-N 3.14Å; I415-L417 HydrophobicContact CG2-CD1 4.24Å |
| 416 | E | 33 | Very low | 39 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | | | trans | -114 | 107.7 | -177.8 | -168.6 | 149.1 | -112.1 | 0 | 0 | 107.4 | K414 | K414-E416 WeakPolarHBondContact CE-OE1 3.48Å; K414-E416 IonicContact NZ-OE1 3.43Å; K414-E416 PolarHBondContact NZ-OE1 3.4Å |
| 417 | L | 37.6 | Very low | 38.4 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -137.2 | 97.2 | -173.5 | -132.8 | 86.2 | 0 | 0 | 0 | 110.5 | I415 | I415-L417 HydrophobicContact CG2-CD1 4.24Š|
| 418 | T | 34.7 | Very low | 37.6 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -154 | 143 | 169.4 | 8.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 419 | D | 36.2 | Very low | 36.8 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | | | cis | -125.8 | 165.2 | 22.3 | -71.3 | -54.1 | 0 | 0 | 0 | 115.2 | | |
| 420 | L | 33 | Very low | 36 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -92 | 146.1 | 171.7 | -115.5 | 77.5 | 0 | 0 | 0 | 112.3 | | |
| 421 | P | 38.2 | Very low | 35.6 | Very low | 121 Ų | 121 | 147.1 Ų | 147.1 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 149.6 | 143.9 | 34.2 | -28 | 0 | 0 | 0 | 111.2 | | |
| 422 | K | 34.4 | Very low | 35.2 | Very low | 188 Ų | 188 | 145.1 Ų | 145.1 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -98 | 134.8 | -171.5 | -60.3 | 169.5 | -178 | 172.6 | 0 | 112.7 | V424 | K422-V424 HydrophobicContact CB-CG2 4.39Š|
| 423 | T | 30 | Very low | 34.9 | Very low | 149 Ų | 149 | 142 Ų | 142 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 143.8 | 157.2 | 17.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 424 | V | 33.2 | Very low | 34.8 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 70% | 0.703 | 74% | 0.743 | S | S | * | * | | | trans | -145.9 | 134 | -174 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | K422 | K422-V424 HydrophobicContact CB-CG2 4.39Š|
| 425 | S | 32.1 | Very low | 34.8 | Very low | 110 Ų | 110 | 134.9 Ų | 134.9 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | 70 | 158.4 | 165.4 | 77.8 | 0 | 0 | 0 | 0 | 116.9 | | |
| 426 | E | 35.7 | Very low | 34.6 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | | | cis | -153.9 | 163.5 | 11.6 | -151 | -161.8 | 152.7 | 0 | 0 | 112.6 | | |
| 427 | K | 34.8 | Very low | 34.7 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 143 | 163 | -75.6 | 146.8 | 176.6 | 143.2 | 0 | 117.1 | | |
| 428 | A | 36.4 | Very low | 34.6 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 74% | 0.737 | S | S | * | * | | | cis | -163.9 | 148.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 429 | K | 36.9 | Very low | 34.7 | Very low | 188 Ų | 188 | 133.3 Ų | 133.3 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | | | trans | 60.9 | 144.6 | 147.2 | -65.7 | 179.2 | 178.5 | 179.9 | 0 | 118.2 | | |
| 430 | N | 34.4 | Very low | 34.8 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | cis | -164.9 | -179.5 | 0.8 | -118.1 | 9.8 | 0 | 0 | 0 | 111.1 | | |
| 431 | N | 35.2 | Very low | 34.9 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | | | trans | 76.5 | 101.6 | 167.2 | -59.2 | -5.3 | 0 | 0 | 0 | 115.3 | | |
| 432 | S | 33.9 | Very low | 34.9 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | | 78 | 129.5 | 75.2 | 72 | 0 | 0 | 0 | 0 | 112.8 | | |
| 433 | V | 33 | Very low | 35.1 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | | | | -159 | 150.4 | 59.2 | 155 | 0 | 0 | 0 | 0 | 111.6 | | |
| 434 | S | 34.3 | Very low | 35.2 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 63% | 0.629 | 69% | 0.691 | S | S | * | * | | | trans | 36.9 | 149.1 | 156.5 | -69.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 435 | E | 34.5 | Very low | 35.2 | Very low | 130 Ų | 130 | 134 Ų | 134 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | | | cis | -166.1 | 153.5 | -3.2 | -120.6 | 163.9 | -102.1 | 0 | 0 | 111.7 | | |
| 436 | K | 35.3 | Very low | 35.7 | Very low | 175 Ų | 175 | 133.2 Ų | 133.2 | 76% | 0.761 | 69% | 0.69 | S | S | * | * | | | trans | 62.3 | 153.7 | 155.5 | -72 | 158.7 | -178.8 | 153.5 | 0 | 116.9 | | |
| 437 | S | 35.6 | Very low | 35.8 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | cis | -172.7 | 155.4 | -10.9 | 48.1 | 0 | 0 | 0 | 0 | 107 | | |
| 438 | E | 35.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 130.1 Ų | 130.1 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | | | cis | -164.1 | 173 | 4.2 | -137.5 | -164.7 | 130 | 0 | 0 | 109.5 | | |
| 439 | N | 35.5 | Very low | 35.6 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 55% | 0.545 | 69% | 0.693 | S | S | . | * | | | trans | 63.8 | 139.5 | 149.5 | -73.9 | -35 | 0 | 0 | 0 | 120.6 | | |
| 440 | K | 37.6 | Very low | 35.4 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 73% | 0.726 | 69% | 0.691 | S | S | * | * | | | cis | -164.2 | 151.9 | -0.5 | -136.5 | 160.7 | -166.2 | 165.5 | 0 | 113.8 | | |
| 441 | S | 35.5 | Very low | 35.4 | Very low | 80 Ų | 80 | 130 Ų | 130 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | | | trans | 46.9 | 115.2 | 143.7 | 61.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 442 | H | 38.4 | Very low | 35.2 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | | | | 106 | 154.1 | 79 | -75.5 | -23 | 0 | 0 | 0 | 112 | | |
| 443 | Q | 38.2 | Very low | 35.3 | Very low | 143 Ų | 143 | 131 Ų | 131 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | | | cis | -160.5 | 156.3 | 0.1 | -122.5 | 172.2 | -1.3 | 0 | 0 | 111.9 | | |
| 444 | N | 33.6 | Very low | 35.1 | Very low | 120 Ų | 120 | 131 Ų | 131 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | | | trans | 55.9 | 140.8 | 149.6 | -55.6 | -15.9 | 0 | 0 | 0 | 121.4 | | |
| 445 | Y | 32.2 | Very low | 35.1 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | | | cis | 75.6 | 150.2 | 35.9 | -74.9 | -53.9 | 0 | 0 | 0 | 115.5 | | |
| 446 | P | 43.1 | Very low | 35 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | | | cis | -140.2 | -153.9 | -21.2 | 33.1 | -8.8 | 0 | 0 | 0 | 113.5 | | |
| 447 | D | 36.6 | Very low | 35.1 | Very low | 135 Ų | 135 | 131.5 Ų | 131.5 | 72% | 0.722 | 71% | 0.71 | S | S | * | * | | | trans | 76.4 | 150.6 | 149.7 | -65.4 | -8.1 | 0 | 0 | 0 | 121.7 | | |
| 448 | T | 34.6 | Very low | 34.7 | Very low | 100 Ų | 100 | 133 Ų | 133 | 61% | 0.613 | 71% | 0.709 | S | S | * | * | | | cis | -162.2 | 159.3 | -15.3 | 25.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 449 | N | 33.2 | Very low | 34.5 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | trans | 70 | 155.3 | 142 | -66.7 | -19.6 | 0 | 0 | 0 | 124.5 | | |
| 450 | N | 33.7 | Very low | 34.5 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | 75.4 | 142.8 | 157.4 | -61.7 | -19.5 | 0 | 0 | 0 | 118.8 | | |
| 451 | T | 34.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | cis | -157.1 | 165.2 | -4.1 | -108.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 452 | L | 31.1 | Very low | 33.8 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 79% | 0.785 | 74% | 0.735 | S | S | * | * | | | trans | -40.9 | 177.8 | -175.6 | -67.1 | 80.2 | 0 | 0 | 0 | 121.4 | | |
| 453 | S | 34.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | 94 | 121.6 | 168.1 | 73.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 454 | V | 29.6 | Very low | 33.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | | | cis | 74.4 | 97.4 | 17 | -166.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 455 | Q | 33.5 | Very low | 33.1 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | | -165.2 | 156.9 | 113.3 | -124.5 | 125.5 | 42.7 | 0 | 0 | 114.7 | | |
| 456 | T | 33.5 | Very low | 33.3 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | | | trans | -84.4 | 169.7 | 177.2 | 35.3 | 0 | 0 | 0 | 0 | 112.5 | L458 | T456-L458 HydrophobicContact CG2-CG 4.2Å; T456-L458 VanDerWaalsContact OG1-CD1 3.31Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.19Å |
| 457 | P | 36.2 | Very low | 32.7 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | | -113.9 | 143.4 | 86.2 | 33.9 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 458 | L | 28.9 | Very low | 32.4 | Very low | 136 Ų | 136 | 129 Ų | 129 | 71% | 0.712 | 74% | 0.742 | S | S | * | * | | | cis | 61.6 | 97.5 | 29 | -73.1 | 172.6 | 0 | 0 | 0 | 115.7 | T456 | T456-L458 HydrophobicContact CG2-CG 4.2Å; T456-L458 VanDerWaalsContact OG1-CD1 3.31Å; T456-L458 WeakPolarHBondContact OG1-CD1 3.19Å |
| 459 | R | 31.5 | Very low | 32.2 | Very low | 231 Ų | 231 | 134.3 Ų | 134.3 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | | | | -176.6 | 128.3 | 110.7 | -107.1 | -177.4 | 176.4 | -175.7 | -1.2 | 115.2 | | |
| 460 | T | 34.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 134.6 Ų | 134.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | 55.1 | 148.6 | 136.5 | 52.2 | 0 | 0 | 0 | 0 | 122 | | |
| 461 | S | 31.2 | Very low | 32.2 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | | | cis | -154.3 | 143.4 | -3.6 | 170.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 462 | C | 28 | Very low | 31.9 | Very low | 101 Ų | 101 | 134 Ų | 134 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | | | trans | -39.3 | 148.6 | 165.3 | -45.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 463 | K | 34.6 | Very low | 32 | Very low | 197 Ų | 197 | 134.1 Ų | 134.1 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | | | | -178.5 | 154.9 | 126.6 | -94.3 | 153.7 | -174.1 | 179.1 | 0 | 109.5 | | |
| 464 | N | 30.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 135.7 Ų | 135.7 | 68% | 0.684 | 74% | 0.74 | S | S | * | * | | | cis | -176.6 | 138.8 | -32.2 | -111.8 | 15.8 | 0 | 0 | 0 | 108 | | |
| 465 | S | 31.1 | Very low | 31.7 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | 57.5 | 159.2 | 158.1 | 53 | 0 | 0 | 0 | 0 | 118.7 | | |
| 466 | A | 35 | Very low | 31.7 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | | | cis | -137.2 | 151.7 | 8.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 467 | T | 30.9 | Very low | 31.5 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 82% | 0.816 | 74% | 0.735 | S | S | * | * | | | | 59.1 | 131 | 81.2 | -22.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 468 | A | 30.4 | Very low | 31 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 55% | 0.554 | 73% | 0.732 | S | S | * | * | | | cis | -166 | 174.7 | 22 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 469 | Y | 31.1 | Very low | 31.2 | Very low | 211 Ų | 211 | 134.1 Ų | 134.1 | 83% | 0.827 | 74% | 0.739 | S | S | * | * | | | trans | 58.4 | 127.1 | 151.7 | -67.6 | -59.2 | 0 | 0 | 0 | 120.1 | | |
| 470 | I | 30.8 | Very low | 31.1 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | | | cis | 64 | 112.5 | 19.6 | -45.4 | 178 | 0 | 0 | 0 | 112.2 | | |
| 471 | P | 35.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | | | | -129.1 | 159.7 | 65.4 | 10 | 16 | 0 | 0 | 0 | 114.5 | | |
| 472 | N | 28.3 | Very low | 31.3 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | | 61 | 143.8 | 69.3 | -91.9 | -30.8 | 0 | 0 | 0 | 113 | | |
| 473 | K | 33.5 | Very low | 31.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | | | cis | -168.1 | 165.5 | 26.6 | -133.4 | 169.4 | -177.2 | -160.4 | 0 | 113.9 | | |
| 474 | Q | 30.5 | Very low | 31.6 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | | | trans | 32.7 | 118.3 | 139.3 | -77.8 | 163.4 | -25.3 | 0 | 0 | 119.8 | | |
| 475 | S | 28 | Very low | 31.9 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | | | | 78.5 | 157 | 93.1 | 93.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 476 | S | 32.6 | Very low | 32.2 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | | | cis | -175 | 168.5 | 11.9 | 27 | 0 | 0 | 0 | 0 | 108.9 | | |
| 477 | I | 30.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 74% | 0.744 | 72% | 0.718 | S | S | * | * | | | trans | 67.4 | 107.7 | 156 | -71.5 | 157.2 | 0 | 0 | 0 | 114.7 | | |
| 478 | C | 25 | Very low | 32.3 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | | | | 77.1 | 142.5 | 68.5 | -66.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 479 | Q | 32.6 | Very low | 32.4 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | 69.4 | 148.1 | 174.4 | -66.4 | 172 | -19.7 | 0 | 0 | 115.8 | | |
| 480 | S | 30.3 | Very low | 32.6 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 66% | 0.657 | 73% | 0.734 | S | S | * | * | | | cis | -160.3 | 158.8 | -22.7 | -123.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 481 | D | 34.1 | Very low | 32.8 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | | | trans | 43.4 | 111.8 | 145.9 | -66.8 | -85.4 | 0 | 0 | 0 | 122.5 | | |
| 482 | K | 34.9 | Very low | 32.6 | Very low | 174 Ų | 174 | 129 Ų | 129 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | | | | 87.8 | 148.4 | 116.8 | -75.6 | -175.6 | -178.1 | -172.2 | 0 | 122.6 | | |
| 483 | L | 33.6 | Very low | 32.9 | Very low | 158 Ų | 158 | 129.8 Ų | 129.8 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | 68.7 | 149.9 | 158.8 | -65 | 154.8 | 0 | 0 | 0 | 116.7 | | |
| 484 | S | 36.3 | Very low | 32.8 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 55% | 0.545 | 74% | 0.737 | S | S | . | * | | | cis | -174.1 | 146.9 | -29.4 | 46.5 | 0 | 0 | 0 | 0 | 109 | | |
| 485 | D | 36.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | | | trans | 61.3 | 170.6 | 157.1 | -56 | -29.2 | 0 | 0 | 0 | 118.2 | | |
| 486 | S | 36.3 | Very low | 33 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | -158.8 | 152.8 | -51.3 | 63.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 487 | S | 33.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 74% | 0.744 | S | S | * | * | | | trans | 56.6 | 128.9 | 160.5 | 74.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 488 | A | 34.8 | Very low | 32.8 | Very low | 104 Ų | 104 | 135 Ų | 135 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | | -169.6 | 137.8 | 118.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 489 | M | 31.8 | Very low | 33 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | | | trans | -83.5 | 153.2 | 169.1 | -58.8 | 160.3 | 63.8 | 0 | 0 | 110.1 | | |
| 490 | K | 37.1 | Very low | 32.9 | Very low | 182 Ų | 182 | 132 Ų | 132 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | | -179.9 | 135.2 | 112.9 | -101.9 | 178.7 | 170.6 | -175.9 | 0 | 114.8 | | |
| 491 | I | 34.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | | | trans | 61.6 | 133.1 | 137.9 | -62.9 | 166.8 | 0 | 0 | 0 | 118.2 | | |
| 492 | G | 31.9 | Very low | 32.8 | Very low | 58 Ų | 58 | 134 Ų | 134 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | | | trans | -100 | -132.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 493 | N | 34.4 | Very low | 32.7 | Very low | 151 Ų | 151 | 129.7 Ų | 129.7 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | | | trans | 73.9 | 142.8 | -164.7 | -53.6 | 8.5 | 0 | 0 | 0 | 112.3 | | |
| 494 | E | 30.9 | Very low | 32.6 | Very low | 159 Ų | 159 | 129.1 Ų | 129.1 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | | | cis | -166.9 | 159 | -28.7 | -129.4 | -176.4 | 169 | 0 | 0 | 108.8 | | |
| 495 | T | 30.2 | Very low | 32.3 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 61% | 0.613 | 74% | 0.739 | S | S | * | * | | | trans | 56.9 | 118.8 | 153.8 | 57.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 496 | K | 31.9 | Very low | 32.2 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | | 78.5 | 171.9 | 126.5 | -69.5 | 178.8 | 176.4 | 177.4 | 0 | 120.6 | | |
| 497 | I | 30.3 | Very low | 31.9 | Very low | 144 Ų | 144 | 134 Ų | 134 | 74% | 0.738 | 74% | 0.738 | S | S | * | * | | | trans | 78.9 | 102.3 | 176.4 | -51 | -178 | 0 | 0 | 0 | 110.2 | | |
| 498 | L | 28.2 | Very low | 32 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | | 61 | 138.8 | 78.6 | -59.5 | 160.7 | 0 | 0 | 0 | 110.4 | | |
| 499 | T | 28.9 | Very low | 32 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 64% | 0.638 | 74% | 0.736 | S | S | * | * | | | cis | -165.8 | 178.8 | 19.3 | -13.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 500 | N | 32.3 | Very low | 32.1 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | | | trans | 73.6 | 134 | 157.6 | -61.6 | -27.4 | 0 | 0 | 0 | 116.9 | | |
| 501 | N | 29.9 | Very low | 31.8 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | | | cis | 105.7 | 139.4 | 26.9 | -77 | -32.7 | 0 | 0 | 0 | 111.8 | | |
| 502 | S | 32 | Very low | 31.7 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | | | trans | 71.3 | 149.3 | 164.1 | -57.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 503 | S | 32.2 | Very low | 31.7 | Very low | 83 Ų | 83 | 134.1 Ų | 134.1 | 58% | 0.58 | 73% | 0.731 | S | S | * | * | | | cis | -162.5 | 168.4 | -25.2 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 504 | E | 31.3 | Very low | 31.3 | Very low | 146 Ų | 146 | 132 Ų | 132 | 68% | 0.682 | 73% | 0.728 | S | S | * | * | | | trans | 62.9 | 138.7 | 139.3 | -79.2 | 162.6 | 126.1 | 0 | 0 | 123.7 | | |
| 505 | M | 30.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | trans | 70.4 | 155.4 | 137 | -71.5 | 176.2 | -169.9 | 0 | 0 | 118.9 | | |
| 506 | T | 33.5 | Very low | 31.5 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | | | cis | -148 | 134.3 | -4.7 | 5.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 507 | E | 31.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | | | | 78 | 154 | 94.7 | -163.3 | -179.2 | -169.2 | 0 | 0 | 115.4 | | |
| 508 | S | 34.1 | Very low | 31.8 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | | | trans | 85.5 | 144.7 | 164.6 | 84.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 509 | K | 34.3 | Very low | 32.1 | Very low | 193 Ų | 193 | 124.3 Ų | 124.3 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | | | cis | -170.7 | 164.6 | -16.3 | 170.9 | 168.7 | -178.5 | 174.8 | 0 | 110 | | |
| 510 | A | 33.9 | Very low | 32.4 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | | | trans | 73.2 | 138.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 511 | Q | 30.4 | Very low | 32.4 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | | | cis | 75.1 | 137.8 | 44.9 | -70.7 | 175.5 | -64.2 | 0 | 0 | 112.9 | | |
| 512 | S | 32.4 | Very low | 32.6 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | | | cis | -173.2 | 161.3 | 5.5 | 40.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 513 | V | 31.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | | | trans | 63.6 | 119.6 | 144.1 | 163.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 514 | S | 27.9 | Very low | 33 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | | 83.1 | 159.9 | 53.4 | -56.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 515 | A | 32.7 | Very low | 33.1 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | | | trans | 74.3 | 112.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 516 | S | 31 | Very low | 33 | Very low | 98 Ų | 98 | 127.9 Ų | 127.9 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | | 83 | 157.5 | 62 | 86 | 0 | 0 | 0 | 0 | 112.2 | | |
| 517 | D | 34.1 | Very low | 33 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | | | cis | -163 | 171.9 | 25.3 | -127.6 | -43.9 | 0 | 0 | 0 | 111.7 | | |
| 518 | L | 35.6 | Very low | 32.8 | Very low | 141 Ų | 141 | 132.2 Ų | 132.2 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | | | trans | 66.6 | 144.7 | 159.6 | -60.8 | 158.3 | 0 | 0 | 0 | 118.4 | | |
| 519 | D | 34.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | | | cis | -161.8 | 160.4 | -16.6 | -135.1 | -6.9 | 0 | 0 | 0 | 112.3 | | |
| 520 | E | 34.8 | Very low | 32.8 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 59% | 0.593 | 72% | 0.724 | S | S | * | * | | | trans | 48.9 | 152.5 | 148.8 | -68.8 | -161.2 | 119.6 | 0 | 0 | 122.7 | | |
| 521 | R | 32.6 | Very low | 32.8 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | | | cis | -157.3 | 143.6 | -0.2 | -133.6 | -178.9 | -78.7 | 141.8 | 0.9 | 110.3 | | |
| 522 | N | 34.3 | Very low | 33 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 73% | 0.726 | S | S | * | * | | | trans | 59.4 | 149.9 | 148.2 | -69.4 | -17.9 | 0 | 0 | 0 | 121.4 | | |
| 523 | K | 36.2 | Very low | 33.1 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 71% | 0.709 | 74% | 0.735 | S | S | * | * | | | cis | -172.5 | 162.6 | -31.5 | -132 | -175.8 | 177.3 | -176.4 | 0 | 109.3 | | |
| 524 | D | 35.1 | Very low | 33.1 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | trans | 62.1 | 149.6 | 158.7 | -48.7 | -29.4 | 0 | 0 | 0 | 118.3 | | |
| 525 | S | 33.5 | Very low | 33.6 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 74% | 0.735 | S | S | * | * | | | cis | -167.2 | 137.9 | -30.7 | 54.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 526 | T | 29.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | | | trans | 33.5 | 122.1 | 150.3 | 56.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 527 | N | 33.4 | Very low | 34.1 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | | | | -171.2 | 155.3 | 110.1 | -95.4 | -40.2 | 0 | 0 | 0 | 114.5 | | |
| 528 | Y | 27.3 | Very low | 34.1 | Very low | 207 Ų | 207 | 143.4 Ų | 143.4 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -80.9 | 172.7 | 174.8 | -72 | -84.5 | 0 | 0 | 0 | 111.1 | | |
| 529 | P | 35.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 143 Ų | 143 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | cis | -136.5 | -175.7 | 17.8 | 43.9 | -26.1 | 0 | 0 | 0 | 117.2 | | |
| 530 | L | 33.1 | Very low | 33.9 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 144.7 | 171.4 | -53.9 | 122.9 | 0 | 0 | 0 | 112 | | |
| 531 | D | 33.9 | Very low | 33.7 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | | -150.4 | 132.4 | 129 | -165.5 | 12.6 | 0 | 0 | 0 | 111.1 | R533 | D531-R533 PolarHBondContact O-N 3.45Š|
| 532 | G | 33.2 | Very low | 33.8 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | | | trans | -94.3 | 73.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S534 | G532-S534 VanDerWaalsContact C-N 3.34Å; G532-S534 PolarHBondContact O-N 3.28Å |
| 533 | R | 34.3 | Very low | 33.7 | Very low | 227 Ų | 227 | 144.3 Ų | 144.3 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | trans | -72.2 | 80.5 | 177 | -71.7 | -172.5 | 176.6 | -173.8 | -0.4 | 113.3 | D531 V535 | D531-R533 PolarHBondContact O-N 3.45Å; R533-V535 PolarHBondContact O-N 3.07Å |
| 534 | S | 33.2 | Very low | 33.4 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | -82.8 | 85.9 | 162.5 | -169.7 | 0 | 0 | 0 | 0 | 110.4 | G532 | G532-S534 VanDerWaalsContact C-N 3.34Å; G532-S534 PolarHBondContact O-N 3.28Å |
| 535 | V | 37.3 | Very low | 33.3 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | -106.6 | 122.1 | 162.7 | 178 | 0 | 0 | 0 | 0 | 106.7 | R533 P537 | R533-V535 PolarHBondContact O-N 3.07Å; V535-P537 WeakPolarHBondContact O-CD 3.48Å |
| 536 | V | 37.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -104.4 | 98.7 | 176 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 537 | P | 36.6 | Very low | 33.1 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | trans | -82.4 | 121.9 | 156.1 | 32.7 | -27.5 | 0 | 0 | 0 | 108.4 | V535 | V535-P537 WeakPolarHBondContact O-CD 3.48Š|
| 538 | W | 35.6 | Very low | 32.9 | Very low | 248 Ų | 248 | 145.9 Ų | 145.9 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | | | trans | -88.4 | 120.3 | 159.1 | 77 | -20.5 | 0 | 0 | 0 | 108.6 | | |
| 539 | D | 31.4 | Very low | 33 | Very low | 132 Ų | 132 | 143 Ų | 143 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | -159.3 | 123.3 | 169 | -164.5 | 0.1 | 0 | 0 | 0 | 108.9 | N541 | D539-N541 PolarHBondContact OD1-ND2 2.82Š|
| 540 | S | 34.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -177.6 | 103.2 | 168.3 | -81.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 541 | N | 30.2 | Very low | 32.5 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | | | trans | -86.1 | 133.5 | 174.7 | -59.1 | -87.1 | 0 | 0 | 0 | 109.9 | D539 | D539-N541 PolarHBondContact OD1-ND2 2.82Š|
| 542 | Q | 33.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 137.6 Ų | 137.6 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | trans | -160.8 | 140.8 | 154.7 | -83.4 | -148.3 | -57.7 | 0 | 0 | 108.4 | | |
| 543 | E | 32.7 | Very low | 32.3 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | | | cis | -161 | 137.9 | -20.8 | -137.4 | 162.5 | -117.6 | 0 | 0 | 107.2 | | |
| 544 | D | 31.2 | Very low | 32.3 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | | | trans | -79.3 | 131.6 | 176.1 | -89.8 | -50.7 | 0 | 0 | 0 | 110.9 | | |
| 545 | T | 32.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | | | trans | -156.5 | 149.5 | 149.8 | -8.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 546 | T | 28.2 | Very low | 32.2 | Very low | 128 Ų | 128 | 136.9 Ų | 136.9 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | -118.1 | -165.2 | -178.1 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 547 | V | 31.3 | Very low | 31.8 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | | | trans | 94.3 | 89.6 | 164.9 | -169.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 548 | L | 28.5 | Very low | 31.5 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | | | | 56.1 | 141.6 | 121.4 | -63.9 | 176.2 | 0 | 0 | 0 | 123.8 | | |
| 549 | L | 28.3 | Very low | 31.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 81.2 | 88.5 | 141.2 | -74 | 165.3 | 0 | 0 | 0 | 121.9 | | |
| 550 | S | 27.2 | Very low | 31.2 | Very low | 98 Ų | 98 | 131.2 Ų | 131.2 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | | 80.8 | 134.7 | 110.8 | 70.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 551 | A | 30.6 | Very low | 31 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 72 | 153 | 153 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 552 | T | 32 | Very low | 31 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | cis | -140.5 | 149.8 | 16.4 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 553 | S | 30.6 | Very low | 30.9 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | | | trans | 42.5 | 130.7 | 134 | -156.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 554 | S | 35.5 | Very low | 30.9 | Very low | 91 Ų | 91 | 129.3 Ų | 129.3 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | | -172.2 | 143.5 | 60 | -59.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 555 | Q | 34.2 | Very low | 30.9 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 56.1 | 138.9 | 139.2 | -65.8 | -177.3 | 35.4 | 0 | 0 | 120.1 | | |
| 556 | K | 33.1 | Very low | 30.9 | Very low | 167 Ų | 167 | 127 Ų | 127 | 73% | 0.726 | 72% | 0.718 | S | S | * | * | | | cis | -139.5 | 144.7 | 6 | -100.2 | 139.2 | 174.8 | 169.2 | 0 | 108.9 | | |
| 557 | T | 28.9 | Very low | 31 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | | | | 52.4 | 132.9 | 76.5 | 8.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 558 | L | 31.4 | Very low | 31 | Very low | 136 Ų | 136 | 128.6 Ų | 128.6 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | | | cis | -132.3 | 159.9 | 15.1 | -76.6 | 156.8 | 0 | 0 | 0 | 110 | | |
| 559 | Q | 29 | Very low | 31.2 | Very low | 176 Ų | 176 | 127.3 Ų | 127.3 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | | | | 63.6 | 141.7 | 61.2 | -105.1 | -171.3 | -0.8 | 0 | 0 | 113.3 | | |
| 560 | A | 31.2 | Very low | 31.2 | Very low | 68 Ų | 68 | 125.6 Ų | 125.6 | 56% | 0.562 | 71% | 0.714 | S | S | * | * | | | cis | -165.9 | -174.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 561 | N | 31.1 | Very low | 31.4 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | | | trans | 76 | 135.6 | 155.9 | -56.5 | -2.6 | 0 | 0 | 0 | 117.1 | | |
| 562 | E | 29.3 | Very low | 31.3 | Very low | 168 Ų | 168 | 130 Ų | 130 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | | | | 70.2 | 134.4 | 51.8 | -61.9 | -177.1 | 159.2 | 0 | 0 | 112.1 | | |
| 563 | T | 31.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | | | cis | -156.7 | -177.4 | 14 | -11.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 564 | D | 33.3 | Very low | 31.3 | Very low | 133 Ų | 133 | 131 Ų | 131 | 71% | 0.711 | 71% | 0.706 | S | S | * | * | | | trans | 71.2 | 151.9 | 145.1 | -76.1 | -2.4 | 0 | 0 | 0 | 119.6 | | |
| 565 | I | 31.1 | Very low | 31.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 66% | 0.656 | 71% | 0.71 | S | S | * | * | | | cis | -161.4 | 155.6 | -10.6 | -127.3 | 168.7 | 0 | 0 | 0 | 112.3 | | |
| 566 | I | 32.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | | | trans | 69.3 | 118 | 155.9 | -77.4 | 174.8 | 0 | 0 | 0 | 122.2 | | |
| 567 | K | 29.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | | | trans | 39 | 134.5 | 137.3 | -41.8 | 170.1 | -165.3 | 170.2 | 0 | 119.2 | | |
| 568 | S | 31.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | | | | -170.6 | 162 | 53.3 | -53.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 569 | T | 32 | Very low | 30.6 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 76% | 0.761 | 72% | 0.716 | S | S | * | * | | | trans | 64 | 87.5 | 151.9 | -50.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 570 | C | 29.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | | | | 85.5 | 142.8 | 101.6 | -68.5 | 0 | 0 | 0 | 0 | 115 | | |
| 571 | I | 31.1 | Very low | 30.1 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | | | cis | -150.7 | 128.5 | -5.6 | -116.6 | 161.4 | 0 | 0 | 0 | 109.2 | | |
| 572 | I | 29.3 | Very low | 29.9 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | | | trans | 37.7 | 132.7 | 137 | -56.3 | 172.8 | 0 | 0 | 0 | 119.4 | | |
| 573 | S | 29 | Very low | 29.8 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 51% | 0.51 | 71% | 0.714 | S | S | . | * | | | cis | 178.4 | 158.5 | -12.1 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 574 | H | 32.5 | Very low | 29.7 | Very low | 177 Ų | 177 | 126 Ų | 126 | 82% | 0.819 | 72% | 0.724 | S | S | * | * | | | trans | 66.2 | 133.1 | 151.6 | -53.6 | -39 | 0 | 0 | 0 | 118.4 | | |
| 575 | A | 32.1 | Very low | 29.6 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 72% | 0.719 | 73% | 0.73 | S | S | * | * | | | cis | 66.7 | 156.9 | 11.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 576 | P | 36.1 | Very low | 29.4 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | | | cis | -109.8 | -175.6 | -7.5 | 10.9 | 15.7 | 0 | 0 | 0 | 112.4 | | |
| 577 | T | 27.3 | Very low | 29.4 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 73% | 0.732 | S | S | * | * | | | cis | 88.1 | 147.5 | 28.3 | -32.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 578 | I | 28.6 | Very low | 29.3 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | | | trans | 80.2 | 119.8 | 170.2 | -45.3 | -178.9 | 0 | 0 | 0 | 113.6 | | |
| 579 | T | 25.1 | Very low | 29.1 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | cis | 89.4 | 134.6 | 41.8 | -44.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 580 | S | 24.6 | Very low | 29.3 | Very low | 93 Ų | 93 | 130.2 Ų | 130.2 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 62.2 | 115 | 157.6 | 53.2 | 0 | 0 | 0 | 0 | 122.7 | | |
| 581 | S | 25.7 | Very low | 29.2 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | | | | 91.8 | 157.8 | 122.8 | 78.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 582 | T | 26.5 | Very low | 29.2 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | | | trans | 86.8 | 113.4 | 163.9 | 66 | 0 | 0 | 0 | 0 | 121.7 | | |
| 583 | S | 26.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 134.3 Ų | 134.3 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | 49.9 | 112.6 | 139.2 | 57.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 584 | F | 30.1 | Very low | 29 | Very low | 202 Ų | 202 | 140.2 Ų | 140.2 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | | | | 16.3 | 139.6 | 119.5 | -78.9 | -70.3 | 0 | 0 | 0 | 120.3 | | |
| 585 | P | 31 | Very low | 28.9 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | | -143.9 | 162 | 86.5 | 37.4 | -21.7 | 0 | 0 | 0 | 118.6 | | |
| 586 | D | 27.7 | Very low | 28.6 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 50% | 0.497 | 76% | 0.762 | S | S | . | * | | | trans | -75.4 | 139.4 | 171.9 | 164.7 | 41.9 | 0 | 0 | 0 | 113.2 | R588 | D586-R588 IonicContact OD1-NE 3.33Å; D586-R588 IonicContact OD2-CZ 2.71Å; D586-R588 IonicContact OD2-NE 3.84Å; D586-R588 PolarHBondContact OD2-NE 3.48Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.71Å |
| 587 | K | 32 | Very low | 28.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | trans | -173.7 | 94.6 | 134.7 | -99.1 | 149.3 | -168.1 | 168.9 | 0 | 115.9 | | |
| 588 | R | 27.5 | Very low | 28.3 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | | | trans | 31.8 | 146 | 130.7 | -57.1 | 172.9 | -142.9 | 178.5 | 5 | 123.4 | D586 | D586-R588 IonicContact OD1-NE 3.33Å; D586-R588 IonicContact OD2-CZ 2.71Å; D586-R588 IonicContact OD2-NE 3.84Å; D586-R588 PolarHBondContact OD2-NE 3.48Å; D586-R588 IonicContact OD2-NH2 2.6Å; D586-R588 PolarHBondContact OD2-NH2 2.71Å |
| 589 | N | 27.7 | Very low | 28.2 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | | | trans | 80 | 101.4 | 146.5 | -74.1 | 8.8 | 0 | 0 | 0 | 121 | | |
| 590 | V | 35.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 79% | 0.788 | 76% | 0.764 | S | S | * | * | | | trans | -135 | 130.3 | 134.3 | 179.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 591 | N | 27.6 | Very low | 28.3 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -113.5 | 127.6 | 171.1 | -96 | -10.1 | 0 | 0 | 0 | 108.7 | | |
| 592 | W | 30.5 | Very low | 28.3 | Very low | 250 Ų | 250 | 149.9 Ų | 149.9 | 95% | 0.947 | 78% | 0.775 | S | S | * | * | | | trans | -138.4 | 156.9 | 161.3 | -87.3 | 82.6 | 0 | 0 | 0 | 110.1 | | |
| 593 | A | 27.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 150 Ų | 150 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | -118.9 | 167.4 | -161 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 594 | F | 26.3 | Very low | 28.6 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -13.3 | 131.6 | 171.4 | -65.5 | -91.2 | 0 | 0 | 0 | 118.5 | | |
| 595 | S | 29.6 | Very low | 28.4 | Very low | 115 Ų | 115 | 150.6 Ų | 150.6 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | -144.3 | 125.7 | 136.1 | -170.2 | 0 | 0 | 0 | 0 | 110 | | |
| 596 | N | 26.1 | Very low | 28.4 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | | | trans | -92.2 | 118.7 | 168.2 | -84.1 | -18.8 | 0 | 0 | 0 | 108.5 | | |
| 597 | Q | 29.8 | Very low | 28.5 | Very low | 176 Ų | 176 | 157.3 Ų | 157.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -166.7 | 123.8 | 147.5 | -112 | 157.7 | 45.4 | 0 | 0 | 114.8 | | |
| 598 | H | 27.6 | Very low | 28.4 | Very low | 159 Ų | 159 | 154.7 Ų | 154.7 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | 62.6 | 118 | 136.7 | -82.7 | -123.7 | 0 | 0 | 0 | 122.8 | | |
| 599 | I | 25.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | | 74 | 129 | 130 | -64 | 177.4 | 0 | 0 | 0 | 118.8 | | |
| 600 | S | 25.5 | Very low | 28.8 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 64.2 | 154 | 162.2 | 71.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 601 | S | 27.4 | Very low | 28.4 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | cis | -159 | 156.8 | -20.3 | 36.5 | 0 | 0 | 0 | 0 | 106.8 | P603 | S601-P603 WeakPolarHBondContact O-CD 3.33Å; S601-P603 VanDerWaalsContact O-N 3.13Å |
| 602 | Y | 26 | Very low | 28.5 | Very low | 229 Ų | 229 | 150.8 Ų | 150.8 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -55.9 | 117.8 | 174.1 | -73 | -86.1 | 0 | 0 | 0 | 110.8 | L604 | Y602-L604 PolarHBondContact O-N 3.12Å; Y602-L604 VanDerWaalsContact O-N 3.16Å |
| 603 | P | 30.3 | Very low | 28.3 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | | | trans | -79.4 | 97.2 | 167.8 | -3.3 | 23.3 | 0 | 0 | 0 | 107.3 | S601 | S601-P603 WeakPolarHBondContact O-CD 3.33Å; S601-P603 VanDerWaalsContact O-N 3.13Å |
| 604 | L | 27.8 | Very low | 28.4 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -69.6 | 159 | 153 | -162.1 | 71.3 | 0 | 0 | 0 | 107.9 | Y602 | Y602-L604 PolarHBondContact O-N 3.12Å; Y602-L604 VanDerWaalsContact O-N 3.16Å |
| 605 | E | 27.4 | Very low | 28.7 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | 69.9 | 117.6 | 170.8 | -50 | -174.1 | 171.2 | 0 | 0 | 116.3 | | |
| 606 | K | 30 | Very low | 28.7 | Very low | 189 Ų | 189 | 143.5 Ų | 143.5 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -152.8 | 89.5 | 145.8 | -151.2 | 177.8 | -169.3 | -177.3 | 0 | 111.8 | | |
| 607 | L | 30.1 | Very low | 29 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | | | trans | -158.5 | 82.2 | 155.2 | -114.4 | 171.3 | 0 | 0 | 0 | 108.7 | | |
| 608 | D | 30.2 | Very low | 29 | Very low | 133 Ų | 133 | 140.7 Ų | 140.7 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -62.1 | 138.1 | 173.8 | -54.2 | -93.1 | 0 | 0 | 0 | 111.3 | | |
| 609 | S | 30.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 140 Ų | 140 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | | 162.3 | 157.2 | 103.5 | 52.5 | 0 | 0 | 0 | 0 | 114 | | |
| 610 | L | 33 | Very low | 29.1 | Very low | 150 Ų | 150 | 140.3 Ų | 140.3 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 72.2 | 106.2 | 175.3 | -45.7 | 179.9 | 0 | 0 | 0 | 114.2 | | |
| 611 | N | 28 | Very low | 29.4 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | | 64 | 136.8 | 74.1 | -71.8 | -21.5 | 0 | 0 | 0 | 113.5 | | |
| 612 | L | 29.3 | Very low | 29.4 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 70% | 0.696 | 78% | 0.784 | S | S | * | * | | | cis | -149.5 | 161 | 20 | -157.6 | 74 | 0 | 0 | 0 | 112.5 | | |
| 613 | D | 27 | Very low | 29.6 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | | | trans | 13.7 | 135.3 | 159.1 | -69.1 | -43 | 0 | 0 | 0 | 122 | | |
| 614 | S | 28.6 | Very low | 29.3 | Very low | 95 Ų | 95 | 147.3 Ų | 147.3 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | | | | 174.4 | 130.4 | 85.4 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | | |
| 615 | T | 31.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | | | trans | 40.4 | 112.4 | 146.5 | 62 | 0 | 0 | 0 | 0 | 122.6 | | |
| 616 | N | 30.7 | Very low | 29.4 | Very low | 152 Ų | 152 | 146.7 Ų | 146.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | | 165.9 | 120.9 | 96.3 | -88.6 | -56.1 | 0 | 0 | 0 | 114.7 | | |
| 617 | P | 31.4 | Very low | 29.4 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -118.1 | 133.8 | 173.2 | 37.3 | -26 | 0 | 0 | 0 | 115 | | |
| 618 | V | 31.7 | Very low | 29.4 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | | | trans | -144.3 | 107 | 168.1 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 619 | L | 28.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | | 87.1 | 97 | 61.3 | -164.3 | 83.4 | 0 | 0 | 0 | 114.5 | | |
| 620 | I | 25.3 | Very low | 29.3 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | | | trans | 47.5 | 120.6 | 144.5 | -51.6 | 171.3 | 0 | 0 | 0 | 119.1 | | |
| 621 | K | 32.1 | Very low | 29 | Very low | 211 Ų | 211 | 147.4 Ų | 147.4 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | | | trans | -149 | 137.8 | 135.3 | -114.8 | 161.4 | -171 | 171.6 | 0 | 112.4 | | |
| 622 | K | 27.6 | Very low | 29 | Very low | 197 Ų | 197 | 151.8 Ų | 151.8 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | | | trans | -78.4 | 146.1 | 175.5 | -63.3 | 174.1 | 178.4 | 175.2 | 0 | 110 | | |
| 623 | Q | 30.5 | Very low | 29 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | | | trans | -147.8 | 119.7 | 149.2 | -148.6 | 168.5 | 16.8 | 0 | 0 | 111 | V625 | Q623-V625 HydrophobicContact CG-CG2 4.47Š|
| 624 | S | 24.1 | Very low | 29 | Very low | 120 Ų | 120 | 152 Ų | 152 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | -103.2 | 127 | 170.7 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 625 | V | 31.6 | Very low | 28.9 | Very low | 114 Ų | 114 | 153.2 Ų | 153.2 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | trans | -134.1 | 132.6 | 168.9 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | Q623 F627 | Q623-V625 HydrophobicContact CG-CG2 4.47Å; V625-F627 HydrophobicContact CG1-CD2 4.27Å; V625-F627 HydrophobicContact CG1-CE2 4.47Å |
| 626 | K | 26.1 | Very low | 28.9 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | | | trans | -101.5 | 135.5 | 175.2 | -54.9 | 172.8 | 179.1 | 179.5 | 0 | 109.3 | | |
| 627 | F | 28.9 | Very low | 29 | Very low | 188 Ų | 188 | 154.6 Ų | 154.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -169.5 | 145.4 | 153.5 | -79.4 | -63.7 | 0 | 0 | 0 | 108 | V625 | V625-F627 HydrophobicContact CG1-CD2 4.27Å; V625-F627 HydrophobicContact CG1-CE2 4.47Å |
| 628 | H | 31 | Very low | 28.9 | Very low | 166 Ų | 166 | 158 Ų | 158 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | cis | -149.1 | 156.7 | -26.3 | -166.3 | -82.5 | 0 | 0 | 0 | 108.4 | | |
| 629 | E | 26 | Very low | 28.9 | Very low | 151 Ų | 151 | 156.7 Ų | 156.7 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | | | trans | -87.7 | 147.7 | -178.8 | 179.5 | 179.8 | -177.7 | 0 | 0 | 112.7 | | |
| 630 | S | 32.7 | Very low | 28.7 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -170.5 | 134.5 | 152.3 | -85.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 631 | N | 25.6 | Very low | 28.9 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | | | trans | -96.9 | 152 | 176 | -68 | -80.2 | 0 | 0 | 0 | 111.7 | | |
| 632 | R | 27.8 | Very low | 28.6 | Very low | 235 Ų | 235 | 152 Ų | 152 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | 164.2 | 150.3 | 148.7 | -97.1 | -180 | 163.3 | -156.6 | -6.5 | 110.8 | | |
| 633 | L | 29 | Very low | 28.7 | Very low | 121 Ų | 121 | 149 Ų | 149 | 63% | 0.634 | 77% | 0.77 | S | S | * | * | | | cis | -164.5 | 142.9 | -27 | -121.9 | -177.4 | 0 | 0 | 0 | 108.3 | | |
| 634 | Q | 27.6 | Very low | 28.5 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 72% | 0.724 | 76% | 0.763 | S | S | * | * | | | trans | 45.7 | 143.6 | 147.1 | -90.4 | 174.6 | -29.6 | 0 | 0 | 124.3 | | |
| 635 | N | 27.4 | Very low | 28.5 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 65% | 0.647 | 76% | 0.762 | S | S | * | * | | | trans | 73.2 | 148.5 | 149.7 | -69.5 | 38.7 | 0 | 0 | 0 | 118.2 | | |
| 636 | D | 31.7 | Very low | 28.4 | Very low | 116 Ų | 116 | 149.4 Ų | 149.4 | 62% | 0.62 | 76% | 0.758 | S | S | * | * | | | cis | -152.2 | 165.7 | -0.6 | -131.7 | -30.5 | 0 | 0 | 0 | 116.2 | | |
| 637 | Q | 32.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | 64.5 | 137.7 | 153.1 | -75.1 | 171 | 53.4 | 0 | 0 | 123.1 | | |
| 638 | K | 28.4 | Very low | 28.4 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 84% | 0.839 | 76% | 0.758 | S | S | * | * | | | trans | -82.9 | 160.8 | 175.3 | -61.2 | 165 | 175 | 170.3 | 0 | 111.7 | | |
| 639 | S | 31.6 | Very low | 28.3 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | | | trans | -135.9 | 148.4 | 136.5 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 640 | N | 26.1 | Very low | 28.3 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | trans | -99.5 | 138.3 | 178.4 | -58.9 | -41.3 | 0 | 0 | 0 | 109.2 | | |
| 641 | V | 29.6 | Very low | 28.2 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | trans | -131.7 | 116.3 | 165.3 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 642 | T | 25 | Very low | 28.4 | Very low | 126 Ų | 126 | 149 Ų | 149 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | -74.9 | 129.8 | 170.6 | -56.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 643 | V | 29.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 145.3 Ų | 145.3 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | trans | -109.8 | 106.4 | 172.8 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 644 | T | 26.7 | Very low | 28.4 | Very low | 117 Ų | 117 | 146 Ų | 146 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 145.7 | 177.7 | -48.7 | 0 | 0 | 0 | 0 | 110.8 | P646 | T644-P646 WeakPolarHBondContact O-CD 3.3Š|
| 645 | R | 23.8 | Very low | 28.5 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 129.7 | 177.2 | -74.1 | 176 | 168.4 | 158.2 | -5.7 | 112.3 | | |
| 646 | P | 28.9 | Very low | 28.6 | Very low | 96 Ų | 96 | 148.4 Ų | 148.4 | 62% | 0.623 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 136.9 | 158.3 | -3 | 21.8 | 0 | 0 | 0 | 110.4 | T644 F648 | T644-P646 WeakPolarHBondContact O-CD 3.3Å; P646-F648 HydrophobicContact CB-CD2 4.31Å; P646-F648 HydrophobicContact CB-CE2 3.81Å; P646-F648 HydrophobicContact CB-CZ 4.37Å; P646-F648 HydrophobicContact CG-CE2 4.13Å |
| 647 | N | 26.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 148.2 Ų | 148.2 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 131.1 | 163 | -64.2 | -38.3 | 0 | 0 | 0 | 108.2 | | |
| 648 | F | 29.9 | Very low | 28.3 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 131.1 | 176 | -81.5 | -83.9 | 0 | 0 | 0 | 111.8 | P646 | P646-F648 HydrophobicContact CB-CD2 4.31Å; P646-F648 HydrophobicContact CB-CE2 3.81Å; P646-F648 HydrophobicContact CB-CZ 4.37Å; P646-F648 HydrophobicContact CG-CE2 4.13Å |
| 649 | L | 28.2 | Very low | 28.4 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | trans | -116.4 | 135.7 | 174.2 | -81.2 | 163.7 | 0 | 0 | 0 | 109.2 | | |
| 650 | S | 27.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | | | trans | 53.4 | 76 | 147.3 | -53.4 | 0 | 0 | 0 | 0 | 118.6 | F652 | S650-F652 PolarHBondContact O-N 2.71Å; S650-F652 VanDerWaalsContact O-N 3.07Å |
| 651 | D | 29.7 | Very low | 28.4 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -73.4 | 93 | 166.5 | -74.8 | -44.7 | 0 | 0 | 0 | 112.6 | | |
| 652 | F | 29.2 | Very low | 28.4 | Very low | 195 Ų | 195 | 150.9 Ų | 150.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | | | trans | -94.9 | 109.8 | 157.8 | -83.4 | -82.8 | 0 | 0 | 0 | 109.5 | S650 L654 | S650-F652 PolarHBondContact O-N 2.71Å; S650-F652 VanDerWaalsContact O-N 3.07Å; F652-L654 PolarHBondContact O-N 2.89Å |
| 653 | I | 30.2 | Very low | 28.5 | Very low | 156 Ų | 156 | 150.6 Ų | 150.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -72.6 | 97 | 178.9 | -59.7 | 179.5 | 0 | 0 | 0 | 110.1 | I655 | I653-I655 PolarHBondContact O-N 3.38Š|
| 654 | L | 26.8 | Very low | 28.7 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | -80.2 | 99.8 | 172.3 | -177.7 | 71.9 | 0 | 0 | 0 | 110.5 | F652 K656 | F652-L654 PolarHBondContact O-N 2.89Å; L654-K656 HydrophobicContact CD2-CG 4.28Å; L654-K656 HydrophobicContact CG-CG 4.42Å; L654-K656 PolarHBondContact O-N 3.42Å; L654-K656 VanDerWaalsContact O-N 3.1Å |
| 655 | I | 30.2 | Very low | 28.9 | Very low | 156 Ų | 156 | 151 Ų | 151 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -66.3 | 108.1 | 170.8 | -57 | 176.1 | 0 | 0 | 0 | 108.8 | I653 | I653-I655 PolarHBondContact O-N 3.38Š|
| 656 | K | 30.4 | Very low | 29.3 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 74% | 0.739 | 79% | 0.789 | S | S | * | * | | | trans | -87.2 | 128.4 | 173.3 | -74.6 | -175.2 | 178.1 | 176.4 | 0 | 110.7 | L654 | L654-K656 HydrophobicContact CD2-CG 4.28Å; L654-K656 HydrophobicContact CG-CG 4.42Å; L654-K656 PolarHBondContact O-N 3.42Å; L654-K656 VanDerWaalsContact O-N 3.1Å |
| 657 | S | 28 | Very low | 29.5 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -66.8 | 144.1 | 177.1 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | R659 | S657-R659 PolarHBondContact O-N 2.91Š|
| 658 | T | 29.5 | Very low | 29.8 | Very low | 138 Ų | 138 | 157.7 Ų | 157.7 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -92.9 | 63.4 | -172.9 | 42.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 659 | R | 29.8 | Very low | 30 | Very low | 224 Ų | 224 | 155.2 Ų | 155.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | trans | -138.2 | 126.3 | 163.6 | -67.4 | -169.6 | -179.2 | -177.4 | 0.8 | 111.4 | S657 | S657-R659 PolarHBondContact O-N 2.91Š|
| 660 | P | 27.7 | Very low | 30.1 | Very low | 108 Ų | 108 | 150.7 Ų | 150.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -72.4 | -173.6 | 160.1 | 34.4 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 661 | D | 30.2 | Very low | 30.7 | Very low | 153 Ų | 153 | 151.5 Ų | 151.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 72.2 | 44.3 | 165.1 | -48.6 | -28.1 | 0 | 0 | 0 | 118.3 | | |
| 662 | Q | 30.8 | Very low | 31.3 | Very low | 185 Ų | 185 | 148.7 Ų | 148.7 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -156.2 | 132.6 | 143.4 | -124.2 | -177.9 | 23.9 | 0 | 0 | 114.5 | | |
| 663 | P | 27 | Very low | 31.8 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -97.9 | 127 | 169.8 | 34.6 | -29.1 | 0 | 0 | 0 | 112 | | |
| 664 | S | 32.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -159.3 | 115.3 | 160.7 | -88.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 665 | I | 32 | Very low | 33.2 | Very low | 148 Ų | 148 | 145.1 Ų | 145.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | 19.3 | 108.5 | 144.6 | -52.1 | 173.5 | 0 | 0 | 0 | 116.6 | R667 | I665-R667 PolarHBondContact O-N 3.42Š|
| 666 | K | 32.1 | Very low | 33.4 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 75% | 0.746 | S | S | * | * | | | trans | -76.4 | 119.1 | 161.7 | -66.1 | -179.1 | -179.9 | 180 | 0 | 110.5 | | |
| 667 | R | 31.7 | Very low | 33.8 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | | | trans | -116.9 | 124.1 | 149.3 | -82.6 | -174.3 | 168.5 | 125.5 | -2.3 | 107.8 | I665 | I665-R667 PolarHBondContact O-N 3.42Š|
| 668 | L | 33.3 | Very low | 34.2 | Very low | 180 Ų | 180 | 151.1 Ų | 151.1 | 94% | 0.942 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78 | 119.9 | 170.6 | -74.4 | 168.7 | 0 | 0 | 0 | 107.6 | | |
| 669 | I | 34.3 | Very low | 34.6 | Very low | 131 Ų | 131 | 150 Ų | 150 | 67% | 0.672 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 143.8 | 173.2 | -66.4 | 176.7 | 0 | 0 | 0 | 108 | D673 | I669-D673 HydrophobicContact CG2-CB 3.57Å; I669-D673 WeakPolarHBondContact CG2-OD2 3.42Å |
| 670 | S | 30.5 | Very low | 35.1 | Very low | 59 Ų | 59 | 146.2 Ų | 146.2 | 41% | 0.413 | 75% | 0.748 | S | S | . | * | P | Polyproline II helix | trans | -75.9 | 149.2 | -176.4 | -170.1 | 0 | 0 | 0 | 0 | 111.1 | D672 D673 | S670-D672 PolarHBondContact O-N 2.77Å; S670-D673 WeakPolarHBondContact CB-OD2 3.42Å; S670-D673 PolarHBondContact N-OD2 3.15Å; S670-D673 PolarHBondContact O-N 3.48Å; S670-D673 VanDerWaalsContact O-N 3.11Å |
| 671 | P | 40 | Very low | 35.3 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -16.5 | 172.7 | -27.5 | 36.6 | 0 | 0 | 0 | 115.3 | | |
| 672 | D | 41.9 | Very low | 35.5 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 53% | 0.529 | 76% | 0.758 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.7 | -21.7 | 177.7 | -77.5 | -64.2 | 0 | 0 | 0 | 115.1 | S670 L674 K675 | S670-D672 PolarHBondContact O-N 2.77Å; D672-L674 PolarHBondContact O-N 3.23Å; D672-K675 IonicContact OD1-NZ 2.79Å; D672-K675 PolarHBondContact OD1-NZ 3.44Å |
| 673 | D | 40.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 153.4 Ų | 153.4 | 58% | 0.583 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -9.8 | -171.9 | -67.4 | -52.4 | 0 | 0 | 0 | 113.9 | I669 S670 K675 | I669-D673 HydrophobicContact CG2-CB 3.57Å; I669-D673 WeakPolarHBondContact CG2-OD2 3.42Å; S670-D673 WeakPolarHBondContact CB-OD2 3.42Å; S670-D673 PolarHBondContact N-OD2 3.15Å; S670-D673 PolarHBondContact O-N 3.48Å; S670-D673 VanDerWaalsContact O-N 3.11Å; D673-K675 VanDerWaalsContact C-N 3.31Å; D673-K675 PolarHBondContact O-N 3.1Å |
| 674 | L | 42.6 | Very low | 35.9 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 4.6 | -176.2 | -81.9 | 163.5 | 0 | 0 | 0 | 115 | D672 N676 | D672-L674 PolarHBondContact O-N 3.23Å; L674-N676 VanDerWaalsContact C-N 3.34Å; L674-N676 PolarHBondContact O-N 2.93Å |
| 675 | K | 43.1 | Very low | 35.6 | Very low | 154 Ų | 154 | 159.6 Ų | 159.6 | 67% | 0.67 | 76% | 0.758 | S | S | * | * | | | trans | -84.2 | 13.3 | -169.1 | -69.7 | 170.2 | 179.8 | 167.7 | 0 | 116.2 | D672 D673 | D672-K675 IonicContact OD1-NZ 2.79Å; D672-K675 PolarHBondContact OD1-NZ 3.44Å; D673-K675 VanDerWaalsContact C-N 3.31Å; D673-K675 PolarHBondContact O-N 3.1Å |
| 676 | N | 35.2 | Very low | 35.7 | Very low | 130 Ų | 130 | 159.5 Ų | 159.5 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -129.3 | 105.9 | -177.6 | -82.9 | -49 | 0 | 0 | 0 | 113.2 | L674 R678 | L674-N676 VanDerWaalsContact C-N 3.34Å; L674-N676 PolarHBondContact O-N 2.93Å; N676-R678 PolarHBondContact O-N 3.14Å |
| 677 | E | 36.8 | Very low | 35.7 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -8.1 | -173.8 | -67.2 | -175.2 | 113.6 | 0 | 0 | 116.8 | | |
| 678 | R | 38.2 | Very low | 35.4 | Very low | 243 Ų | 243 | 151.3 Ų | 151.3 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -4.5 | -165.8 | -71 | -176.7 | 173.8 | 171.2 | -1.1 | 115.9 | N676 | N676-R678 PolarHBondContact O-N 3.14Š|
| 679 | T | 37.7 | Very low | 35.1 | Very low | 116 Ų | 116 | 148.6 Ų | 148.6 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -101.8 | -9.1 | -170 | -34.1 | 0 | 0 | 0 | 0 | 114.5 | R681 | T679-R681 PolarHBondContact O-N 3.31Š|
| 680 | I | 38.6 | Very low | 35.1 | Very low | 144 Ų | 144 | 150 Ų | 150 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | | | trans | -78.6 | -18.2 | -166.5 | -64 | 172.8 | 0 | 0 | 0 | 113.8 | K682 | I680-K682 VanDerWaalsContact C-N 3.35Å; I680-K682 PolarHBondContact O-N 3.33Å; I680-K682 VanDerWaalsContact O-N 3.09Å |
| 681 | R | 33.8 | Very low | 34.9 | Very low | 245 Ų | 245 | 153.6 Ų | 153.6 | 93% | 0.925 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | 30.5 | -169.9 | -68.5 | -170.6 | 173 | -165.5 | -2.2 | 116.6 | T679 | T679-R681 PolarHBondContact O-N 3.31Š|
| 682 | K | 34.4 | Very low | 34.6 | Very low | 183 Ų | 183 | 156 Ų | 156 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.9 | 10.3 | -172.7 | -90.2 | -166.2 | 174.6 | -175.1 | 0 | 119.5 | I680 | I680-K682 VanDerWaalsContact C-N 3.35Å; I680-K682 PolarHBondContact O-N 3.33Å; I680-K682 VanDerWaalsContact O-N 3.09Å |
| 683 | H | 35.6 | Very low | 33.7 | Very low | 169 Ų | 169 | 158.5 Ų | 158.5 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -124.2 | 114.3 | 171.9 | -72.4 | -83.9 | 0 | 0 | 0 | 112.8 | | |
| 684 | Y | 29.7 | Very low | 33.2 | Very low | 197 Ų | 197 | 161.4 Ų | 161.4 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | 7.1 | 122.5 | 158.5 | -55.5 | -92.3 | 0 | 0 | 0 | 117.5 | | |
| 685 | N | 26 | Very low | 32.2 | Very low | 163 Ų | 163 | 159.3 Ų | 159.3 | 87% | 0.872 | 78% | 0.776 | S | S | * | * | | | cis | 68.3 | 66.1 | 18.4 | -140.5 | 34.9 | 0 | 0 | 0 | 115.4 | | |
| 686 | I | 33.5 | Very low | 31.5 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | | | trans | -132.7 | 109.4 | 158.4 | -63.8 | -176.4 | 0 | 0 | 0 | 109.3 | | |
| 687 | T | 32.7 | Very low | 30.9 | Very low | 119 Ų | 119 | 158.4 Ų | 158.4 | 73% | 0.73 | 78% | 0.782 | S | S | * | * | | | trans | -8 | 158.8 | 150.4 | 52.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 688 | N | 26 | Very low | 30.4 | Very low | 136 Ų | 136 | 156.1 Ų | 156.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | cis | -177 | 156 | -29.6 | -134.1 | 23.7 | 0 | 0 | 0 | 108 | | |
| 689 | N | 27.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 151.3 Ų | 151.3 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | | | trans | 65.1 | 156.2 | 168.6 | -48.4 | 0.5 | 0 | 0 | 0 | 115.1 | | |
| 690 | H | 33 | Very low | 29.3 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 75% | 0.745 | 76% | 0.763 | S | S | * | * | | | cis | -125.9 | 165.9 | 5.6 | -104.3 | -67 | 0 | 0 | 0 | 112.9 | | |
| 691 | D | 27.1 | Very low | 28.8 | Very low | 135 Ų | 135 | 152.5 Ų | 152.5 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | -61.3 | 147.5 | 175.8 | -42.7 | -101.6 | 0 | 0 | 0 | 113.5 | | |
| 692 | L | 32.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 149.1 Ų | 149.1 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | | -164.1 | 132.4 | 122.5 | -109.3 | 161.2 | 0 | 0 | 0 | 111.3 | | |
| 693 | N | 24.5 | Very low | 28.4 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | | | trans | -69.4 | 132.8 | 171.9 | -67 | -67.2 | 0 | 0 | 0 | 110 | | |
| 694 | Q | 28.5 | Very low | 28 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | | | trans | -147.9 | 92 | 153.7 | -135.5 | 159.9 | 88.8 | 0 | 0 | 112.2 | V696 | Q694-V696 PolarHBondContact O-N 3.18Š|
| 695 | S | 22.8 | Very low | 28 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | trans | -59 | 118.4 | 156.5 | 47.4 | 0 | 0 | 0 | 0 | 109.6 | L697 | S695-L697 VanDerWaalsContact C-N 3.29Å; S695-L697 PolarHBondContact O-N 2.89Å |
| 696 | V | 27.2 | Very low | 28.4 | Very low | 112 Ų | 112 | 151 Ų | 151 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | -98.7 | 57.7 | 170.6 | -167.2 | 0 | 0 | 0 | 0 | 109.6 | Q694 L698 | Q694-V696 PolarHBondContact O-N 3.18Å; V696-L698 VanDerWaalsContact C-N 3.32Å; V696-L698 HydrophobicContact CG1-CD1 3.89Å; V696-L698 HydrophobicContact CG1-CG 3.85Å; V696-L698 PolarHBondContact O-N 3.42Å |
| 697 | L | 23.7 | Very low | 28.1 | Very low | 154 Ų | 154 | 149.9 Ų | 149.9 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | -77.4 | 91.2 | 150.1 | -99.8 | 166.8 | 0 | 0 | 0 | 105.9 | S695 Q699 | S695-L697 VanDerWaalsContact C-N 3.29Å; S695-L697 PolarHBondContact O-N 2.89Å; L697-Q699 PolarHBondContact O-N 3.02Å |
| 698 | L | 26 | Very low | 28.1 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | trans | -79.5 | 83.2 | 167.3 | -79.4 | 169.8 | 0 | 0 | 0 | 108.5 | V696 N700 | V696-L698 VanDerWaalsContact C-N 3.32Å; V696-L698 HydrophobicContact CG1-CD1 3.89Å; V696-L698 HydrophobicContact CG1-CG 3.85Å; V696-L698 PolarHBondContact O-N 3.42Å; L698-N700 PolarHBondContact O-N 2.82Å |
| 699 | Q | 25.4 | Very low | 28.3 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | -69.6 | 84.8 | 161.5 | 175.8 | 169.1 | -21.4 | 0 | 0 | 107.7 | L697 E701 | L697-Q699 PolarHBondContact O-N 3.02Å; Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 HydrophobicContact CG-CG 4.12Å; Q699-E701 PolarHBondContact NE2-OE1 2.81Å; Q699-E701 PolarHBondContact O-N 3.17Å; Q699-E701 VanDerWaalsContact O-N 3.13Å |
| 700 | N | 27.8 | Very low | 28.4 | Very low | 136 Ų | 136 | 153.6 Ų | 153.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -71.8 | 98.3 | 159.2 | -76.6 | 16.8 | 0 | 0 | 0 | 106.7 | L698 | L698-N700 PolarHBondContact O-N 2.82Š|
| 701 | E | 27.9 | Very low | 28.2 | Very low | 150 Ų | 150 | 155.7 Ų | 155.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | | | trans | -66.5 | 148.8 | 153.6 | -75.6 | 168.9 | -179.3 | 0 | 0 | 108.5 | Q699 | Q699-E701 VanDerWaalsContact C-N 3.34Å; Q699-E701 HydrophobicContact CG-CG 4.12Å; Q699-E701 PolarHBondContact NE2-OE1 2.81Å; Q699-E701 PolarHBondContact O-N 3.17Å; Q699-E701 VanDerWaalsContact O-N 3.13Å |
| 702 | E | 29.6 | Very low | 28.2 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 75.5 | 123.8 | -169.3 | -49.1 | -171.8 | 164 | 0 | 0 | 116.1 | | |
| 703 | Q | 29.6 | Very low | 28.1 | Very low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | 82.2 | 104 | 173.6 | -48.8 | -166.4 | 18.7 | 0 | 0 | 118.1 | E705 | Q703-E705 PolarHBondContact O-N 3.01Å; Q703-E705 VanDerWaalsContact O-N 3.15Å |
| 704 | D | 28.2 | Very low | 28.1 | Very low | 177 Ų | 177 | 154.6 Ų | 154.6 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | | | trans | -72.8 | 86.8 | 172.7 | -71.8 | -70.6 | 0 | 0 | 0 | 113 | | |
| 705 | E | 29.1 | Very low | 28.1 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -144.5 | 129.3 | 166.4 | -150.5 | 172.5 | -149.3 | 0 | 0 | 114.7 | Q703 V707 | Q703-E705 PolarHBondContact O-N 3.01Å; Q703-E705 VanDerWaalsContact O-N 3.15Å; E705-V707 PolarHBondContact O-N 3.42Å |
| 706 | F | 33.5 | Very low | 28.5 | Very low | 212 Ų | 212 | 153 Ų | 153 | 93% | 0.93 | 78% | 0.779 | S | S | * | * | | | trans | -89 | 98.5 | -178 | -86.8 | -89.7 | 0 | 0 | 0 | 112.3 | | |
| 707 | V | 28.7 | Very low | 28.8 | Very low | 121 Ų | 121 | 153 Ų | 153 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 124.3 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | E705 | E705-V707 PolarHBondContact O-N 3.42Š|
| 708 | P | 32.7 | Very low | 29.2 | Very low | 98 Ų | 98 | 153.2 Ų | 153.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 124 | 178.1 | 31.1 | -33.3 | 0 | 0 | 0 | 112.5 | I710 | P708-I710 PolarHBondContact O-N 2.91Š|
| 709 | F | 29 | Very low | 29.5 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 90% | 0.895 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 117.1 | 173.5 | -86.7 | -93.1 | 0 | 0 | 0 | 112.2 | | |
| 710 | I | 29.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 120.8 | 169.2 | -59.7 | 176.3 | 0 | 0 | 0 | 108.7 | P708 S712 | P708-I710 PolarHBondContact O-N 2.91Å; I710-S712 PolarHBondContact O-N 3.5Å |
| 711 | Y | 29.8 | Very low | 30 | Very low | 205 Ų | 205 | 153.5 Ų | 153.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -69.3 | 115.3 | 172.6 | -80.5 | -87.9 | 0 | 0 | 0 | 110.6 | V713 | Y711-V713 PolarHBondContact O-N 2.84Š|
| 712 | S | 25.4 | Very low | 30.3 | Very low | 106 Ų | 106 | 155.3 Ų | 155.3 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | -81.8 | 105 | 177.4 | -170.9 | 0 | 0 | 0 | 0 | 111 | I710 K714 | I710-S712 PolarHBondContact O-N 3.5Å; S712-K714 PolarHBondContact O-N 2.82Å |
| 713 | V | 30.5 | Very low | 30.4 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | -80.2 | 108.7 | 176.9 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | Y711 D715 | Y711-V713 PolarHBondContact O-N 2.84Å; V713-D715 PolarHBondContact O-N 2.68Å; V713-D715 VanDerWaalsContact O-N 3.11Å |
| 714 | K | 26 | Very low | 30.3 | Very low | 191 Ų | 191 | 154.6 Ų | 154.6 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -80.6 | 82.4 | 173.9 | -67.5 | -179.7 | 178.5 | 178.3 | 0 | 110.9 | S712 | S712-K714 PolarHBondContact O-N 2.82Š|
| 715 | D | 28 | Very low | 30.4 | Very low | 120 Ų | 120 | 154.6 Ų | 154.6 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | | | trans | 179.1 | 112 | 135.9 | -93.8 | -19.2 | 0 | 0 | 0 | 110.9 | V713 T717 | V713-D715 PolarHBondContact O-N 2.68Å; V713-D715 VanDerWaalsContact O-N 3.11Å; D715-T717 VanDerWaalsContact C-N 3.31Å; D715-T717 PolarHBondContact O-N 3.17Å |
| 716 | P | 29.9 | Very low | 30.4 | Very low | 121 Ų | 121 | 153.4 Ų | 153.4 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | 11 | -169.1 | 34.5 | -36.8 | 0 | 0 | 0 | 115 | | |
| 717 | T | 34.1 | Very low | 30.1 | Very low | 113 Ų | 113 | 151.2 Ų | 151.2 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -6.3 | -164.2 | 47 | 0 | 0 | 0 | 0 | 115.9 | D715 | D715-T717 VanDerWaalsContact C-N 3.31Å; D715-T717 PolarHBondContact O-N 3.17Å |
| 718 | L | 33.2 | Very low | 30.2 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -107.7 | 17 | -176.1 | -63 | 179.4 | 0 | 0 | 0 | 114.8 | N720 | L718-N720 PolarHBondContact O-N 3.41Š|
| 719 | L | 32 | Very low | 30 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | | | trans | -86.2 | 100.4 | -179.4 | -109 | 163.2 | 0 | 0 | 0 | 112.3 | N723 | L719-N723 HydrophobicContact CD2-CB 4.36Š|
| 720 | N | 31.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 150.2 Ų | 150.2 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | | | trans | -69.4 | 156.2 | -176.8 | -145.1 | -25.4 | 0 | 0 | 0 | 113 | L718 H722 | L718-N720 PolarHBondContact O-N 3.41Å; N720-H722 VanDerWaalsContact C-N 3.32Å; N720-H722 PolarHBondContact O-N 2.64Å |
| 721 | H | 31.6 | Very low | 29.8 | Very low | 154 Ų | 154 | 151.8 Ų | 151.8 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 55.3 | -160.6 | -83 | -71.4 | 0 | 0 | 0 | 117.1 | | |
| 722 | H | 34.2 | Very low | 29.8 | Very low | 187 Ų | 187 | 146.5 Ų | 146.5 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.9 | -6.2 | 169.9 | -105.6 | 29.8 | 0 | 0 | 0 | 116.4 | N720 | N720-H722 VanDerWaalsContact C-N 3.32Å; N720-H722 PolarHBondContact O-N 2.64Å |
| 723 | N | 31.6 | Very low | 29.9 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | | | trans | -120.5 | 48.5 | 179.3 | -66.9 | -29.4 | 0 | 0 | 0 | 111.9 | L719 | L719-N723 HydrophobicContact CD2-CB 4.36Š|
| 724 | R | 28.4 | Very low | 29.8 | Very low | 214 Ų | 214 | 150.3 Ų | 150.3 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -115.6 | 35.9 | -172.4 | -123 | -168.7 | -167.1 | -138.1 | 5.2 | 115.4 | | |
| 725 | E | 28.9 | Very low | 29.9 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -140.4 | 164.6 | 161.4 | -70 | -161.6 | 148.5 | 0 | 0 | 110.8 | | |
| 726 | L | 30.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | 71.4 | 38.2 | 170.6 | -48.3 | -174.4 | 0 | 0 | 0 | 117.8 | | |
| 727 | L | 27.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | S | Bend | | -100 | 153.3 | 120.4 | -93 | 166.3 | 0 | 0 | 0 | 107.6 | | |
| 728 | I | 30 | Very low | 29.4 | Very low | 142 Ų | 142 | 154.1 Ų | 154.1 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 80.9 | 105.3 | -171.6 | -50 | 166.3 | 0 | 0 | 0 | 114.1 | | |
| 729 | N | 28.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 156 Ų | 156 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | 66.9 | 153.6 | 152.4 | -59.3 | -5.4 | 0 | 0 | 0 | 120.9 | | |
| 730 | S | 26 | Very low | 29.8 | Very low | 105 Ų | 105 | 155.1 Ų | 155.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -107.8 | 116.6 | -171.7 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 731 | H | 28.3 | Very low | 30.4 | Very low | 186 Ų | 186 | 153 Ų | 153 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -172.3 | 167.2 | 134.8 | -114.3 | -113.1 | 0 | 0 | 0 | 109.7 | | |
| 732 | P | 29.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 149.8 Ų | 149.8 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | | | trans | -102.9 | 173.1 | -162.3 | 40.3 | -36.4 | 0 | 0 | 0 | 115.6 | | |
| 733 | E | 26.9 | Very low | 32.9 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | | | trans | 70.6 | 130.5 | 170.9 | -49.1 | -168.2 | 107.7 | 0 | 0 | 115.1 | | |
| 734 | L | 29 | Very low | 34.4 | Very low | 137 Ų | 137 | 144.5 Ų | 144.5 | 72% | 0.717 | 74% | 0.738 | S | S | * | * | | | cis | -144.9 | 140 | 30.1 | -76.7 | 165.6 | 0 | 0 | 0 | 114.9 | | |
| 735 | Q | 27.4 | Very low | 35.8 | Very low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | | | trans | 31.3 | 123.5 | 140.5 | -54.1 | -179 | 10.1 | 0 | 0 | 121.8 | | |
| 736 | S | 26.2 | Very low | 37.6 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | | | | -166.8 | 156.5 | 107.8 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 737 | N | 26.5 | Very low | 39.1 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 68% | 0.677 | S | S | * | * | | | trans | 58.1 | 58.6 | 153.3 | -61.3 | -17.8 | 0 | 0 | 0 | 120.8 | | |
| 738 | Q | 30.5 | Very low | 41.1 | Very low | 183 Ų | 183 | 124.9 Ų | 124.9 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -132 | 151.9 | 136.2 | -74.4 | -160.7 | -4.4 | 0 | 0 | 111 | I740 | Q738-I740 PolarHBondContact O-N 2.85Š|
| 739 | Q | 34.2 | Very low | 42.7 | Very low | 200 Ų | 200 | 123 Ų | 123 | 94% | 0.935 | 64% | 0.64 | S | S | * | * | | | trans | -73.9 | 86.4 | -171.1 | -172.8 | 175.3 | -3 | 0 | 0 | 111.4 | D741 | Q739-D741 PolarHBondContact O-N 3.02Š|
| 740 | I | 38.2 | Very low | 44.2 | Very low | 110 Ų | 110 | 124.3 Ų | 124.3 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | | | trans | -60.4 | 124.6 | 176.1 | -67.4 | 170.8 | 0 | 0 | 0 | 109.6 | Q738 V742 L745 | Q738-I740 PolarHBondContact O-N 2.85Å; I740-V742 PolarHBondContact O-N 2.88Å; I740-L745 HydrophobicContact CG2-CB 4.17Å; I740-L745 HydrophobicContact CG2-CD1 4.32Å; I740-L745 HydrophobicContact CG2-CD2 4.39Å |
| 741 | D | 44.3 | Very low | 45.9 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 52% | 0.519 | 62% | 0.621 | S | S | . | * | | | trans | -63.8 | 110.6 | 170.9 | 174.4 | 19.7 | 0 | 0 | 0 | 109.9 | Q739 A743 W744 L745 | Q739-D741 PolarHBondContact O-N 3.02Å; D741-A743 PolarHBondContact O-N 3.42Å; D741-A743 VanDerWaalsContact OD1-CB 3.29Å; D741-A743 WeakPolarHBondContact OD1-CB 3.35Å; D741-A743 PolarHBondContact OD1-N 3.33Å; D741-W744 HydrophobicContact CB-CB 3.95Å; D741-W744 WeakPolarHBondContact O-CB 3.43Å; D741-W744 PolarHBondContact O-N 2.87Å; D741-W744 VanDerWaalsContact O-N 3.07Å; D741-W744 PolarHBondContact OD2-N 3.16Å; D741-W744 VanDerWaalsContact OD2-N 3.17Å; D741-L745 PolarHBondContact O-N 3.14Å |
| 742 | V | 58.1 | Low | 46.9 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 53% | 0.527 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.4 | -24.6 | 178.7 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | I740 K746 | I740-V742 PolarHBondContact O-N 2.88Å; V742-K746 HydrophobicContact CG1-CD 3.96Å; V742-K746 HydrophobicContact CG1-CG 4.49Å; V742-K746 VanDerWaalsContact O-CB 3.27Å; V742-K746 WeakPolarHBondContact O-CB 3.32Å; V742-K746 WeakPolarHBondContact O-CD 3.29Å; V742-K746 WeakPolarHBondContact O-CG 3.23Å; V742-K746 PolarHBondContact O-N 3Å; V742-K746 VanDerWaalsContact O-N 3.15Å |
| 743 | A | 60.9 | Low | 47.9 | Very low | 65 Ų | 65 | 121.8 Ų | 121.8 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -74.7 | -38.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D741 A747 | D741-A743 PolarHBondContact O-N 3.42Å; D741-A743 VanDerWaalsContact OD1-CB 3.29Å; D741-A743 WeakPolarHBondContact OD1-CB 3.35Å; D741-A743 PolarHBondContact OD1-N 3.33Å; A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 2.85Å |
| 744 | W | 62.2 | Low | 49 | Very low | 144 Ų | 144 | 118.6 Ų | 118.6 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.7 | -50.1 | 172 | -172.9 | 87.8 | 0 | 0 | 0 | 111.5 | D741 K746 A747 Q748 | D741-W744 HydrophobicContact CB-CB 3.95Å; D741-W744 WeakPolarHBondContact O-CB 3.43Å; D741-W744 PolarHBondContact O-N 2.87Å; D741-W744 VanDerWaalsContact O-N 3.07Å; D741-W744 PolarHBondContact OD2-N 3.16Å; D741-W744 VanDerWaalsContact OD2-N 3.17Å; W744-K746 VanDerWaalsContact C-N 3.32Å; W744-K746 PolarHBondContact O-N 3.14Å; W744-A747 WeakPolarHBondContact O-CA 3.33Å; W744-A747 WeakPolarHBondContact O-CB 3.2Å; W744-A747 PolarHBondContact O-N 2.58Å; W744-Q748 HydrophobicContact CH2-CG 4.38Å; W744-Q748 HydrophobicContact CZ3-CG 4.45Å; W744-Q748 PolarHBondContact O-N 3.24Å; W744-Q748 PolarHBondContact O-OE1 2.85Å |
| 745 | L | 58.7 | Low | 49.8 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 38% | 0.377 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.7 | -38.9 | -179.3 | -154.8 | 74.8 | 0 | 0 | 0 | 112 | I740 D741 A747 Q748 Q749 | I740-L745 HydrophobicContact CG2-CB 4.17Å; I740-L745 HydrophobicContact CG2-CD1 4.32Å; I740-L745 HydrophobicContact CG2-CD2 4.39Å; D741-L745 PolarHBondContact O-N 3.14Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 2.8Å; L745-Q748 PolarHBondContact O-N 3.38Å; L745-Q749 WeakPolarHBondContact O-CB 3.11Å; L745-Q749 WeakPolarHBondContact O-CG 3.48Å; L745-Q749 PolarHBondContact O-N 3.45Å |
| 746 | K | 65.6 | Low | 50.4 | Low | 122 Ų | 122 | 112.5 Ų | 112.5 | 53% | 0.53 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.9 | -22 | 172 | -73.3 | 173.3 | -178.5 | 173.1 | 0 | 113.6 | V742 W744 R750 | V742-K746 HydrophobicContact CG1-CD 3.96Å; V742-K746 HydrophobicContact CG1-CG 4.49Å; V742-K746 VanDerWaalsContact O-CB 3.27Å; V742-K746 WeakPolarHBondContact O-CB 3.32Å; V742-K746 WeakPolarHBondContact O-CD 3.29Å; V742-K746 WeakPolarHBondContact O-CG 3.23Å; V742-K746 PolarHBondContact O-N 3Å; V742-K746 VanDerWaalsContact O-N 3.15Å; W744-K746 VanDerWaalsContact C-N 3.32Å; W744-K746 PolarHBondContact O-N 3.14Å; K746-R750 WeakPolarHBondContact O-CB 3.45Å; K746-R750 WeakPolarHBondContact O-CG 3.43Å; K746-R750 PolarHBondContact O-N 2.87Å |
| 747 | A | 63 | Low | 51 | Low | 28 Ų | 28 | 113.9 Ų | 113.9 | 23% | 0.231 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -77.8 | -44 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | A743 W744 L745 R750 I751 | A743-A747 WeakPolarHBondContact O-CB 3.37Å; A743-A747 PolarHBondContact O-N 2.85Å; W744-A747 WeakPolarHBondContact O-CA 3.33Å; W744-A747 WeakPolarHBondContact O-CB 3.2Å; W744-A747 PolarHBondContact O-N 2.58Å; L745-A747 VanDerWaalsContact C-N 3.29Å; L745-A747 PolarHBondContact O-N 2.8Å; A747-R750 PolarHBondContact O-N 3.42Å; A747-I751 WeakPolarHBondContact O-CG1 3.21Å; A747-I751 PolarHBondContact O-N 3.1Å |
| 748 | Q | 69.4 | Low | 51.6 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 34% | 0.336 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -54.2 | -54.8 | 170.5 | -111 | 66.9 | 1.6 | 0 | 0 | 111.1 | W744 L745 R750 I751 E752 | W744-Q748 HydrophobicContact CH2-CG 4.38Å; W744-Q748 HydrophobicContact CZ3-CG 4.45Å; W744-Q748 PolarHBondContact O-N 3.24Å; W744-Q748 PolarHBondContact O-OE1 2.85Å; L745-Q748 PolarHBondContact O-N 3.38Å; Q748-R750 VanDerWaalsContact C-N 3.27Å; Q748-R750 PolarHBondContact O-N 2.63Å; Q748-I751 WeakPolarHBondContact O-CA 3.33Å; Q748-I751 PolarHBondContact O-N 2.73Å; Q748-E752 PolarHBondContact O-N 2.65Å |
| 749 | Q | 63.4 | Low | 51.8 | Low | 102 Ų | 102 | 108.8 Ų | 108.8 | 48% | 0.477 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.5 | -35.6 | 178.6 | -72.4 | 173.1 | -19.1 | 0 | 0 | 112.5 | L745 L753 | L745-Q749 WeakPolarHBondContact O-CB 3.11Å; L745-Q749 WeakPolarHBondContact O-CG 3.48Å; L745-Q749 PolarHBondContact O-N 3.45Å; Q749-L753 VanDerWaalsContact O-CB 3.31Å; Q749-L753 WeakPolarHBondContact O-CB 3.36Å; Q749-L753 WeakPolarHBondContact O-CD1 3.41Å; Q749-L753 WeakPolarHBondContact O-CG 3.36Å; Q749-L753 PolarHBondContact O-N 2.86Å |
| 750 | R | 59.5 | Low | 51.6 | Low | 183 Ų | 183 | 110.3 Ų | 110.3 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 172.4 | -86.6 | 177.1 | 161.9 | 155.5 | -4 | 112.9 | K746 A747 Q748 L753 I754 | K746-R750 WeakPolarHBondContact O-CB 3.45Å; K746-R750 WeakPolarHBondContact O-CG 3.43Å; K746-R750 PolarHBondContact O-N 2.87Å; A747-R750 PolarHBondContact O-N 3.42Å; Q748-R750 VanDerWaalsContact C-N 3.27Å; Q748-R750 PolarHBondContact O-N 2.63Å; R750-L753 PolarHBondContact O-N 2.9Å; R750-I754 WeakPolarHBondContact O-CB 3.27Å; R750-I754 WeakPolarHBondContact O-CD1 3.37Å; R750-I754 WeakPolarHBondContact O-CG1 3.5Å; R750-I754 PolarHBondContact O-N 3.34Å |
| 751 | I | 62.1 | Low | 51.3 | Low | 92 Ų | 92 | 113.3 Ų | 113.3 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -40.6 | 176.8 | -68.6 | 164 | 0 | 0 | 0 | 110.4 | A747 Q748 I754 N755 | A747-I751 WeakPolarHBondContact O-CG1 3.21Å; A747-I751 PolarHBondContact O-N 3.1Å; Q748-I751 WeakPolarHBondContact O-CA 3.33Å; Q748-I751 PolarHBondContact O-N 2.73Å; I751-I754 PolarHBondContact O-N 3.27Å; I751-N755 WeakPolarHBondContact O-CB 3.07Å; I751-N755 VanDerWaalsContact O-CG 3.25Å; I751-N755 PolarHBondContact O-N 3.12Å; I751-N755 PolarHBondContact O-ND2 3.04Å |
| 752 | E | 49.8 | Very low | 50.5 | Low | 125 Ų | 125 | 112.5 Ų | 112.5 | 58% | 0.584 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.6 | -38.2 | 174.6 | -69.3 | -171.4 | 145.8 | 0 | 0 | 112.6 | Q748 I754 N755 S756 | Q748-E752 PolarHBondContact O-N 2.65Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 2.97Å; E752-N755 PolarHBondContact O-N 2.87Å; E752-S756 WeakPolarHBondContact O-CB 3.22Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.84Å |
| 753 | L | 49.4 | Very low | 49.4 | Very low | 117 Ų | 117 | 116.2 Ų | 116.2 | 61% | 0.613 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.4 | -28.1 | 172.1 | -75.4 | 166.6 | 0 | 0 | 0 | 113 | Q749 R750 N757 | Q749-L753 VanDerWaalsContact O-CB 3.31Å; Q749-L753 WeakPolarHBondContact O-CB 3.36Å; Q749-L753 WeakPolarHBondContact O-CD1 3.41Å; Q749-L753 WeakPolarHBondContact O-CG 3.36Å; Q749-L753 PolarHBondContact O-N 2.86Å; R750-L753 PolarHBondContact O-N 2.9Å; L753-N757 PolarHBondContact O-ND2 3.4Å |
| 754 | I | 50.4 | Low | 47.9 | Very low | 113 Ų | 113 | 123 Ų | 123 | 58% | 0.579 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.4 | -42.3 | 172.7 | -71.9 | 163.3 | 0 | 0 | 0 | 110.8 | R750 I751 E752 | R750-I754 WeakPolarHBondContact O-CB 3.27Å; R750-I754 WeakPolarHBondContact O-CD1 3.37Å; R750-I754 WeakPolarHBondContact O-CG1 3.5Å; R750-I754 PolarHBondContact O-N 3.34Å; I751-I754 PolarHBondContact O-N 3.27Å; E752-I754 VanDerWaalsContact C-N 3.27Å; E752-I754 PolarHBondContact O-N 2.97Å |
| 755 | N | 45.4 | Very low | 46.5 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 54% | 0.54 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76.2 | -35.6 | -176.5 | -69.1 | -14.4 | 0 | 0 | 0 | 113.1 | I751 E752 N757 N758 | I751-N755 WeakPolarHBondContact O-CB 3.07Å; I751-N755 VanDerWaalsContact O-CG 3.25Å; I751-N755 PolarHBondContact O-N 3.12Å; I751-N755 PolarHBondContact O-ND2 3.04Å; E752-N755 PolarHBondContact O-N 2.87Å; N755-N757 PolarHBondContact O-N 3.42Å; N755-N758 PolarHBondContact O-N 2.97Å |
| 756 | S | 41.1 | Very low | 45.1 | Very low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -69.2 | -17 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 114.2 | E752 | E752-S756 WeakPolarHBondContact O-CB 3.22Å; E752-S756 PolarHBondContact O-N 2.93Å; E752-S756 PolarHBondContact O-OG 2.84Å |
| 757 | N | 37.5 | Very low | 43.6 | Very low | 133 Ų | 133 | 130 Ų | 130 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -86.3 | 0.4 | -179.4 | -80.9 | -61.6 | 0 | 0 | 0 | 114.4 | L753 N755 | L753-N757 PolarHBondContact O-ND2 3.4Å; N755-N757 PolarHBondContact O-N 3.42Å |
| 758 | N | 39.2 | Very low | 42 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -105.3 | 13.8 | -177.5 | -72.3 | -46 | 0 | 0 | 0 | 114.9 | N755 | N755-N758 PolarHBondContact O-N 2.97Š|
| 759 | S | 34.2 | Very low | 40.3 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -131.7 | 37.4 | -170.6 | -159 | 0 | 0 | 0 | 0 | 115.5 | | |
| 760 | R | 30.3 | Very low | 38.7 | Very low | 232 Ų | 232 | 144 Ų | 144 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | | | trans | -143.6 | 100.7 | 167.6 | -70.8 | -170.9 | -178 | 166.1 | 2.4 | 112.3 | | |
| 761 | N | 31.8 | Very low | 37.5 | Very low | 174 Ų | 174 | 140 Ų | 140 | 93% | 0.93 | 72% | 0.72 | S | S | * | * | | | trans | 165.2 | 122.2 | 141.9 | -86.2 | -19.4 | 0 | 0 | 0 | 109.6 | | |
| 762 | G | 28.9 | Very low | 36.1 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | | | trans | 151 | 61.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 763 | I | 34.3 | Very low | 35.3 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | | | trans | -131.4 | 122.3 | 158.1 | -61.7 | -177.5 | 0 | 0 | 0 | 108.3 | | |
| 764 | R | 28.8 | Very low | 34.5 | Very low | 208 Ų | 208 | 149.4 Ų | 149.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | | | trans | -83.9 | 147.5 | 176.1 | -73.8 | -175.6 | 175.2 | -175 | 0.8 | 111 | D334 | D334-R764 IonicContact OD1-NH2 3.68Š|
| 765 | R | 34.3 | Very low | 33.8 | Very low | 252 Ų | 252 | 151.9 Ų | 151.9 | 95% | 0.951 | 76% | 0.762 | S | S | * | * | | | trans | -134.2 | 153.5 | 138.7 | -73.4 | -163.7 | 177.7 | -157.8 | -0.1 | 108.7 | | |
| 766 | S | 28.5 | Very low | 33 | Very low | 117 Ų | 117 | 152.4 Ų | 152.4 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -143.9 | 125.6 | -173.3 | 179 | 0 | 0 | 0 | 0 | 111 | | |
| 767 | C | 34.2 | Very low | 32.9 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 177.5 | 148.4 | 164.4 | -98.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 768 | R | 29.1 | Very low | 32.9 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | | | cis | -168.3 | 162.2 | -23.5 | -127 | -164.9 | -154.8 | -163.9 | 7.1 | 107 | | |
| 769 | D | 33.4 | Very low | 32.9 | Very low | 106 Ų | 106 | 152.4 Ų | 152.4 | 57% | 0.567 | 78% | 0.779 | S | S | * | * | | | trans | 69.5 | 107.4 | 150.5 | -52.3 | -23.1 | 0 | 0 | 0 | 123.3 | | |
| 770 | F | 29.6 | Very low | 32.8 | Very low | 202 Ų | 202 | 153.1 Ų | 153.1 | 89% | 0.886 | 78% | 0.78 | S | S | * | * | | | trans | 85.7 | 150.8 | 134 | -86 | -105.7 | 0 | 0 | 0 | 123.3 | | |
| 771 | P | 35.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 150.7 Ų | 150.7 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | trans | -130.2 | -168.8 | -158.5 | 44.9 | -28 | 0 | 0 | 0 | 115 | | |
| 772 | Q | 31.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 147.6 Ų | 147.6 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | | 146.9 | 151.2 | 127.3 | -163.7 | 64.6 | 2.6 | 0 | 0 | 113.6 | | |
| 773 | R | 32.3 | Very low | 33.3 | Very low | 213 Ų | 213 | 150 Ų | 150 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 79.3 | 124.1 | 177.4 | -45.9 | 177.7 | -156.4 | -102.9 | 0.4 | 112.8 | | |
| 774 | Q | 32.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | | 62.5 | 134.9 | 58.1 | -57.8 | 174.7 | -60.9 | 0 | 0 | 110.8 | | |
| 775 | I | 35.4 | Very low | 33.8 | Very low | 164 Ų | 164 | 148.3 Ų | 148.3 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | cis | -144.1 | 152.1 | 44.1 | -70.5 | 166.4 | 0 | 0 | 0 | 113.6 | | |
| 776 | S | 29.8 | Very low | 34.1 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -43.9 | 147.3 | 168.2 | 137.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 777 | A | 38.9 | Very low | 34.5 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | trans | -161.2 | 161.2 | 130.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 778 | Q | 36.1 | Very low | 34.4 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | -140.6 | -163.4 | -177.6 | -126.5 | -163.3 | 19 | 0 | 0 | 107.7 | | |
| 779 | P | 40.7 | Very low | 34.7 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | | | cis | -137.2 | -169 | -37 | 32.5 | -11.5 | 0 | 0 | 0 | 114.5 | | |
| 780 | T | 32.6 | Very low | 34.6 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | | | trans | 67.7 | 161 | 149.7 | 39.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 781 | F | 32 | Very low | 34.9 | Very low | 180 Ų | 180 | 140.4 Ų | 140.4 | 79% | 0.789 | 76% | 0.759 | S | S | * | * | | | cis | -150.8 | 179.8 | 1.3 | -110.9 | -42.3 | 0 | 0 | 0 | 107.9 | | |
| 782 | T | 37.9 | Very low | 34.5 | Very low | 110 Ų | 110 | 140 Ų | 140 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | cis | -151.7 | 157.3 | 1.8 | 3.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 783 | N | 31.1 | Very low | 34.9 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | | 45.5 | 125.3 | 89.3 | -138.9 | 5.6 | 0 | 0 | 0 | 115.4 | | |
| 784 | I | 38.4 | Very low | 34.7 | Very low | 167 Ų | 167 | 134.5 Ų | 134.5 | 86% | 0.856 | 76% | 0.761 | S | S | * | * | | | | -149.8 | 168.9 | 73.9 | -84.4 | 162.2 | 0 | 0 | 0 | 112.8 | | |
| 785 | Q | 34.4 | Very low | 34.6 | Very low | 169 Ų | 169 | 136.6 Ų | 136.6 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | | | trans | -121.6 | -143.9 | -157 | -148.8 | -159.3 | 7 | 0 | 0 | 114.3 | | |
| 786 | P | 40.7 | Very low | 34.3 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | | | trans | -125.8 | 179 | -135.9 | 43.8 | -24.7 | 0 | 0 | 0 | 118 | | |
| 787 | G | 37.1 | Very low | 34.3 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | trans | -175.2 | 125.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 788 | V | 31.6 | Very low | 33.9 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | cis | 91.7 | 99.8 | 38.3 | 178.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 789 | M | 36.2 | Very low | 33.6 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 88% | 0.882 | 73% | 0.734 | S | S | * | * | | | trans | 164.3 | 107 | 144.4 | -92.9 | -173.3 | -70.3 | 0 | 0 | 106.2 | | |
| 790 | H | 31.2 | Very low | 33.1 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | cis | 67.1 | 103.4 | 47.3 | -162.3 | -82.9 | 0 | 0 | 0 | 113.6 | | |
| 791 | L | 35.2 | Very low | 33 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -167.7 | 137.7 | 137.6 | -102.7 | 166.8 | 0 | 0 | 0 | 112.3 | | |
| 792 | S | 28.8 | Very low | 32.8 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | -52.2 | 161.5 | -174.9 | 45 | 0 | 0 | 0 | 0 | 119.6 | | |
| 793 | P | 40 | Very low | 32.4 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | | | trans | -86.1 | 156.9 | 171.7 | 37 | -36.1 | 0 | 0 | 0 | 113.4 | | |
| 794 | T | 28.8 | Very low | 32.3 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | | | trans | -173.7 | 159.1 | 148 | 9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 795 | R | 29.7 | Very low | 32 | Very low | 215 Ų | 215 | 141 Ų | 141 | 81% | 0.811 | 74% | 0.736 | S | S | * | * | | | trans | 68.1 | 101 | 143.9 | -76.9 | -177.5 | 88.5 | 150.3 | 4.7 | 122.8 | | |
| 796 | T | 28.2 | Very low | 31.7 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | | | | 57.3 | 144.8 | 113.6 | 61.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 797 | H | 31.1 | Very low | 31.6 | Very low | 170 Ų | 170 | 139.1 Ų | 139.1 | 79% | 0.787 | 74% | 0.739 | S | S | * | * | | | trans | 71 | 157.1 | 162.3 | -65.9 | -67.9 | 0 | 0 | 0 | 116.2 | | |
| 798 | K | 30.2 | Very low | 31.2 | Very low | 150 Ų | 150 | 142 Ų | 142 | 65% | 0.652 | 74% | 0.743 | S | S | * | * | | | cis | 172.6 | 135.4 | -31.1 | -152.5 | -159.1 | 174.1 | -154.5 | 0 | 103 | | |
| 799 | E | 29.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | trans | 66.2 | 159.2 | 167.2 | -47.3 | -177.6 | -173.6 | 0 | 0 | 114.2 | | |
| 800 | H | 30.7 | Very low | 30.8 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 68% | 0.676 | 74% | 0.735 | S | S | * | * | | | cis | -155.7 | -179.3 | -25 | -131.1 | -99.5 | 0 | 0 | 0 | 107.7 | | |
| 801 | F | 30.2 | Very low | 30.7 | Very low | 177 Ų | 177 | 140.2 Ų | 140.2 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | 68 | 143.4 | 168.3 | -60.2 | -75.3 | 0 | 0 | 0 | 117.2 | | |
| 802 | T | 29.2 | Very low | 30.5 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 63% | 0.632 | 73% | 0.729 | S | S | * | * | | | cis | 169.3 | 139.4 | -39.5 | 34.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 803 | S | 28.2 | Very low | 30.5 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | trans | 65.6 | 157.5 | 174.3 | 86.3 | 0 | 0 | 0 | 0 | 114 | | |
| 804 | R | 30.2 | Very low | 30.1 | Very low | 206 Ų | 206 | 140.3 Ų | 140.3 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | cis | -152.7 | 133.7 | 23.2 | -163.6 | 168.6 | -67.7 | -168.2 | -2.9 | 112.7 | | |
| 805 | N | 30.2 | Very low | 30.2 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | | | trans | 46 | 135.9 | 153.8 | -55.9 | 5.2 | 0 | 0 | 0 | 121.2 | | |
| 806 | P | 28.4 | Very low | 30.2 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | | | trans | -79 | 149.9 | 164.3 | 34.8 | -34.1 | 0 | 0 | 0 | 111.9 | | |
| 807 | P | 39.5 | Very low | 30.3 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | trans | -88 | 106.1 | 174.2 | 32.7 | -31.8 | 0 | 0 | 0 | 112.3 | | |
| 808 | T | 28.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | trans | -86.4 | 109.4 | 165.4 | 53.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 809 | S | 28.9 | Very low | 30 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | trans | -152.4 | 105.8 | 165.6 | -175.9 | 0 | 0 | 0 | 0 | 108 | | |
| 810 | K | 29.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 74% | 0.739 | S | S | * | * | | | | 73 | 143.7 | 72 | -74.3 | -173.6 | 177 | -177.7 | 0 | 113.5 | | |
| 811 | N | 29.2 | Very low | 29.8 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | | | trans | 73.9 | 138.3 | 169.7 | -59.5 | -5.9 | 0 | 0 | 0 | 115.8 | | |
| 812 | S | 31.9 | Very low | 30.2 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | | | cis | -161.7 | 161 | -12.4 | 45.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 813 | N | 28.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 78% | 0.781 | 75% | 0.754 | S | S | * | * | | | trans | -8.5 | 143.5 | 140.6 | -30.1 | -35.4 | 0 | 0 | 0 | 115.5 | | |
| 814 | V | 31.7 | Very low | 30.6 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | | -175.6 | 120.2 | 118.3 | 141.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 815 | L | 30.7 | Very low | 30.7 | Very low | 144 Ų | 144 | 126.9 Ų | 126.9 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | | | trans | 44.8 | 167.3 | 145.8 | -76.7 | 83 | 0 | 0 | 0 | 121.3 | | |
| 816 | L | 28.8 | Very low | 30.7 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | | | cis | 179.8 | 168.7 | -34.4 | -158.4 | 69.9 | 0 | 0 | 0 | 105.3 | | |
| 817 | M | 30.2 | Very low | 30.9 | Very low | 158 Ų | 158 | 129.1 Ų | 129.1 | 78% | 0.778 | 76% | 0.756 | S | S | * | * | | | trans | 65.6 | 159.8 | 161.4 | -65.8 | 165.7 | 167.3 | 0 | 0 | 115.9 | | |
| 818 | T | 28 | Very low | 30.5 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | cis | -155 | 144.6 | -23.5 | 22 | 0 | 0 | 0 | 0 | 109.4 | | |
| 819 | Q | 27.5 | Very low | 30.5 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | 32.6 | 138.5 | 133.8 | -52.6 | 171.1 | 8.8 | 0 | 0 | 121.1 | | |
| 820 | S | 27.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | | | trans | 61.4 | 142.5 | 148.8 | 63.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 821 | S | 29.3 | Very low | 30.4 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | cis | -162.5 | 168.4 | 29.1 | 38.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 822 | L | 38.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | | | trans | -75.7 | 154.9 | 167.4 | -67.1 | 161.8 | 0 | 0 | 0 | 110.7 | | |
| 823 | P | 34.4 | Very low | 30.2 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | | -126.4 | 151.4 | 89.5 | 7.9 | 13.5 | 0 | 0 | 0 | 112.3 | | |
| 824 | A | 31.4 | Very low | 30.1 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 76% | 0.756 | S | S | * | * | | | cis | 82 | 122.2 | 29.6 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 825 | G | 31.6 | Very low | 30.1 | Very low | 66 Ų | 66 | 141.6 Ų | 141.6 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | trans | 133 | 87.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 826 | F | 29.8 | Very low | 29.8 | Very low | 187 Ų | 187 | 140.7 Ų | 140.7 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | | | | 60.9 | 150.8 | 70.8 | -75.1 | -80.3 | 0 | 0 | 0 | 114.8 | | |
| 827 | P | 33.5 | Very low | 30 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | cis | -110 | 162.6 | -18.7 | 10.4 | 14.5 | 0 | 0 | 0 | 110.9 | | |
| 828 | E | 31.6 | Very low | 29.8 | Very low | 167 Ų | 167 | 149 Ų | 149 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | | 61.4 | 102.4 | 61.6 | -167.9 | 180 | -179 | 0 | 0 | 115.4 | | |
| 829 | Q | 27.9 | Very low | 29.7 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -171.4 | 165.4 | 154.1 | -110.1 | 169.7 | 39.2 | 0 | 0 | 111.2 | | |
| 830 | Q | 28.2 | Very low | 29.9 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | 87 | 77.9 | -177.9 | -57.5 | -67 | -61.9 | 0 | 0 | 117.7 | | |
| 831 | P | 28.2 | Very low | 30.1 | Very low | 107 Ų | 107 | 151.6 Ų | 151.6 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | trans | -88.4 | -174.8 | 154.9 | 37.5 | -32.4 | 0 | 0 | 0 | 112.4 | | |
| 832 | E | 26.5 | Very low | 30.1 | Very low | 152 Ų | 152 | 150.8 Ų | 150.8 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | trans | 73.7 | 145.2 | 173.7 | -47.8 | -176.5 | 160.3 | 0 | 0 | 115.2 | | |
| 833 | Y | 31 | Very low | 29.6 | Very low | 206 Ų | 206 | 151.2 Ų | 151.2 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | | | cis | -124.5 | 146.7 | 13.4 | -97.4 | -89.9 | 0 | 0 | 0 | 114.8 | | |
| 834 | F | 25.8 | Very low | 29.2 | Very low | 169 Ų | 169 | 152 Ų | 152 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | -78.7 | 142.8 | 163.1 | -98.1 | -125.3 | 0 | 0 | 0 | 111.4 | | |
| 835 | I | 30.7 | Very low | 28.9 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | | | | -136 | 136.6 | 129.7 | -63.9 | -170 | 0 | 0 | 0 | 108.6 | | |
| 836 | H | 26 | Very low | 28.7 | Very low | 125 Ų | 125 | 158 Ų | 158 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | | | trans | -67.7 | 148.8 | -172.4 | -57 | -88.3 | 0 | 0 | 0 | 115.1 | | |
| 837 | Y | 31.9 | Very low | 28.6 | Very low | 245 Ų | 245 | 153.8 Ų | 153.8 | 96% | 0.961 | 75% | 0.749 | S | S | * | * | | | | -130.6 | 151.6 | 113.5 | -103.6 | -84.5 | 0 | 0 | 0 | 110.1 | | |
| 838 | R | 27.1 | Very low | 29 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | | | trans | -88 | 151.6 | -162.1 | -93.4 | 176.4 | 167.2 | 160.7 | -4.8 | 114.5 | | |
| 839 | H | 26.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | | 7.3 | 147.3 | 126.8 | -64.5 | -107.4 | 0 | 0 | 0 | 117.1 | | |
| 840 | K | 30 | Very low | 29.2 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | | | cis | -148 | 139.1 | 44.7 | -74.4 | 161.6 | 137.1 | -85.1 | 0 | 113.7 | D842 | K840-D842 WeakPolarHBondContact CD-OD2 3.37Å; K840-D842 WeakPolarHBondContact CE-OD2 3.3Å; K840-D842 IonicContact NZ-OD1 2.9Å; K840-D842 PolarHBondContact NZ-OD1 2.92Å; K840-D842 IonicContact NZ-OD2 2.59Å; K840-D842 PolarHBondContact NZ-OD2 3.37Å |
| 841 | S | 31.5 | Very low | 29.3 | Very low | 112 Ų | 112 | 149.4 Ų | 149.4 | 78% | 0.783 | 73% | 0.732 | S | S | * | * | | | trans | -82.6 | 128.1 | 138.7 | 54.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 842 | D | 29.5 | Very low | 29.4 | Very low | 97 Ų | 97 | 150.1 Ų | 150.1 | 52% | 0.519 | 73% | 0.734 | S | S | . | * | | | trans | -136.5 | 126.4 | 165.8 | -74.2 | -47.6 | 0 | 0 | 0 | 110 | K840 | K840-D842 WeakPolarHBondContact CD-OD2 3.37Å; K840-D842 WeakPolarHBondContact CE-OD2 3.3Å; K840-D842 IonicContact NZ-OD1 2.9Å; K840-D842 PolarHBondContact NZ-OD1 2.92Å; K840-D842 IonicContact NZ-OD2 2.59Å; K840-D842 PolarHBondContact NZ-OD2 3.37Å |
| 843 | N | 28.7 | Very low | 29.6 | Very low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | -86.8 | 104 | 158.9 | -80 | -45.7 | 0 | 0 | 0 | 108.2 | | |
| 844 | L | 26 | Very low | 29.5 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 72% | 0.723 | 72% | 0.721 | S | S | * | * | | | trans | -142.2 | 106.8 | 166.5 | -91.7 | 151.9 | 0 | 0 | 0 | 105.7 | | |
| 845 | V | 26.4 | Very low | 29.8 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | | | | 60.2 | 70.2 | 54.9 | -165.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 846 | H | 27 | Very low | 29.6 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.806 | 72% | 0.717 | S | S | * | * | | | trans | -128.6 | 93.1 | 138 | -92.6 | -58.3 | 0 | 0 | 0 | 107.5 | | |
| 847 | T | 26.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | | | | 63.5 | 94.5 | 93.8 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 848 | N | 41.6 | Very low | 29.5 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 77% | 0.765 | 71% | 0.71 | S | S | * | * | | | trans | -36.1 | 141.1 | 145.6 | -174.1 | 11.9 | 0 | 0 | 0 | 110.6 | | |
| 849 | P | 33.6 | Very low | 29.5 | Very low | 92 Ų | 92 | 136 Ų | 136 | 60% | 0.597 | 71% | 0.711 | S | S | * | * | | | | -140.2 | 167.6 | 118 | 40.2 | -30.3 | 0 | 0 | 0 | 114.4 | | |
| 850 | N | 31.1 | Very low | 29.6 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 62% | 0.62 | 71% | 0.714 | S | S | * | * | | | trans | 79.3 | 98.2 | 167.8 | -47.9 | -32.3 | 0 | 0 | 0 | 114.1 | | |
| 851 | F | 29.4 | Very low | 29.4 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | | | | 81 | 144.5 | 75.1 | -70.4 | -47.1 | 0 | 0 | 0 | 111.3 | | |
| 852 | V | 31.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 74% | 0.739 | 72% | 0.716 | S | S | * | * | | | cis | -135.3 | 173.1 | 9.3 | 91.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 853 | T | 30.4 | Very low | 29.3 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 61% | 0.613 | 73% | 0.729 | S | S | * | * | | | trans | -61.2 | 175.7 | 172.4 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 854 | D | 29.8 | Very low | 29.4 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 63% | 0.631 | 73% | 0.727 | S | S | * | * | | | cis | -134.7 | 162.2 | 20.2 | -98.1 | -75.2 | 0 | 0 | 0 | 109.9 | | |
| 855 | T | 30.2 | Very low | 29.5 | Very low | 109 Ų | 109 | 132 Ų | 132 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | | 41.1 | 145.7 | 75.2 | 102.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 856 | R | 27.7 | Very low | 29.6 | Very low | 222 Ų | 222 | 134.6 Ų | 134.6 | 84% | 0.838 | 74% | 0.735 | S | S | * | * | | | cis | -163.6 | 161.6 | 19.5 | -161.5 | 173.1 | 171.1 | 158.8 | -6 | 108.2 | | |
| 857 | S | 27.2 | Very low | 29.7 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 72% | 0.721 | S | S | * | * | | | trans | 69.9 | 156.8 | 148.9 | -118.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 858 | T | 28.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | cis | -141.5 | 162.3 | -10.3 | -30.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 859 | R | 26.4 | Very low | 29.2 | Very low | 219 Ų | 219 | 137 Ų | 137 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | | | trans | -41.8 | 136.3 | 152.7 | -50 | 163.8 | 179.3 | 174.4 | -3.4 | 111.2 | | |
| 860 | M | 29.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | | | | -162 | 137.4 | 113 | -82.3 | -33.1 | -170.6 | 0 | 0 | 106.7 | | |
| 861 | S | 26.2 | Very low | 29 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | | 63.6 | 113.5 | 62.7 | -150.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 862 | G | 31.1 | Very low | 28.9 | Very low | 72 Ų | 72 | 137.3 Ų | 137.3 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | | | trans | 167.5 | 65.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 863 | D | 26.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 140.9 Ų | 140.9 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | | | trans | -57.7 | 139.7 | 177.4 | -52.8 | -92 | 0 | 0 | 0 | 112.3 | | |
| 864 | C | 31.7 | Very low | 28.4 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | | | trans | -144.6 | 64.1 | 158 | -156.2 | 0 | 0 | 0 | 0 | 111.3 | H866 | C864-H866 PolarHBondContact O-N 3.12Š|
| 865 | T | 27.8 | Very low | 28.2 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -72 | 110.3 | 155.1 | 44.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 866 | H | 28.4 | Very low | 28.3 | Very low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 74% | 0.74 | S | S | * | * | | | trans | -139.3 | 96.5 | 159.6 | -145.6 | -111.1 | 0 | 0 | 0 | 108.2 | C864 | C864-H866 PolarHBondContact O-N 3.12Š|
| 867 | V | 29.7 | Very low | 28.3 | Very low | 85 Ų | 85 | 144.1 Ų | 144.1 | 52% | 0.515 | 73% | 0.733 | S | S | . | * | | | | 77.9 | 100 | 101.3 | 162.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 868 | Q | 26.8 | Very low | 28.4 | Very low | 149 Ų | 149 | 145.6 Ų | 145.6 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | | | | 54.1 | 99.7 | 83.5 | -74.4 | -162.2 | -19.2 | 0 | 0 | 113.6 | | |
| 869 | Y | 31.6 | Very low | 28.5 | Very low | 233 Ų | 233 | 144.4 Ų | 144.4 | 91% | 0.914 | 73% | 0.73 | S | S | * | * | | | trans | -136.7 | 80.4 | 139.2 | -102.6 | -76.9 | 0 | 0 | 0 | 110.8 | | |
| 870 | Y | 26.9 | Very low | 29 | Very low | 188 Ų | 188 | 141.2 Ų | 141.2 | 74% | 0.737 | 72% | 0.724 | S | S | * | * | | | trans | -48 | 170.8 | 140 | -93.6 | -58.6 | 0 | 0 | 0 | 111.4 | | |
| 871 | P | 32.8 | Very low | 29.3 | Very low | 90 Ų | 90 | 139.8 Ų | 139.8 | 58% | 0.584 | 72% | 0.72 | S | S | * | * | | | cis | -144 | -158.9 | -13.6 | 33.1 | -9.2 | 0 | 0 | 0 | 113.9 | | |
| 872 | Q | 27 | Very low | 29.5 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 59% | 0.589 | 72% | 0.719 | S | S | * | * | | | trans | 80.8 | 129.8 | 135.8 | -87.8 | 175.3 | 35.2 | 0 | 0 | 122.1 | | |
| 873 | R | 25.2 | Very low | 29.6 | Very low | 196 Ų | 196 | 141.3 Ų | 141.3 | 74% | 0.74 | 72% | 0.718 | S | S | * | * | | | trans | 69.4 | 152.2 | 136 | -66.4 | 168.1 | -177.2 | 168.1 | -8 | 116.6 | | |
| 874 | N | 26.7 | Very low | 29.9 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | | | cis | -147.1 | 137.1 | -4.9 | -109.8 | -17.8 | 0 | 0 | 0 | 106.9 | | |
| 875 | R | 26.1 | Very low | 29.8 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 77% | 0.766 | 71% | 0.705 | S | S | * | * | | | | 61.5 | 84.5 | 84.9 | -168.8 | -153.6 | -121.6 | -137.3 | -1.8 | 115.3 | | |
| 876 | S | 30.3 | Very low | 30.1 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | | | trans | -177.8 | 163 | 149.6 | 44.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 877 | Y | 28.8 | Very low | 30.1 | Very low | 178 Ų | 178 | 141.1 Ų | 141.1 | 70% | 0.698 | 71% | 0.709 | S | S | * | * | | | cis | -175.8 | 128.7 | -48.3 | -122.7 | -55.6 | 0 | 0 | 0 | 106.4 | | |
| 878 | N | 29.1 | Very low | 30 | Very low | 128 Ų | 128 | 145 Ų | 145 | 68% | 0.684 | 73% | 0.726 | S | S | * | * | | | trans | 61.8 | 165.9 | 167.9 | -54.8 | -12.4 | 0 | 0 | 0 | 116 | | |
| 879 | S | 31.2 | Very low | 30.1 | Very low | 92 Ų | 92 | 142.7 Ų | 142.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | | | cis | -141.5 | 149.2 | 5.8 | -35.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 880 | E | 36.2 | Very low | 30 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | | 38.1 | 135.6 | 124 | -59.9 | 146.7 | -139.4 | 0 | 0 | 119.7 | | |
| 881 | N | 35.7 | Very low | 30.1 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | cis | -140.7 | 148.2 | 23.1 | -86 | -65.3 | 0 | 0 | 0 | 110.2 | | |
| 882 | S | 30.5 | Very low | 30 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | | 58.9 | 130.2 | 68.6 | -155.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 883 | C | 33.4 | Very low | 30.1 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | cis | -144 | 173.3 | 21.1 | 64.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 884 | M | 32.1 | Very low | 30.2 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | cis | -172.7 | 162.3 | -6.3 | -117.8 | 172.2 | 74.4 | 0 | 0 | 105.8 | | |
| 885 | T | 30.4 | Very low | 30.4 | Very low | 97 Ų | 97 | 136.4 Ų | 136.4 | 60% | 0.595 | 75% | 0.747 | S | S | * | * | | | trans | 9.7 | 144.2 | 149.7 | 20.8 | 0 | 0 | 0 | 0 | 120.9 | | |
| 886 | D | 33.5 | Very low | 30.5 | Very low | 155 Ų | 155 | 134.4 Ų | 134.4 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | | | cis | -130.9 | 153.1 | 40 | -82.4 | -51.7 | 0 | 0 | 0 | 117.7 | | |
| 887 | L | 28.4 | Very low | 30.8 | Very low | 151 Ų | 151 | 134 Ų | 134 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | -92.1 | 176.5 | 161.8 | -80.3 | 157.7 | 0 | 0 | 0 | 109.8 | | |
| 888 | I | 27.5 | Very low | 30.9 | Very low | 168 Ų | 168 | 134 Ų | 134 | 86% | 0.862 | 75% | 0.748 | S | S | * | * | | | trans | 77.7 | 91.7 | 171.4 | -44.3 | 168.7 | 0 | 0 | 0 | 114.4 | | |
| 889 | A | 29.1 | Very low | 31 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -134.9 | 137.7 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 890 | P | 30.3 | Very low | 31.2 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 68% | 0.675 | 74% | 0.744 | S | S | * | * | | | trans | -112.7 | 162.4 | -151.2 | 40.3 | -33.4 | 0 | 0 | 0 | 115.5 | Y892 | P890-Y892 HydrophobicContact CB-CD2 4.42Š|
| 891 | S | 27.6 | Very low | 31.1 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | -70.4 | 120.3 | 153.3 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 892 | Y | 30.5 | Very low | 30.9 | Very low | 216 Ų | 216 | 136.8 Ų | 136.8 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | | | trans | -147.3 | 140 | 158.4 | -102.2 | -73.1 | 0 | 0 | 0 | 112 | P890 | P890-Y892 HydrophobicContact CB-CD2 4.42Š|
| 893 | N | 29.4 | Very low | 31.5 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | | | trans | -90.4 | 153.3 | 175.2 | -68.3 | -41.7 | 0 | 0 | 0 | 111.1 | | |
| 894 | N | 27.3 | Very low | 31.5 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | | | trans | 70 | 159.5 | 155.4 | -59.9 | -20.8 | 0 | 0 | 0 | 119.7 | | |
| 895 | S | 31.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | 87.9 | 81.9 | 148.1 | -160.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 896 | M | 28.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | | | | 72.3 | 151 | 122 | -101.1 | 177.4 | -73.4 | 0 | 0 | 123 | | |
| 897 | T | 34.6 | Very low | 31.4 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 63% | 0.632 | 76% | 0.755 | S | S | * | * | | | trans | 69 | 115.6 | 152.7 | 48.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 898 | Q | 31.7 | Very low | 31.6 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | | 62.7 | 148.3 | 122.4 | -64.7 | -178 | 26.2 | 0 | 0 | 120.2 | | |
| 899 | S | 32.2 | Very low | 31.8 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | | | cis | -176.3 | -179.4 | -11.4 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 900 | V | 34 | Very low | 32.4 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | | | trans | 64.7 | 145.7 | 166.9 | -117.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 901 | F | 34.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 138.8 Ų | 138.8 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | cis | -139.5 | 154.6 | 28.8 | -91.8 | -89.1 | 0 | 0 | 0 | 116.5 | | |
| 902 | F | 33.1 | Very low | 32.7 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -87.8 | 167 | 162 | -66.7 | -100.6 | 0 | 0 | 0 | 110.7 | | |
| 903 | P | 41.2 | Very low | 32.7 | Very low | 115 Ų | 115 | 137.1 Ų | 137.1 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | | | | -128.1 | 143.7 | 91.1 | 2.8 | 20.2 | 0 | 0 | 0 | 113.5 | | |
| 904 | L | 33.8 | Very low | 32.7 | Very low | 154 Ų | 154 | 138.9 Ų | 138.9 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | | 68.4 | 148.4 | 79.7 | -60.9 | 174.7 | 0 | 0 | 0 | 115.2 | | |
| 905 | D | 29.3 | Very low | 32.8 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | cis | -172.6 | 172.4 | -30.6 | -160 | -5.1 | 0 | 0 | 0 | 108.2 | | |
| 906 | S | 33.4 | Very low | 32.7 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 69 | 150.9 | 170.8 | 78.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 907 | G | 30.8 | Very low | 32.9 | Very low | 59 Ų | 59 | 137.3 Ų | 137.3 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | cis | 159.6 | 167.7 | -8.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 908 | W | 33.3 | Very low | 32.8 | Very low | 263 Ų | 263 | 136.1 Ų | 136.1 | 100% | 0.996 | 76% | 0.764 | S | S | * | * | | | trans | 75.5 | 143.1 | 173.8 | -51.9 | 99.7 | 0 | 0 | 0 | 117.5 | | |
| 909 | G | 33 | Very low | 33 | Very low | 72 Ų | 72 | 134.3 Ų | 134.3 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -135.7 | -126.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 910 | P | 40.3 | Very low | 33.1 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | | -117.7 | 172.2 | -129.9 | 41.5 | -33.1 | 0 | 0 | 0 | 115.9 | | |
| 911 | T | 34.9 | Very low | 33.2 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -152.4 | 150.1 | 154.7 | 12.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 912 | D | 28.9 | Very low | 33.3 | Very low | 144 Ų | 144 | 133.4 Ų | 133.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -70 | 167.8 | 176.2 | -50.9 | -110.1 | 0 | 0 | 0 | 114.3 | | |
| 913 | V | 31.8 | Very low | 33.4 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | | | | -158 | 152.1 | 120 | 133.5 | 0 | 0 | 0 | 0 | 111 | | |
| 914 | K | 29 | Very low | 33.2 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | -94.3 | 177.7 | -172.5 | -74.3 | 171.9 | 171.8 | 168 | 0 | 113.2 | | |
| 915 | S | 29.7 | Very low | 33.2 | Very low | 101 Ų | 101 | 135.6 Ų | 135.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | 81.6 | 150.4 | 145.6 | 80.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 916 | N | 29.4 | Very low | 33.6 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | cis | -160.5 | -167.2 | -13.7 | -115.1 | 4.8 | 0 | 0 | 0 | 109.4 | | |
| 917 | D | 32.6 | Very low | 33.7 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | 89.7 | 144.7 | 151.1 | -67.9 | -37.1 | 0 | 0 | 0 | 121.1 | | |
| 918 | S | 32.7 | Very low | 33.8 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 55% | 0.552 | 76% | 0.758 | S | S | * | * | | | cis | -169.6 | 130.3 | -30.5 | -115.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 919 | T | 35.3 | Very low | 33.7 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | | | trans | 63.9 | 175.5 | 154.5 | 75.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 920 | S | 34.4 | Very low | 33.8 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -149.2 | 158.2 | 6.5 | 76.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 921 | A | 35.4 | Very low | 33.5 | Very low | 76 Ų | 76 | 141 Ų | 141 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | | | trans | 50.2 | 143 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 922 | K | 36.8 | Very low | 33.5 | Very low | 192 Ų | 192 | 145.3 Ų | 145.3 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | | | cis | -136.8 | 135.5 | 27 | -69.8 | 162.6 | -172 | 167.2 | 0 | 108 | | |
| 923 | H | 35.1 | Very low | 33.7 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 78% | 0.778 | 74% | 0.736 | S | S | * | * | | | | 51.7 | 141.4 | 84.4 | -65.8 | -44.6 | 0 | 0 | 0 | 113.5 | | |
| 924 | K | 36.7 | Very low | 33.9 | Very low | 171 Ų | 171 | 143 Ų | 143 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | cis | -168.3 | 119.1 | 40.3 | -161.2 | 172 | -177.8 | 179.9 | 0 | 114.3 | | |
| 925 | K | 34.9 | Very low | 34.3 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | 58.8 | 162.3 | 143.3 | -54.4 | -175.8 | -176.4 | -171.2 | 0 | 117.3 | | |
| 926 | H | 38.2 | Very low | 34.8 | Very low | 139 Ų | 139 | 142 Ų | 142 | 64% | 0.644 | 73% | 0.728 | S | S | * | * | | | cis | -158.3 | 148.4 | 36.1 | -122.9 | -73.7 | 0 | 0 | 0 | 114.1 | | |
| 927 | R | 35.6 | Very low | 35.1 | Very low | 212 Ų | 212 | 146.5 Ų | 146.5 | 80% | 0.8 | 73% | 0.734 | S | S | * | * | | | trans | 49.5 | 122 | 157.2 | -77.2 | 165 | 179.1 | 175.4 | -2.8 | 118.9 | | |
| 928 | S | 31.9 | Very low | 35.3 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 62% | 0.622 | 74% | 0.735 | S | S | * | * | | | cis | 78.3 | 126.6 | 28.3 | 90.5 | 0 | 0 | 0 | 0 | 117 | | |
| 929 | N | 30.7 | Very low | 35.5 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | | | trans | 74.8 | 119.6 | 161.2 | -51.4 | -5.1 | 0 | 0 | 0 | 117.5 | | |
| 930 | M | 36.3 | Very low | 35.3 | Very low | 167 Ų | 167 | 147 Ų | 147 | 82% | 0.823 | 74% | 0.741 | S | S | * | * | | | | -178.8 | 116.3 | 109.9 | -90.7 | -175.7 | 77.6 | 0 | 0 | 108.1 | | |
| 931 | I | 34 | Very low | 35.5 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 68% | 0.677 | 74% | 0.742 | S | S | * | * | | | | 92.6 | 128.5 | 73.3 | -80.6 | 179.3 | 0 | 0 | 0 | 112.9 | | |
| 932 | R | 34.2 | Very low | 35.4 | Very low | 234 Ų | 234 | 152.5 Ų | 152.5 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | 69 | 157.5 | 165 | -80.5 | 174 | 173.5 | -146.7 | -3.5 | 119.2 | | |
| 933 | S | 33.3 | Very low | 35.1 | Very low | 83 Ų | 83 | 147.6 Ų | 147.6 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | | | cis | -178.9 | 157.8 | -32.5 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 934 | H | 36 | Very low | 34.9 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | | | trans | 55.4 | 120.2 | 151.4 | -82.5 | -71.9 | 0 | 0 | 0 | 121.2 | | |
| 935 | S | 37.4 | Very low | 34.7 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | | | | 178.7 | 103.1 | 106.6 | -167.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 936 | Q | 39.8 | Very low | 34.5 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | | 62 | 101.9 | 85.7 | -77.8 | -170.6 | -10.3 | 0 | 0 | 117.1 | | |
| 937 | R | 36.7 | Very low | 34.2 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | | | | -174.4 | 109.5 | 129.8 | -95.3 | 160.3 | -166.2 | -107.4 | 1.5 | 107 | | |
| 938 | T | 35.4 | Very low | 34.1 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | | | | 59.8 | 126.1 | 80.3 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 939 | A | 36.4 | Very low | 34.2 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | cis | -161.9 | 147.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 940 | D | 32.1 | Very low | 34.3 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | | | trans | 60.3 | 159.6 | 141.4 | -64.6 | -42.6 | 0 | 0 | 0 | 123.8 | | |
| 941 | P | 38.9 | Very low | 34.1 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | trans | -120.9 | -141.5 | -162.6 | 43.5 | -26.9 | 0 | 0 | 0 | 112.5 | | |
| 942 | Q | 32.7 | Very low | 33.9 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | | | trans | 86.5 | 142.3 | -176.2 | -59.7 | -174.8 | -11.4 | 0 | 0 | 114.2 | | |
| 943 | S | 31.6 | Very low | 33.8 | Very low | 90 Ų | 90 | 132.2 Ų | 132.2 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | | | cis | -167 | 169.2 | -10.4 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 944 | N | 30.5 | Very low | 33.7 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | | | trans | 35 | 142.8 | 131.9 | -57.3 | -3.2 | 0 | 0 | 0 | 120.2 | | |
| 945 | L | 31.5 | Very low | 33.5 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | | | cis | -160.6 | -178.5 | 19.9 | -151.6 | 70.2 | 0 | 0 | 0 | 111.7 | | |
| 946 | L | 31.7 | Very low | 33.2 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | | | trans | -31.4 | 164.7 | 151.2 | -74.4 | 47.2 | 0 | 0 | 0 | 115.1 | | |
| 947 | E | 31.1 | Very low | 33 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | | | cis | -162.8 | 169.2 | 16.7 | -135.2 | 156 | 159.6 | 0 | 0 | 113.3 | | |
| 948 | G | 34.2 | Very low | 32.8 | Very low | 60 Ų | 60 | 126.3 Ų | 126.3 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | | | trans | 122.7 | 110.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 949 | N | 33.4 | Very low | 32.5 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | | 75.3 | 126.3 | 61.3 | -71 | -19.5 | 0 | 0 | 0 | 113.3 | | |
| 950 | Q | 34.1 | Very low | 32.2 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | | | cis | -156.5 | 157 | 4.1 | -83 | -131.5 | 79.5 | 0 | 0 | 112.1 | | |
| 951 | L | 31.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | trans | 61.3 | 153.3 | 156.4 | -90 | 75.9 | 0 | 0 | 0 | 118.4 | | |
| 952 | S | 29.8 | Very low | 32 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | | | cis | -162.3 | 150.7 | -3.2 | 40.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 953 | T | 32.9 | Very low | 32.1 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | trans | 72.9 | 147 | 151 | 47.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 954 | S | 31.3 | Very low | 32.3 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | 67.6 | 103 | 167.2 | 64 | 0 | 0 | 0 | 0 | 121 | | |
| 955 | S | 31.3 | Very low | 32.4 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | | | | 29.4 | 131.6 | 119.4 | 54 | 0 | 0 | 0 | 0 | 119.5 | | |
| 956 | D | 31.8 | Very low | 32.5 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | cis | -151.8 | 170.1 | 12.5 | -90 | -32 | 0 | 0 | 0 | 114.3 | | |
| 957 | H | 35 | Very low | 32.3 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | | | trans | -9.8 | 115.2 | 168.3 | -57.9 | -69.5 | 0 | 0 | 0 | 117.6 | | |
| 958 | T | 31.4 | Very low | 32.6 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | | 61.5 | 130.1 | 62.6 | 75 | 0 | 0 | 0 | 0 | 116.8 | | |
| 959 | R | 30 | Very low | 32.5 | Very low | 231 Ų | 231 | 146.1 Ų | 146.1 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | | | trans | 73.6 | 122.1 | 172.8 | -82.7 | -178.3 | -170.4 | 177.1 | 5 | 116.1 | | |
| 960 | C | 29.6 | Very low | 32.4 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | | | cis | 67.2 | 138.1 | 25.3 | -37 | 0 | 0 | 0 | 0 | 114.6 | | |
| 961 | L | 34.3 | Very low | 32.6 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | | | cis | 175.1 | 110.6 | -11.6 | -107.9 | 164.7 | 0 | 0 | 0 | 105.2 | | |
| 962 | I | 33 | Very low | 32.7 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | trans | 66.2 | 160.9 | 143.9 | -63.2 | 179.1 | 0 | 0 | 0 | 117.7 | | |
| 963 | P | 34.6 | Very low | 33 | Very low | 88 Ų | 88 | 147.1 Ų | 147.1 | 57% | 0.571 | 75% | 0.748 | S | S | * | * | | | cis | -126.9 | 160.5 | -16.2 | 31.2 | -12 | 0 | 0 | 0 | 117.6 | | |
| 964 | S | 35.2 | Very low | 33 | Very low | 108 Ų | 108 | 147.3 Ų | 147.3 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 37.8 | 123 | 134 | -161.9 | 0 | 0 | 0 | 0 | 123.4 | | |
| 965 | K | 33 | Very low | 33.3 | Very low | 181 Ų | 181 | 148.7 Ų | 148.7 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | | | | 170.1 | 59.8 | 116.3 | -92.6 | -175.6 | -178.4 | 179.7 | 0 | 115.1 | | |
| 966 | Y | 33.2 | Very low | 33.5 | Very low | 230 Ų | 230 | 149.5 Ų | 149.5 | 90% | 0.902 | 76% | 0.756 | S | S | * | * | | | trans | -155.5 | 140.4 | 156.9 | -102.7 | -76.7 | 0 | 0 | 0 | 110.5 | H968 | Y966-H968 PolarHBondContact O-N 3.43Å; Y966-H968 VanDerWaalsContact O-N 3.14Å |
| 967 | Y | 28.6 | Very low | 33.8 | Very low | 239 Ų | 239 | 148.2 Ų | 148.2 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | | | trans | -87.4 | 66.6 | -178.3 | -105.6 | -86.6 | 0 | 0 | 0 | 112 | | |
| 968 | H | 36.2 | Very low | 34.1 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | | | trans | -98.6 | 118.5 | 166.6 | -111 | -91.7 | 0 | 0 | 0 | 110.3 | Y966 N970 | Y966-H968 PolarHBondContact O-N 3.43Å; Y966-H968 VanDerWaalsContact O-N 3.14Å; H968-N970 PolarHBondContact ND1-OD1 3.39Å; H968-N970 PolarHBondContact O-N 3.48Å |
| 969 | R | 32.1 | Very low | 34.4 | Very low | 175 Ų | 175 | 145.9 Ų | 145.9 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | | | trans | -98.8 | 50.1 | -171.9 | -152.9 | 175.7 | -168.3 | 174.2 | 1.4 | 112.7 | L971 | R969-L971 PolarHBondContact O-N 2.89Å; R969-L971 VanDerWaalsContact O-N 3.12Å |
| 970 | N | 32.4 | Very low | 34.9 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 67% | 0.674 | 75% | 0.754 | S | S | * | * | | | trans | -64.1 | 110.7 | 177.9 | -65.1 | 3.6 | 0 | 0 | 0 | 109.4 | H968 S972 | H968-N970 PolarHBondContact ND1-OD1 3.39Å; H968-N970 PolarHBondContact O-N 3.48Å; N970-S972 VanDerWaalsContact C-N 3.34Å; N970-S972 PolarHBondContact O-N 3.31Å |
| 971 | L | 38.1 | Very low | 35.6 | Very low | 142 Ų | 142 | 141 Ų | 141 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | | | trans | -101.4 | 48.3 | -170.1 | -129.7 | 161.9 | 0 | 0 | 0 | 110.7 | R969 | R969-L971 PolarHBondContact O-N 2.89Å; R969-L971 VanDerWaalsContact O-N 3.12Å |
| 972 | S | 32.3 | Very low | 36.2 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | trans | -150.4 | 50.2 | -161.1 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | N970 | N970-S972 VanDerWaalsContact C-N 3.34Å; N970-S972 PolarHBondContact O-N 3.31Å |
| 973 | Q | 37.1 | Very low | 36.8 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | trans | -162.5 | 166.4 | 159.5 | -108.7 | 153.8 | 37.8 | 0 | 0 | 111.7 | | |
| 974 | T | 33.3 | Very low | 37.6 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | | | trans | 67.7 | 63 | -173.7 | 78.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 975 | V | 36.3 | Very low | 38.2 | Very low | 131 Ų | 131 | 145.6 Ų | 145.6 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -115.6 | 120.5 | 148 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | A977 | V975-A977 PolarHBondContact O-N 2.95Š|
| 976 | P | 37.1 | Very low | 38.7 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | trans | -64.6 | 127.5 | 174 | -21.4 | 33.7 | 0 | 0 | 0 | 110.8 | N978 | P976-N978 PolarHBondContact O-N 3.24Š|
| 977 | A | 37 | Very low | 39.3 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 93% | 0.926 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -81.6 | 46.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V975 | V975-A977 PolarHBondContact O-N 2.95Š|
| 978 | N | 41 | Very low | 39.9 | Very low | 108 Ų | 108 | 128 Ų | 128 | 58% | 0.578 | 72% | 0.718 | S | S | * | * | | | trans | -150.9 | 120.5 | 179.5 | -162.3 | -17.3 | 0 | 0 | 0 | 110.7 | P976 D980 | P976-N978 PolarHBondContact O-N 3.24Å; N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact O-N 3.42Å |
| 979 | P | 38.5 | Very low | 40.6 | Very low | 119 Ų | 119 | 124.1 Ų | 124.1 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | | | trans | -71.5 | -14.8 | -176.2 | 28.6 | -35.8 | 0 | 0 | 0 | 114.6 | S981 | P979-S981 PolarHBondContact O-N 3.09Š|
| 980 | D | 40 | Very low | 41.3 | Very low | 142 Ų | 142 | 118.2 Ų | 118.2 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | | | trans | -89 | 60.4 | -164.5 | -63.9 | -21.3 | 0 | 0 | 0 | 114.2 | N978 | N978-D980 VanDerWaalsContact C-N 3.26Å; N978-D980 PolarHBondContact O-N 3.42Å |
| 981 | S | 44.2 | Very low | 41.8 | Very low | 88 Ų | 88 | 117.8 Ų | 117.8 | 62% | 0.615 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -153.1 | 141.6 | 163.1 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | P979 S983 | P979-S981 PolarHBondContact O-N 3.09Å; S981-S983 PolarHBondContact O-N 2.91Å |
| 982 | N | 47 | Very low | 42.1 | Very low | 171 Ų | 171 | 120.8 Ų | 120.8 | 91% | 0.914 | 68% | 0.681 | S | S | * | * | | | trans | -75.4 | 40.5 | -172 | -73.7 | -40.1 | 0 | 0 | 0 | 115.3 | I984 | N982-I984 PolarHBondContact O-N 3.44Š|
| 983 | S | 46.3 | Very low | 42.6 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | | | trans | -81.9 | 94.3 | 179.6 | -70.8 | 0 | 0 | 0 | 0 | 112.2 | S981 W985 | S981-S983 PolarHBondContact O-N 2.91Å; S983-W985 PolarHBondContact O-N 2.85Å |
| 984 | I | 50 | Low | 43 | Very low | 164 Ų | 164 | 123.7 Ų | 123.7 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | | | trans | -70.8 | 112.3 | 180 | -61.9 | 169.2 | 0 | 0 | 0 | 110.8 | N982 | N982-I984 PolarHBondContact O-N 3.44Š|
| 985 | W | 48.1 | Very low | 43.5 | Very low | 157 Ų | 157 | 126 Ų | 126 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | | | trans | -71.2 | 138.7 | 177.6 | -75.2 | 83.4 | 0 | 0 | 0 | 112.8 | S983 L989 V990 | S983-W985 PolarHBondContact O-N 2.85Å; W985-L989 HydrophobicContact CE3-CB 4.13Å; W985-L989 HydrophobicContact CE3-CD1 3.98Å; W985-L989 HydrophobicContact CZ3-CD1 4.07Å; W985-V990 HydrophobicContact CB-CG2 3.75Å |
| 986 | P | 44.9 | Very low | 43.6 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 47% | 0.474 | 66% | 0.659 | S | S | . | * | | | trans | -59.3 | 138.3 | 173.7 | -25.2 | 34.7 | 0 | 0 | 0 | 112.5 | V988 L989 V990 | P986-V988 PolarHBondContact O-N 3.31Å; P986-L989 HydrophobicContact CG-CD1 4.47Å; P986-L989 PolarHBondContact O-N 3.04Å; P986-V990 PolarHBondContact O-N 2.98Å |
| 987 | P | 44.4 | Very low | 43.5 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 68% | 0.682 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54.8 | -32.2 | -174 | -29.8 | 35.5 | 0 | 0 | 0 | 115.4 | L989 V990 Q991 | P987-L989 VanDerWaalsContact C-N 3.35Å; P987-L989 PolarHBondContact O-N 2.91Å; P987-V990 PolarHBondContact O-N 2.92Å; P987-Q991 WeakPolarHBondContact O-CB 3.47Å; P987-Q991 PolarHBondContact O-N 2.88Å |
| 988 | V | 41.1 | Very low | 43.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -62.9 | -38.9 | 178.7 | 176.8 | 0 | 0 | 0 | 0 | 112 | P986 W992 | P986-V988 PolarHBondContact O-N 3.31Å; V988-W992 PolarHBondContact O-N 2.96Å |
| 989 | L | 50.7 | Low | 43.2 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 39% | 0.387 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -71.3 | -45 | 176.5 | -85.3 | 155.9 | 0 | 0 | 0 | 110.8 | W985 P986 P987 Q991 W992 H993 | W985-L989 HydrophobicContact CE3-CB 4.13Å; W985-L989 HydrophobicContact CE3-CD1 3.98Å; W985-L989 HydrophobicContact CZ3-CD1 4.07Å; P986-L989 HydrophobicContact CG-CD1 4.47Å; P986-L989 PolarHBondContact O-N 3.04Å; P987-L989 VanDerWaalsContact C-N 3.35Å; P987-L989 PolarHBondContact O-N 2.91Å; L989-Q991 PolarHBondContact O-N 2.78Å; L989-W992 PolarHBondContact O-N 2.83Å; L989-H993 PolarHBondContact O-CD2 2.81Å; L989-H993 PolarHBondContact O-N 2.74Å |
| 990 | V | 47.1 | Very low | 43 | Very low | 52 Ų | 52 | 128.4 Ų | 128.4 | 32% | 0.315 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -57.4 | -37.7 | 175.9 | -176.4 | 0 | 0 | 0 | 0 | 111.4 | W985 P986 P987 R994 | W985-V990 HydrophobicContact CB-CG2 3.75Å; P986-V990 PolarHBondContact O-N 2.98Å; P987-V990 PolarHBondContact O-N 2.92Å; V990-R994 HydrophobicContact CG1-CG 4.48Å; V990-R994 WeakPolarHBondContact O-CB 3.3Å; V990-R994 WeakPolarHBondContact O-CG 3.36Å; V990-R994 PolarHBondContact O-N 3.45Å |
| 991 | Q | 44.1 | Very low | 42.5 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -72.4 | -27 | 177.2 | -169 | 172.8 | 7.7 | 0 | 0 | 113.9 | P987 L989 | P987-Q991 WeakPolarHBondContact O-CB 3.47Å; P987-Q991 PolarHBondContact O-N 2.88Å; L989-Q991 PolarHBondContact O-N 2.78Å |
| 992 | W | 43.1 | Very low | 42.1 | Very low | 205 Ų | 205 | 128 Ų | 128 | 78% | 0.777 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74 | -47.8 | 170.4 | -95.4 | 78.5 | 0 | 0 | 0 | 111.7 | V988 L989 R994 R995 | V988-W992 PolarHBondContact O-N 2.96Å; L989-W992 PolarHBondContact O-N 2.83Å; W992-R994 PolarHBondContact O-N 3.43Å; W992-R995 PolarHBondContact O-N 3.49Å |
| 993 | H | 43.7 | Very low | 41.3 | Very low | 130 Ų | 130 | 125 Ų | 125 | 60% | 0.602 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -64.9 | -36.3 | -178.9 | -73.4 | -74.4 | 0 | 0 | 0 | 112.7 | L989 R995 | L989-H993 PolarHBondContact O-CD2 2.81Å; L989-H993 PolarHBondContact O-N 2.74Å; H993-R995 PolarHBondContact O-N 3.41Å |
| 994 | R | 44.9 | Very low | 40.6 | Very low | 212 Ų | 212 | 128.7 Ų | 128.7 | 80% | 0.8 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 6.8 | 175.2 | -73.1 | -175.4 | 177 | -156.3 | -0.8 | 115.4 | V990 W992 | V990-R994 HydrophobicContact CG1-CG 4.48Å; V990-R994 WeakPolarHBondContact O-CB 3.3Å; V990-R994 WeakPolarHBondContact O-CG 3.36Å; V990-R994 PolarHBondContact O-N 3.45Å; W992-R994 PolarHBondContact O-N 3.43Å |
| 995 | R | 43.6 | Very low | 39.7 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 0.7 | 179.3 | -83.7 | -177.7 | 163.3 | 169.5 | -5 | 115.4 | W992 H993 | W992-R995 PolarHBondContact O-N 3.49Å; H993-R995 PolarHBondContact O-N 3.41Å |
| 996 | R | 39.7 | Very low | 39 | Very low | 161 Ų | 161 | 129.8 Ų | 129.8 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -87 | 126.8 | 162 | -71.4 | -166.1 | -179.9 | -144.7 | 5.1 | 109.6 | N998 | R996-N998 PolarHBondContact O-N 2.95Š|
| 997 | P | 35.4 | Very low | 38.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | | | trans | -67.4 | 109.2 | 163.5 | -13.6 | 29.2 | 0 | 0 | 0 | 108.3 | V999 | P997-V999 VanDerWaalsContact C-N 3.27Å; P997-V999 HydrophobicContact CB-CG2 4.2Å; P997-V999 PolarHBondContact O-N 2.88Å |
| 998 | N | 36.4 | Very low | 37.9 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | trans | -84.7 | 70.3 | -175.5 | -155.2 | 61.1 | 0 | 0 | 0 | 110.5 | R996 A1000 | R996-N998 PolarHBondContact O-N 2.95Å; N998-A1000 PolarHBondContact O-N 3.4Å |
| 999 | V | 33.5 | Very low | 37.3 | Very low | 134 Ų | 134 | 136 Ų | 136 | 81% | 0.812 | 71% | 0.707 | S | S | * | * | | | trans | -82 | 61.6 | -179.3 | -167.6 | 0 | 0 | 0 | 0 | 110.2 | P997 | P997-V999 VanDerWaalsContact C-N 3.27Å; P997-V999 HydrophobicContact CB-CG2 4.2Å; P997-V999 PolarHBondContact O-N 2.88Å |
| 1000 | A | 34.7 | Very low | 36.6 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 63% | 0.628 | 73% | 0.725 | S | S | * | * | | | trans | -78 | 120.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | N998 S1002 | N998-A1000 PolarHBondContact O-N 3.4Å; A1000-S1002 PolarHBondContact O-N 3.07Å |
| 1001 | A | 30.3 | Very low | 35.8 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 88% | 0.884 | 75% | 0.748 | S | S | * | * | | | trans | -77.1 | 117.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1002 | S | 34.7 | Very low | 35.3 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | | | trans | -130.4 | 97.1 | 163.8 | 60.7 | 0 | 0 | 0 | 0 | 108.7 | A1000 | A1000-S1002 PolarHBondContact O-N 3.07Š|
| 1003 | S | 30.2 | Very low | 34.7 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -72.1 | 121.1 | 166.2 | 49.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1004 | E | 32.2 | Very low | 34.1 | Very low | 169 Ų | 169 | 145.3 Ų | 145.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | trans | 175.7 | 149.1 | 139.4 | -100 | 163.8 | -137.6 | 0 | 0 | 111.9 | | |
| 1005 | N | 31.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | trans | 57.6 | 84.6 | 159.1 | -56.4 | -38.7 | 0 | 0 | 0 | 119.8 | | |
| 1006 | F | 32.3 | Very low | 33.3 | Very low | 210 Ų | 210 | 141.5 Ų | 141.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -148.1 | 134.2 | 133.9 | -93.5 | -71.3 | 0 | 0 | 0 | 110.1 | | |
| 1007 | P | 33.8 | Very low | 32.8 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -93.3 | 145.1 | -172.1 | 35.5 | -35.1 | 0 | 0 | 0 | 115.2 | | |
| 1008 | D | 32.8 | Very low | 32.6 | Very low | 144 Ų | 144 | 146.1 Ų | 146.1 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | 19.9 | 129 | 149.1 | -74.7 | -23.2 | 0 | 0 | 0 | 123.6 | | |
| 1009 | I | 29.1 | Very low | 32.5 | Very low | 146 Ų | 146 | 147 Ų | 147 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | 72.2 | 114 | 136.9 | -59.1 | 166.3 | 0 | 0 | 0 | 118.5 | | |
| 1010 | I | 35.3 | Very low | 32.4 | Very low | 148 Ų | 148 | 147.4 Ų | 147.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | | -163 | 132.2 | 107.2 | -92.7 | 171.8 | 0 | 0 | 0 | 108.3 | Y1012 | I1010-Y1012 HydrophobicContact CG2-CD2 4.43Š|
| 1011 | D | 29.8 | Very low | 32.5 | Very low | 149 Ų | 149 | 151.4 Ų | 151.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -73.5 | 144.5 | 171.1 | -79.9 | -68.3 | 0 | 0 | 0 | 112.3 | | |
| 1012 | Y | 34.3 | Very low | 33.3 | Very low | 229 Ų | 229 | 152.6 Ų | 152.6 | 90% | 0.898 | 79% | 0.786 | S | S | * | * | | | trans | -138.7 | 114.3 | 153.2 | -117.9 | -84.8 | 0 | 0 | 0 | 112 | I1010 | I1010-Y1012 HydrophobicContact CG2-CD2 4.43Š|
| 1013 | Q | 31.2 | Very low | 33.6 | Very low | 177 Ų | 177 | 156.6 Ų | 156.6 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | | | trans | -102.4 | 114.1 | -169 | -170.9 | 174.1 | 87.9 | 0 | 0 | 110.7 | | |
| 1014 | G | 30 | Very low | 34.4 | Very low | 71 Ų | 71 | 155.6 Ų | 155.6 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -146 | 19.5 | -158.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1015 | S | 37.7 | Very low | 35.4 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | | | trans | -161 | 91.4 | 167 | -85.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1016 | K | 34 | Very low | 36.2 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | trans | -98.5 | 151.3 | 144.8 | -63.8 | 176.8 | 180 | 175 | 0 | 105.3 | | |
| 1017 | R | 30.6 | Very low | 36.6 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 74% | 0.74 | 74% | 0.744 | S | S | * | * | | | cis | -148.7 | 172.1 | 40.5 | -58.3 | 162.2 | -172.2 | 165.9 | 0.6 | 107.5 | | |
| 1018 | Y | 30.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | | | cis | -145.1 | 138.3 | 20.3 | -63.3 | -101.9 | 0 | 0 | 0 | 110.9 | | |
| 1019 | N | 34.3 | Very low | 37.3 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | | | | -168.3 | 139.6 | 115.1 | -104.4 | -37.3 | 0 | 0 | 0 | 109.5 | | |
| 1020 | E | 31.5 | Very low | 37.9 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | | | trans | -113 | 163.9 | -174 | -64.3 | 168.2 | -136.1 | 0 | 0 | 108.4 | | |
| 1021 | N | 36.5 | Very low | 38.2 | Very low | 160 Ų | 160 | 151 Ų | 151 | 86% | 0.856 | 73% | 0.731 | S | S | * | * | | | trans | 76.9 | 69.6 | -174.4 | -43.3 | -54.5 | 0 | 0 | 0 | 117 | | |
| 1022 | L | 46.2 | Very low | 38.7 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | | | trans | -169.9 | 80.1 | 144.3 | -107.2 | 158.6 | 0 | 0 | 0 | 111 | I1024 | L1022-I1024 HydrophobicContact CD2-CD1 4.26Å; L1022-I1024 HydrophobicContact CD2-CG1 4.03Å; L1022-I1024 PolarHBondContact O-N 2.84Å |
| 1023 | H | 40.9 | Very low | 39.1 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | | | trans | -80.3 | 91 | 170.5 | -110.7 | 93.3 | 0 | 0 | 0 | 109.5 | | |
| 1024 | I | 48.4 | Very low | 39.3 | Very low | 86 Ų | 86 | 146.1 Ų | 146.1 | 44% | 0.441 | 72% | 0.718 | S | S | . | * | | | trans | -87.8 | 122.9 | 165.6 | -59 | 177.8 | 0 | 0 | 0 | 107.1 | L1022 Y1028 Y1029 | L1022-I1024 HydrophobicContact CD2-CD1 4.26Å; L1022-I1024 HydrophobicContact CD2-CG1 4.03Å; L1022-I1024 PolarHBondContact O-N 2.84Å; I1024-Y1028 HydrophobicContact CG2-CG 4.43Å; I1024-Y1029 HydrophobicContact CG2-CE2 4.43Å |
| 1025 | P | 52.8 | Low | 39.7 | Very low | 86 Ų | 86 | 149.6 Ų | 149.6 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | | | trans | -56.6 | 139.3 | 177.8 | -26.6 | 35.5 | 0 | 0 | 0 | 112.3 | E1027 Y1028 | P1025-E1027 PolarHBondContact O-N 3.34Å; P1025-Y1028 PolarHBondContact O-N 3.07Å; P1025-Y1028 VanDerWaalsContact O-N 3.15Å |
| 1026 | A | 47.3 | Very low | 39.7 | Very low | 67 Ų | 67 | 154 Ų | 154 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -13.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1027 | E | 41.9 | Very low | 39.6 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -30.1 | -178.8 | -61.7 | 175.3 | -122 | 0 | 0 | 111.8 | P1025 Y1029 R1030 H1031 | P1025-E1027 PolarHBondContact O-N 3.34Å; E1027-Y1029 PolarHBondContact O-N 3.26Å; E1027-R1030 PolarHBondContact O-N 2.87Å; E1027-H1031 PolarHBondContact O-CD2 3.12Å |
| 1028 | Y | 38.4 | Very low | 39.8 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -30.7 | 174.8 | -167.3 | -94.9 | 0 | 0 | 0 | 112.6 | I1024 P1025 | I1024-Y1028 HydrophobicContact CG2-CG 4.43Å; P1025-Y1028 PolarHBondContact O-N 3.07Å; P1025-Y1028 VanDerWaalsContact O-N 3.15Å |
| 1029 | Y | 42.6 | Very low | 40 | Very low | 176 Ų | 176 | 149 Ų | 149 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -5.8 | 177.5 | -76.8 | -81.1 | 0 | 0 | 0 | 114.5 | I1024 E1027 | I1024-Y1029 HydrophobicContact CG2-CE2 4.43Å; E1027-Y1029 PolarHBondContact O-N 3.26Å |
| 1030 | R | 41.7 | Very low | 40.2 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 70% | 0.698 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -19.2 | -180 | -76.7 | -179.5 | 169.4 | 150.3 | -2.3 | 114 | E1027 | E1027-R1030 PolarHBondContact O-N 2.87Š|
| 1031 | H | 40.8 | Very low | 40.4 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 72% | 0.718 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 12 | -170.2 | -77 | -114.8 | 0 | 0 | 0 | 115.9 | E1027 | E1027-H1031 PolarHBondContact O-CD2 3.12Š|
| 1032 | Q | 41.4 | Very low | 40.2 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.1 | 14.5 | 176 | -71.9 | -167.7 | -18.7 | 0 | 0 | 114.2 | | |
| 1033 | K | 42.2 | Very low | 39.9 | Very low | 195 Ų | 195 | 143 Ų | 143 | 85% | 0.848 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -123.9 | 7 | -167.2 | -115.5 | -177 | 179.9 | -175.7 | 0 | 117 | | |
| 1034 | S | 36 | Very low | 40.1 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -104 | -33.2 | -172.5 | 49.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1035 | D | 38.3 | Very low | 40 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -98.6 | -12.9 | -155.3 | -63.5 | 2.9 | 0 | 0 | 0 | 115 | S1037 | D1035-S1037 VanDerWaalsContact C-N 3.34Å; D1035-S1037 PolarHBondContact O-N 3.13Å; D1035-S1037 VanDerWaalsContact O-N 3.15Å |
| 1036 | F | 38.4 | Very low | 39.6 | Very low | 218 Ų | 218 | 134.7 Ų | 134.7 | 96% | 0.956 | 68% | 0.678 | S | S | * | * | | | trans | -88.8 | 64.1 | 175.4 | -83 | -80 | 0 | 0 | 0 | 112.4 | | |
| 1037 | S | 31.8 | Very low | 40 | Very low | 90 Ų | 90 | 133.4 Ų | 133.4 | 63% | 0.629 | 66% | 0.662 | S | S | * | * | | | trans | -131.3 | 89.9 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | D1035 | D1035-S1037 VanDerWaalsContact C-N 3.34Å; D1035-S1037 PolarHBondContact O-N 3.13Å; D1035-S1037 VanDerWaalsContact O-N 3.15Å |
| 1038 | R | 33.2 | Very low | 40.8 | Very low | 214 Ų | 214 | 128 Ų | 128 | 81% | 0.808 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -178.8 | 148.8 | 138.6 | -102.9 | 165.8 | -71.1 | -175.8 | 1.8 | 111.8 | | |
| 1039 | H | 35.9 | Very low | 41.4 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | | | trans | 75.3 | 133.7 | 173.9 | -45.8 | -63.1 | 0 | 0 | 0 | 117.3 | S1041 | H1039-S1041 PolarHBondContact O-N 3.28Å; H1039-S1041 VanDerWaalsContact O-N 3.07Å |
| 1040 | H | 39 | Very low | 42.8 | Very low | 204 Ų | 204 | 123.6 Ų | 123.6 | 94% | 0.944 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | 54 | -162 | -63.2 | -95.2 | 0 | 0 | 0 | 114.3 | | |
| 1041 | S | 34.1 | Very low | 44.8 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 67% | 0.671 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119 | -4.2 | -176.3 | -55.2 | 0 | 0 | 0 | 0 | 114.8 | H1039 S1043 | H1039-S1041 PolarHBondContact O-N 3.28Å; H1039-S1041 VanDerWaalsContact O-N 3.07Å; S1041-S1043 PolarHBondContact O-N 3.13Å |
| 1042 | S | 33 | Very low | 46.7 | Very low | 76 Ų | 76 | 111 Ų | 111 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -15.3 | -157.6 | -47 | 0 | 0 | 0 | 0 | 116.6 | T1044 T1045 A1046 | S1042-T1044 VanDerWaalsContact C-N 3.3Å; S1042-T1044 PolarHBondContact O-N 2.94Å; S1042-T1045 PolarHBondContact O-N 2.81Å; S1042-A1046 PolarHBondContact O-N 2.91Å |
| 1043 | S | 40.7 | Very low | 48.7 | Very low | 97 Ų | 97 | 109 Ų | 109 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.5 | -35.6 | -172.1 | -51.1 | 0 | 0 | 0 | 0 | 113.4 | S1041 I1047 | S1041-S1043 PolarHBondContact O-N 3.13Å; S1043-I1047 WeakPolarHBondContact O-CD1 3.33Å; S1043-I1047 VanDerWaalsContact O-CG1 3.27Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.37Å |
| 1044 | T | 44.1 | Very low | 51 | Low | 45 Ų | 45 | 102.6 Ų | 102.6 | 28% | 0.276 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -77.3 | -24.3 | 177.8 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | S1042 S1048 | S1042-T1044 VanDerWaalsContact C-N 3.3Å; S1042-T1044 PolarHBondContact O-N 2.94Å; T1044-S1048 PolarHBondContact O-N 3.25Å; T1044-S1048 PolarHBondContact O-OG 3.31Å |
| 1045 | T | 46 | Very low | 53.6 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -75.4 | -52.3 | -173 | -39.3 | 0 | 0 | 0 | 0 | 111.5 | S1042 I1047 S1048 E1049 | S1042-T1045 PolarHBondContact O-N 2.81Å; T1045-I1047 PolarHBondContact O-N 2.9Å; T1045-S1048 WeakPolarHBondContact O-CA 3.24Å; T1045-S1048 VanDerWaalsContact O-CB 3.32Å; T1045-S1048 WeakPolarHBondContact O-CB 3.34Å; T1045-S1048 PolarHBondContact O-N 3.47Å; T1045-E1049 PolarHBondContact O-N 3.04Å |
| 1046 | A | 45.4 | Very low | 56.2 | Low | 69 Ų | 69 | 98.7 Ų | 98.7 | 57% | 0.57 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -31.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1042 S1048 | S1042-A1046 PolarHBondContact O-N 2.91Å; A1046-S1048 VanDerWaalsContact C-N 3.29Å; A1046-S1048 PolarHBondContact O-N 3Å |
| 1047 | I | 55.7 | Low | 59 | Low | 40 Ų | 40 | 88.8 Ų | 88.8 | 21% | 0.205 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 171.3 | -68.9 | 175 | 0 | 0 | 0 | 111.2 | S1043 T1045 L1051 Y1114 | S1043-I1047 WeakPolarHBondContact O-CD1 3.33Å; S1043-I1047 VanDerWaalsContact O-CG1 3.27Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.37Å; T1045-I1047 PolarHBondContact O-N 2.9Å; I1047-L1051 HydrophobicContact CG2-CD1 3.87Å; I1047-L1051 WeakPolarHBondContact O-CG 3.47Å; I1047-Y1114 WeakPolarHBondContact CD1-OH 3.41Å; I1047-Y1114 VanDerWaalsContact CG1-OH 3.26Å; I1047-Y1114 WeakPolarHBondContact CG1-OH 3.46Å; I1047-Y1114 HydrophobicContact CG2-CE1 4.3Å; I1047-Y1114 WeakPolarHBondContact CG2-OH 3.42Å |
| 1048 | S | 58.2 | Low | 61.9 | Low | 22 Ų | 22 | 85.1 Ų | 85.1 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.8 | -41.4 | -175.1 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | T1044 T1045 A1046 Q1050 L1051 E1052 | T1044-S1048 PolarHBondContact O-N 3.25Å; T1044-S1048 PolarHBondContact O-OG 3.31Å; T1045-S1048 WeakPolarHBondContact O-CA 3.24Å; T1045-S1048 VanDerWaalsContact O-CB 3.32Å; T1045-S1048 WeakPolarHBondContact O-CB 3.34Å; T1045-S1048 PolarHBondContact O-N 3.47Å; A1046-S1048 VanDerWaalsContact C-N 3.29Å; A1046-S1048 PolarHBondContact O-N 3Å; S1048-Q1050 VanDerWaalsContact C-N 3.35Å; S1048-Q1050 PolarHBondContact O-N 3.01Å; S1048-L1051 CarbonylContact O-C 3.54Å; S1048-L1051 WeakPolarHBondContact O-CA 3.24Å; S1048-L1051 PolarHBondContact O-N 3.41Å; S1048-E1052 WeakPolarHBondContact O-CB 3.43Å; S1048-E1052 VanDerWaalsContact O-CG 3.24Å; S1048-E1052 WeakPolarHBondContact O-CG 3.14Å; S1048-E1052 PolarHBondContact O-N 2.84Å |
| 1049 | E | 51.2 | Low | 64.5 | Low | 126 Ų | 126 | 79 Ų | 79 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -55.5 | -42.2 | -177.2 | -66.9 | 175.8 | -159.6 | 0 | 0 | 113.9 | T1045 L1051 N1053 | T1045-E1049 PolarHBondContact O-N 3.04Å; E1049-L1051 VanDerWaalsContact C-N 3.33Å; E1049-L1051 PolarHBondContact O-N 3.48Å; E1049-N1053 PolarHBondContact O-ND2 3.24Å |
| 1050 | Q | 72.1 | Confident | 67 | Low | 127 Ų | 127 | 78.3 Ų | 78.3 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.6 | -25.4 | 178.2 | -167.8 | 174.9 | -2.2 | 0 | 0 | 112.9 | S1048 | S1048-Q1050 VanDerWaalsContact C-N 3.35Å; S1048-Q1050 PolarHBondContact O-N 3.01Å |
| 1051 | L | 84.3 | Confident | 69.6 | Low | 8 Ų | 8 | 69.8 Ų | 69.8 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -86.1 | -32.1 | 177.7 | -60.2 | 176.9 | 0 | 0 | 0 | 112.5 | I1047 S1048 E1049 N1053 Q1054 W1056 F1057 L1090 V1126 | I1047-L1051 HydrophobicContact CG2-CD1 3.87Å; I1047-L1051 WeakPolarHBondContact O-CG 3.47Å; S1048-L1051 CarbonylContact O-C 3.54Å; S1048-L1051 WeakPolarHBondContact O-CA 3.24Å; S1048-L1051 PolarHBondContact O-N 3.41Å; E1049-L1051 VanDerWaalsContact C-N 3.33Å; E1049-L1051 PolarHBondContact O-N 3.48Å; L1051-N1053 PolarHBondContact O-N 2.92Å; L1051-Q1054 VanDerWaalsContact O-CB 3.26Å; L1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; L1051-Q1054 PolarHBondContact O-N 2.69Å; L1051-W1056 HydrophobicContact CD2-CH2 4.3Å; L1051-F1057 HydrophobicContact CB-CD1 3.82Å; L1051-F1057 HydrophobicContact CB-CD2 4.37Å; L1051-F1057 HydrophobicContact CB-CE1 3.92Å; L1051-F1057 HydrophobicContact CB-CE2 4.47Å; L1051-F1057 HydrophobicContact CB-CG 4.05Å; L1051-F1057 HydrophobicContact CB-CZ 4.25Å; L1051-F1057 HydrophobicContact CD1-CE2 4.43Å; L1051-F1057 HydrophobicContact CD1-CZ 4.48Å; L1051-F1057 WeakPolarHBondContact O-CB 3.01Å; L1051-F1057 VanDerWaalsContact O-CD1 3.3Å; L1051-F1057 WeakPolarHBondContact O-CD1 3.13Å; L1051-L1090 HydrophobicContact CD1-CD1 3.63Å; L1051-V1126 HydrophobicContact CD1-CG2 4.15Å; L1051-V1126 HydrophobicContact CD2-CB 3.73Å; L1051-V1126 HydrophobicContact CD2-CG1 4.43Å; L1051-V1126 HydrophobicContact CD2-CG2 3.96Å |
| 1052 | E | 80.2 | Confident | 72.5 | Confident | 69 Ų | 69 | 67.1 Ų | 67.1 | 32% | 0.322 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.7 | -23.1 | -179.2 | -78.3 | -179.2 | -174.3 | 0 | 0 | 113.5 | S1048 Q1054 F1057 R1059 | S1048-E1052 WeakPolarHBondContact O-CB 3.43Å; S1048-E1052 VanDerWaalsContact O-CG 3.24Å; S1048-E1052 WeakPolarHBondContact O-CG 3.14Å; S1048-E1052 PolarHBondContact O-N 2.84Å; E1052-Q1054 VanDerWaalsContact C-N 3.31Å; E1052-F1057 HydrophobicContact CG-CE1 4.27Å; E1052-R1059 IonicContact OE1-CZ 3.31Å; E1052-R1059 VanDerWaalsContact OE1-CZ 3.32Å; E1052-R1059 IonicContact OE1-NE 3.95Å; E1052-R1059 IonicContact OE1-NH1 2.98Å; E1052-R1059 PolarHBondContact OE1-NH1 2.79Å; E1052-R1059 IonicContact OE1-NH2 2.85Å; E1052-R1059 IonicContact OE2-CZ 3.65Å; E1052-R1059 IonicContact OE2-NH1 3.98Å; E1052-R1059 PolarHBondContact OE2-NH1 3.2Å; E1052-R1059 IonicContact OE2-NH2 3.26Å; E1052-R1059 PolarHBondContact OE2-NH2 3.15Å |
| 1053 | N | 83 | Confident | 75.5 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 72% | 0.717 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -3.5 | 172.4 | -67.1 | -51.3 | 0 | 0 | 0 | 113.7 | E1049 L1051 | E1049-N1053 PolarHBondContact O-ND2 3.24Å; L1051-N1053 PolarHBondContact O-N 2.92Å |
| 1054 | Q | 90.2 | Very high | 78.1 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | | | trans | -94.5 | 121.2 | -179.1 | -59.8 | -62.6 | -51.8 | 0 | 0 | 111.2 | L1051 E1052 W1056 F1057 | L1051-Q1054 VanDerWaalsContact O-CB 3.26Å; L1051-Q1054 WeakPolarHBondContact O-CB 3.48Å; L1051-Q1054 PolarHBondContact O-N 2.69Å; E1052-Q1054 VanDerWaalsContact C-N 3.31Å; Q1054-W1056 HydrophobicContact CB-CD2 4Å; Q1054-W1056 HydrophobicContact CB-CE3 4.43Å; Q1054-W1056 HydrophobicContact CB-CG 4.49Å; Q1054-W1056 HydrophobicContact CB-CH2 4.18Å; Q1054-W1056 HydrophobicContact CB-CZ2 3.72Å; Q1054-W1056 HydrophobicContact CG-CH2 4.01Å; Q1054-W1056 HydrophobicContact CG-CZ2 3.52Å; Q1054-W1056 PolarHBondContact O-N 3.27Å; Q1054-W1056 VanDerWaalsContact O-N 3.15Å; Q1054-W1056 VanDerWaalsContact OE1-NE1 3.1Å; Q1054-F1057 HydrophobicContact CB-CB 4.08Å; Q1054-F1057 WeakPolarHBondContact O-CB 3.39Å; Q1054-F1057 PolarHBondContact O-N 3.04Å |
| 1055 | L | 91.4 | Very high | 80.6 | Confident | 120 Ų | 120 | 70.2 Ų | 70.2 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -31.3 | -179.6 | -62.7 | 178.5 | 0 | 0 | 0 | 113.3 | F1057 S1153 R1154 | L1055-F1057 VanDerWaalsContact C-N 3.27Å; L1055-F1057 PolarHBondContact O-N 3.38Å; L1055-S1153 CarbonylContact O-C 3.52Å; L1055-S1153 WeakPolarHBondContact O-CA 3.43Å; L1055-R1154 PolarHBondContact O-N 3.18Å |
| 1056 | W | 93.7 | Very high | 83 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 9% | 0.087 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | 0 | 177.6 | 49.1 | -96.9 | 0 | 0 | 0 | 114.3 | L1051 Q1054 F1078 V1080 V1126 I1130 P1151 | L1051-W1056 HydrophobicContact CD2-CH2 4.3Å; Q1054-W1056 HydrophobicContact CB-CD2 4Å; Q1054-W1056 HydrophobicContact CB-CE3 4.43Å; Q1054-W1056 HydrophobicContact CB-CG 4.49Å; Q1054-W1056 HydrophobicContact CB-CH2 4.18Å; Q1054-W1056 HydrophobicContact CB-CZ2 3.72Å; Q1054-W1056 HydrophobicContact CG-CH2 4.01Å; Q1054-W1056 HydrophobicContact CG-CZ2 3.52Å; Q1054-W1056 PolarHBondContact O-N 3.27Å; Q1054-W1056 VanDerWaalsContact O-N 3.15Å; Q1054-W1056 VanDerWaalsContact OE1-NE1 3.1Å; W1056-F1078 HydrophobicContact CB-CE2 4.18Å; W1056-F1078 HydrophobicContact CG-CE2 4.24Å; W1056-V1080 HydrophobicContact CE3-CB 3.78Å; W1056-V1080 HydrophobicContact CE3-CG2 3.63Å; W1056-V1080 HydrophobicContact CZ3-CB 3.76Å; W1056-V1080 HydrophobicContact CZ3-CG1 4.44Å; W1056-V1080 HydrophobicContact CZ3-CG2 3.58Å; W1056-V1080 PolarHBondContact O-N 3.38Å; W1056-V1126 HydrophobicContact CH2-CB 4.44Å; W1056-V1126 HydrophobicContact CH2-CG1 3.97Å; W1056-V1126 HydrophobicContact CZ3-CG1 4.02Å; W1056-I1130 HydrophobicContact CH2-CG1 4.13Å; W1056-I1130 HydrophobicContact CZ2-CG1 4.44Å; W1056-I1130 HydrophobicContact CZ3-CG1 4.2Å; W1056-P1151 HydrophobicContact CB-CB 3.84Å; W1056-P1151 HydrophobicContact CG-CB 4.38Å |
| 1057 | F | 95.2 | Very high | 85.4 | Confident | 11 Ų | 11 | 65.2 Ų | 65.2 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 115.7 | 179.6 | -178.2 | -114 | 0 | 0 | 0 | 111.8 | L1051 E1052 Q1054 L1055 R1059 V1080 L1090 R1154 | L1051-F1057 HydrophobicContact CB-CD1 3.82Å; L1051-F1057 HydrophobicContact CB-CD2 4.37Å; L1051-F1057 HydrophobicContact CB-CE1 3.92Å; L1051-F1057 HydrophobicContact CB-CE2 4.47Å; L1051-F1057 HydrophobicContact CB-CG 4.05Å; L1051-F1057 HydrophobicContact CB-CZ 4.25Å; L1051-F1057 HydrophobicContact CD1-CE2 4.43Å; L1051-F1057 HydrophobicContact CD1-CZ 4.48Å; L1051-F1057 WeakPolarHBondContact O-CB 3.01Å; L1051-F1057 VanDerWaalsContact O-CD1 3.3Å; L1051-F1057 WeakPolarHBondContact O-CD1 3.13Å; E1052-F1057 HydrophobicContact CG-CE1 4.27Å; Q1054-F1057 HydrophobicContact CB-CB 4.08Å; Q1054-F1057 WeakPolarHBondContact O-CB 3.39Å; Q1054-F1057 PolarHBondContact O-N 3.04Å; L1055-F1057 VanDerWaalsContact C-N 3.27Å; L1055-F1057 PolarHBondContact O-N 3.38Å; F1057-R1059 HydrophobicContact CE1-CG 4.17Å; F1057-V1080 CarbonylContact C-O 3.54Å; F1057-V1080 WeakPolarHBondContact CA-O 3.3Å; F1057-V1080 HydrophobicContact CD2-CB 4.22Å; F1057-V1080 HydrophobicContact CD2-CG1 4.02Å; F1057-V1080 HydrophobicContact CE2-CG1 4.35Å; F1057-L1090 HydrophobicContact CE2-CD1 4.2Å; F1057-L1090 HydrophobicContact CE2-CD2 3.95Å; F1057-L1090 HydrophobicContact CZ-CD2 4.33Å; F1057-R1154 WeakPolarHBondContact O-CD 3.43Å |
| 1058 | H | 93.2 | Very high | 87.3 | Confident | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.056 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 100 | -178.4 | -62.2 | -121.5 | 0 | 0 | 0 | 109.4 | L1061 V1080 R1081 I1152 S1153 R1154 | H1058-L1061 HydrophobicContact CB-CB 3.72Å; H1058-L1061 HydrophobicContact CB-CD1 4.5Å; H1058-L1061 HydrophobicContact CB-CD2 3.8Å; H1058-L1061 HydrophobicContact CB-CG 4.22Å; H1058-V1080 PolarHBondContact N-O 2.98Å; H1058-R1081 VanDerWaalsContact O-CA 3.27Å; H1058-R1081 WeakPolarHBondContact O-CA 3.35Å; H1058-R1081 WeakPolarHBondContact O-CB 3.44Å; H1058-I1152 PolarHBondContact NE2-O 3.34Å; H1058-S1153 PolarHBondContact CE1-O 3.24Å; H1058-R1154 WeakPolarHBondContact CE1-CA 3.21Å; H1058-R1154 PolarHBondContact CE1-N 3.15Å; H1058-R1154 PolarHBondContact NE2-N 3.19Å |
| 1059 | R | 88.8 | Confident | 89 | Confident | 86 Ų | 86 | 72.1 Ų | 72.1 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.5 | -81.5 | -170.7 | -56 | -177 | -166.4 | -141.9 | -4.5 | 113.6 | E1052 F1057 R1082 | E1052-R1059 IonicContact OE1-CZ 3.31Å; E1052-R1059 VanDerWaalsContact OE1-CZ 3.32Å; E1052-R1059 IonicContact OE1-NE 3.95Å; E1052-R1059 IonicContact OE1-NH1 2.98Å; E1052-R1059 PolarHBondContact OE1-NH1 2.79Å; E1052-R1059 IonicContact OE1-NH2 2.85Å; E1052-R1059 IonicContact OE2-CZ 3.65Å; E1052-R1059 IonicContact OE2-NH1 3.98Å; E1052-R1059 PolarHBondContact OE2-NH1 3.2Å; E1052-R1059 IonicContact OE2-NH2 3.26Å; E1052-R1059 PolarHBondContact OE2-NH2 3.15Å; F1057-R1059 HydrophobicContact CE1-CG 4.17Å; R1059-R1082 WeakPolarHBondContact O-CB 3.37Å; R1059-R1082 PolarHBondContact O-N 2.9Å |
| 1060 | D | 88.2 | Confident | 91.2 | Very high | 136 Ų | 136 | 66.1 Ų | 66.1 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 43.3 | -171.9 | -54.6 | -75.1 | 0 | 0 | 0 | 111.9 | | |
| 1061 | L | 93.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | | | trans | -77.7 | 122.7 | 179.1 | -162.5 | 75.8 | 0 | 0 | 0 | 110.8 | H1058 H1065 A1066 L1069 L1079 R1081 | H1058-L1061 HydrophobicContact CB-CB 3.72Å; H1058-L1061 HydrophobicContact CB-CD1 4.5Å; H1058-L1061 HydrophobicContact CB-CD2 3.8Å; H1058-L1061 HydrophobicContact CB-CG 4.22Å; L1061-H1065 HydrophobicContact CD1-CB 4.18Å; L1061-H1065 HydrophobicContact CG-CB 4.42Å; L1061-A1066 HydrophobicContact CD2-CB 3.79Å; L1061-A1066 HydrophobicContact CG-CB 4.43Å; L1061-L1069 HydrophobicContact CD1-CD1 4.32Å; L1061-L1069 HydrophobicContact CD2-CD1 4.14Å; L1061-L1079 HydrophobicContact CD2-CD1 3.73Å; L1061-L1079 HydrophobicContact CD2-CD2 3.76Å; L1061-L1079 HydrophobicContact CD2-CG 4.43Å; L1061-R1081 HydrophobicContact CB-CB 3.92Å; L1061-R1081 WeakPolarHBondContact O-CD 3.27Å; L1061-R1081 PolarHBondContact O-NH1 3.38Å |
| 1062 | S | 94.5 | Very high | 92.5 | Very high | 39 Ų | 39 | 71.3 Ų | 71.3 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | | | trans | -66.7 | 157.5 | 174.6 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | S1064 H1065 A1066 E1084 | S1062-S1064 VanDerWaalsContact C-N 3.34Å; S1062-S1064 PolarHBondContact O-N 3.11Å; S1062-S1064 PolarHBondContact OG-OG 3.49Å; S1062-H1065 PolarHBondContact O-N 2.87Å; S1062-H1065 VanDerWaalsContact OG-CB 3.29Å; S1062-H1065 WeakPolarHBondContact OG-CB 3.34Å; S1062-H1065 PolarHBondContact OG-N 2.85Å; S1062-H1065 VanDerWaalsContact OG-N 3.1Å; S1062-A1066 WeakPolarHBondContact O-CB 3.38Å; S1062-A1066 PolarHBondContact O-N 2.79Å; S1062-E1084 VanDerWaalsContact CA-OE1 3.23Å; S1062-E1084 WeakPolarHBondContact CA-OE1 3.22Å; S1062-E1084 VanDerWaalsContact CB-OE1 3.32Å; S1062-E1084 WeakPolarHBondContact CB-OE1 3.36Å |
| 1063 | R | 95.7 | Very high | 93.2 | Very high | 125 Ų | 125 | 69.2 Ų | 69.2 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.5 | -49.1 | 174.2 | 177.8 | 171.6 | 172.9 | 169.2 | -0.2 | 110.9 | H1065 A1066 E1067 E1084 H1102 | R1063-H1065 VanDerWaalsContact C-N 3.26Å; R1063-H1065 PolarHBondContact O-N 2.93Å; R1063-A1066 WeakPolarHBondContact O-CB 3.15Å; R1063-A1066 PolarHBondContact O-N 2.55Å; R1063-A1066 VanDerWaalsContact O-N 3.17Å; R1063-E1067 HydrophobicContact CG-CG 4.35Å; R1063-E1067 WeakPolarHBondContact CG-OE1 3.49Å; R1063-E1067 IonicContact CZ-OE1 3.02Å; R1063-E1067 IonicContact NE-OE1 3.12Å; R1063-E1067 PolarHBondContact NE-OE1 2.86Å; R1063-E1067 IonicContact NH2-OE1 2.81Å; R1063-E1067 PolarHBondContact NH2-OE1 3.09Å; R1063-E1067 WeakPolarHBondContact O-CB 3.35Å; R1063-E1067 WeakPolarHBondContact O-CG 3.34Å; R1063-E1067 PolarHBondContact O-N 3.02Å; R1063-E1084 WeakPolarHBondContact CB-OE2 3.29Å; R1063-E1084 PolarHBondContact N-OE1 3.01Å; R1063-E1084 PolarHBondContact N-OE2 2.82Å; R1063-E1084 VanDerWaalsContact N-OE2 3.15Å; R1063-H1102 PolarHBondContact NE-CD2 3.17Å |
| 1064 | S | 96.2 | Very high | 93.7 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 49% | 0.49 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.9 | -29.8 | -177.8 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | S1062 K1068 | S1062-S1064 VanDerWaalsContact C-N 3.34Å; S1062-S1064 PolarHBondContact O-N 3.11Å; S1062-S1064 PolarHBondContact OG-OG 3.49Å; S1064-K1068 VanDerWaalsContact O-CG 3.28Å; S1064-K1068 WeakPolarHBondContact O-CG 3.23Å; S1064-K1068 PolarHBondContact O-N 3.37Å |
| 1065 | H | 95.2 | Very high | 94 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 41% | 0.412 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -77.5 | -40.4 | 172.3 | -160.9 | 116.4 | 0 | 0 | 0 | 111.7 | L1061 S1062 R1063 E1067 K1068 L1069 | L1061-H1065 HydrophobicContact CD1-CB 4.18Å; L1061-H1065 HydrophobicContact CG-CB 4.42Å; S1062-H1065 PolarHBondContact O-N 2.87Å; S1062-H1065 VanDerWaalsContact OG-CB 3.29Å; S1062-H1065 WeakPolarHBondContact OG-CB 3.34Å; S1062-H1065 PolarHBondContact OG-N 2.85Å; S1062-H1065 VanDerWaalsContact OG-N 3.1Å; R1063-H1065 VanDerWaalsContact C-N 3.26Å; R1063-H1065 PolarHBondContact O-N 2.93Å; H1065-E1067 VanDerWaalsContact C-N 3.33Å; H1065-E1067 PolarHBondContact O-N 3.44Å; H1065-K1068 WeakPolarHBondContact O-CB 3.23Å; H1065-K1068 PolarHBondContact O-N 3.41Å; H1065-K1068 VanDerWaalsContact O-N 3.14Å; H1065-L1069 PolarHBondContact O-N 3.14Å |
| 1066 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1061 S1062 R1063 L1069 L1070 L1079 | L1061-A1066 HydrophobicContact CD2-CB 3.79Å; L1061-A1066 HydrophobicContact CG-CB 4.43Å; S1062-A1066 WeakPolarHBondContact O-CB 3.38Å; S1062-A1066 PolarHBondContact O-N 2.79Å; R1063-A1066 WeakPolarHBondContact O-CB 3.15Å; R1063-A1066 PolarHBondContact O-N 2.55Å; R1063-A1066 VanDerWaalsContact O-N 3.17Å; A1066-L1069 PolarHBondContact O-N 3.09Å; A1066-L1070 WeakPolarHBondContact O-CB 3.03Å; A1066-L1070 WeakPolarHBondContact O-CG 3.46Å; A1066-L1070 PolarHBondContact O-N 3.41Å; A1066-L1079 HydrophobicContact CB-CD1 4.06Å; A1066-L1079 HydrophobicContact CB-CD2 4.38Å |
| 1067 | E | 96.8 | Very high | 94.2 | Very high | 46 Ų | 46 | 60.2 Ų | 60.2 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 173 | -72.1 | 175.7 | -167.2 | 0 | 0 | 111.7 | R1063 H1065 L1070 K1071 V1100 H1102 | R1063-E1067 HydrophobicContact CG-CG 4.35Å; R1063-E1067 WeakPolarHBondContact CG-OE1 3.49Å; R1063-E1067 IonicContact CZ-OE1 3.02Å; R1063-E1067 IonicContact NE-OE1 3.12Å; R1063-E1067 PolarHBondContact NE-OE1 2.86Å; R1063-E1067 IonicContact NH2-OE1 2.81Å; R1063-E1067 PolarHBondContact NH2-OE1 3.09Å; R1063-E1067 WeakPolarHBondContact O-CB 3.35Å; R1063-E1067 WeakPolarHBondContact O-CG 3.34Å; R1063-E1067 PolarHBondContact O-N 3.02Å; H1065-E1067 VanDerWaalsContact C-N 3.33Å; H1065-E1067 PolarHBondContact O-N 3.44Å; E1067-L1070 PolarHBondContact O-N 2.94Å; E1067-K1071 WeakPolarHBondContact O-CB 3.06Å; E1067-K1071 WeakPolarHBondContact O-CD 3.41Å; E1067-K1071 WeakPolarHBondContact O-CG 3.24Å; E1067-K1071 PolarHBondContact O-N 3.18Å; E1067-V1100 HydrophobicContact CG-CB 4.2Å; E1067-V1100 HydrophobicContact CG-CG1 4.19Å; E1067-H1102 WeakPolarHBondContact CG-NE2 3.23Å; E1067-H1102 IonicContact OE1-CD2 3.36Å; E1067-H1102 IonicContact OE1-NE2 2.71Å; E1067-H1102 PolarHBondContact OE1-NE2 3.47Å |
| 1068 | K | 95.2 | Very high | 94.3 | Very high | 145 Ų | 145 | 60 Ų | 60 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62 | -48.1 | 174.5 | -77.3 | 172.2 | -179.5 | -174.2 | 0 | 112.2 | S1064 H1065 L1070 K1071 | S1064-K1068 VanDerWaalsContact O-CG 3.28Å; S1064-K1068 WeakPolarHBondContact O-CG 3.23Å; S1064-K1068 PolarHBondContact O-N 3.37Å; H1065-K1068 WeakPolarHBondContact O-CB 3.23Å; H1065-K1068 PolarHBondContact O-N 3.41Å; H1065-K1068 VanDerWaalsContact O-N 3.14Å; K1068-L1070 VanDerWaalsContact C-N 3.3Å; K1068-L1070 PolarHBondContact O-N 3.12Å; K1068-K1071 PolarHBondContact O-N 3.42Å |
| 1069 | L | 94.7 | Very high | 94.5 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 32% | 0.319 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 178.5 | -69.9 | 176.8 | 0 | 0 | 0 | 112.8 | L1061 H1065 A1066 T1073 L1079 | L1061-L1069 HydrophobicContact CD1-CD1 4.32Å; L1061-L1069 HydrophobicContact CD2-CD1 4.14Å; H1065-L1069 PolarHBondContact O-N 3.14Å; A1066-L1069 PolarHBondContact O-N 3.09Å; L1069-T1073 WeakPolarHBondContact O-CG2 3.35Å; L1069-L1079 HydrophobicContact CD1-CD2 4.42Å |
| 1070 | L | 95.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -83.6 | -24.5 | -178.5 | -73 | 167.6 | 0 | 0 | 0 | 113.5 | A1066 E1067 K1068 S1072 T1073 L1079 K1095 V1100 I1152 | A1066-L1070 WeakPolarHBondContact O-CB 3.03Å; A1066-L1070 WeakPolarHBondContact O-CG 3.46Å; A1066-L1070 PolarHBondContact O-N 3.41Å; E1067-L1070 PolarHBondContact O-N 2.94Å; K1068-L1070 VanDerWaalsContact C-N 3.3Å; K1068-L1070 PolarHBondContact O-N 3.12Å; L1070-S1072 VanDerWaalsContact C-N 3.33Å; L1070-S1072 PolarHBondContact O-N 3.21Å; L1070-T1073 PolarHBondContact O-N 3.19Å; L1070-T1073 PolarHBondContact O-OG1 2.95Å; L1070-L1079 HydrophobicContact CD1-CG 4.46Å; L1070-L1079 HydrophobicContact CG-CD2 4.44Å; L1070-K1095 HydrophobicContact CB-CB 4.25Å; L1070-K1095 HydrophobicContact CD2-CB 4.22Å; L1070-K1095 VanDerWaalsContact O-CD 3.3Å; L1070-K1095 WeakPolarHBondContact O-CD 3.4Å; L1070-V1100 HydrophobicContact CB-CG1 4.47Å; L1070-V1100 HydrophobicContact CB-CG2 4.03Å; L1070-V1100 HydrophobicContact CD1-CG1 3.75Å; L1070-I1152 HydrophobicContact CD2-CG1 3.89Å |
| 1071 | K | 93.6 | Very high | 95.2 | Very high | 134 Ų | 134 | 49.2 Ų | 49.2 | 58% | 0.583 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.3 | -41 | -176.4 | -89.8 | 165.3 | -173.4 | -178.5 | 0 | 113.8 | E1067 K1068 T1073 | E1067-K1071 WeakPolarHBondContact O-CB 3.06Å; E1067-K1071 WeakPolarHBondContact O-CD 3.41Å; E1067-K1071 WeakPolarHBondContact O-CG 3.24Å; E1067-K1071 PolarHBondContact O-N 3.18Å; K1068-K1071 PolarHBondContact O-N 3.42Å; K1071-T1073 VanDerWaalsContact C-N 3.35Å; K1071-T1073 PolarHBondContact O-N 3.03Å |
| 1072 | S | 90.5 | Very high | 95.2 | Very high | 111 Ų | 111 | 51.4 Ų | 51.4 | 78% | 0.776 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 26.6 | -179.2 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | L1070 | L1070-S1072 VanDerWaalsContact C-N 3.33Å; L1070-S1072 PolarHBondContact O-N 3.21Å |
| 1073 | T | 94.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -122.4 | 156.1 | -176.7 | 67.1 | 0 | 0 | 0 | 0 | 111.1 | L1069 L1070 K1071 S1077 K1095 I1152 | L1069-T1073 WeakPolarHBondContact O-CG2 3.35Å; L1070-T1073 PolarHBondContact O-N 3.19Å; L1070-T1073 PolarHBondContact O-OG1 2.95Å; K1071-T1073 VanDerWaalsContact C-N 3.35Å; K1071-T1073 PolarHBondContact O-N 3.03Å; T1073-S1077 WeakPolarHBondContact CB-OG 3.19Å; T1073-S1077 WeakPolarHBondContact OG1-CB 3.37Å; T1073-S1077 PolarHBondContact OG1-OG 3.37Å; T1073-K1095 WeakPolarHBondContact O-CG 3.27Å; T1073-I1152 HydrophobicContact CG2-CD1 3.79Å |
| 1074 | P | 95.2 | Very high | 94.9 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 50% | 0.5 | 26% | 0.257 | S | S | . | . | | | trans | -67.7 | 154.3 | 179.6 | 25.4 | -34.1 | 0 | 0 | 0 | 112.8 | G1076 S1077 F1150 | P1074-G1076 PolarHBondContact O-N 3.23Å; P1074-S1077 WeakPolarHBondContact CD-OG 3.41Å; P1074-S1077 VanDerWaalsContact O-CB 3.22Å; P1074-S1077 WeakPolarHBondContact O-CB 3.21Å; P1074-S1077 PolarHBondContact O-N 2.94Å; P1074-S1077 PolarHBondContact O-OG 3.38Å; P1074-F1150 HydrophobicContact CB-CD2 4.28Å; P1074-F1150 HydrophobicContact CB-CE2 4.05Å; P1074-F1150 HydrophobicContact CG-CD2 3.7Å; P1074-F1150 HydrophobicContact CG-CE2 3.83Å; P1074-F1150 HydrophobicContact CG-CG 4.26Å; P1074-F1150 HydrophobicContact CG-CZ 4.48Å |
| 1075 | T | 94.7 | Very high | 94.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 132.6 | 175 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1076 | G | 94.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | 4.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P1074 K1095 L1147 R1149 F1150 | P1074-G1076 PolarHBondContact O-N 3.23Å; G1076-K1095 PolarHBondContact N-O 3.01Å; G1076-L1147 VanDerWaalsContact CA-O 3.27Å; G1076-L1147 WeakPolarHBondContact CA-O 3.35Å; G1076-R1149 PolarHBondContact O-N 2.96Å; G1076-F1150 PolarHBondContact O-N 3.25Å; G1076-F1150 VanDerWaalsContact O-N 3.12Å |
| 1077 | S | 96.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 142.9 | 166.4 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | T1073 P1074 I1094 K1095 F1150 | T1073-S1077 WeakPolarHBondContact CB-OG 3.19Å; T1073-S1077 WeakPolarHBondContact OG1-CB 3.37Å; T1073-S1077 PolarHBondContact OG1-OG 3.37Å; P1074-S1077 WeakPolarHBondContact CD-OG 3.41Å; P1074-S1077 VanDerWaalsContact O-CB 3.22Å; P1074-S1077 WeakPolarHBondContact O-CB 3.21Å; P1074-S1077 PolarHBondContact O-N 2.94Å; P1074-S1077 PolarHBondContact O-OG 3.38Å; S1077-I1094 CarbonylContact O-C 3.6Å; S1077-I1094 WeakPolarHBondContact O-CA 3.49Å; S1077-K1095 PolarHBondContact O-N 2.85Å; S1077-F1150 CarbonylContact C-O 3.44Å; S1077-F1150 VanDerWaalsContact CA-O 3.24Å; S1077-F1150 WeakPolarHBondContact CA-O 3.46Å |
| 1078 | F | 97 | Very high | 93.1 | Very high | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.3 | -174.2 | 73.8 | -83.1 | 0 | 0 | 0 | 114.5 | W1056 L1092 S1093 I1094 I1130 L1148 F1150 P1151 I1152 | W1056-F1078 HydrophobicContact CB-CE2 4.18Å; W1056-F1078 HydrophobicContact CG-CE2 4.24Å; F1078-L1092 HydrophobicContact CB-CD1 4.13Å; F1078-L1092 HydrophobicContact CD2-CD1 3.95Å; F1078-L1092 HydrophobicContact CG-CD1 4.45Å; F1078-S1093 CarbonylContact C-O 3.57Å; F1078-S1093 VanDerWaalsContact CA-O 3.24Å; F1078-S1093 WeakPolarHBondContact CA-O 3.36Å; F1078-I1094 HydrophobicContact CB-CB 4.5Å; F1078-I1094 HydrophobicContact CB-CG1 3.96Å; F1078-I1130 HydrophobicContact CD2-CD1 4.42Å; F1078-I1130 HydrophobicContact CE2-CD1 4.23Å; F1078-I1130 HydrophobicContact CE2-CG2 3.56Å; F1078-I1130 HydrophobicContact CZ-CG2 3.71Å; F1078-L1148 HydrophobicContact CB-CD2 3.88Å; F1078-L1148 HydrophobicContact CD1-CB 3.71Å; F1078-L1148 HydrophobicContact CD1-CD2 4.16Å; F1078-L1148 HydrophobicContact CD1-CG 4.44Å; F1078-L1148 HydrophobicContact CD2-CD1 4.46Å; F1078-L1148 HydrophobicContact CD2-CD2 4.47Å; F1078-L1148 HydrophobicContact CE1-CB 3.72Å; F1078-L1148 HydrophobicContact CG-CB 4.19Å; F1078-L1148 HydrophobicContact CG-CD2 3.91Å; F1078-L1148 HydrophobicContact CG-CG 4.47Å; F1078-L1148 HydrophobicContact CZ-CB 4.23Å; F1078-F1150 WeakPolarHBondContact CD1-O 3.27Å; F1078-F1150 PolarHBondContact N-O 3.26Å; F1078-P1151 HydrophobicContact CE1-CB 4.02Å; F1078-P1151 HydrophobicContact CE2-CB 4.38Å; F1078-P1151 HydrophobicContact CZ-CB 3.77Å; F1078-I1152 PolarHBondContact O-N 2.91Å |
| 1079 | L | 96.5 | Very high | 93 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.7 | 166.9 | 61.9 | 85.5 | 0 | 0 | 0 | 110.8 | L1061 A1066 L1069 L1070 R1081 S1093 I1152 | L1061-L1079 HydrophobicContact CD2-CD1 3.73Å; L1061-L1079 HydrophobicContact CD2-CD2 3.76Å; L1061-L1079 HydrophobicContact CD2-CG 4.43Å; A1066-L1079 HydrophobicContact CB-CD1 4.06Å; A1066-L1079 HydrophobicContact CB-CD2 4.38Å; L1069-L1079 HydrophobicContact CD1-CD2 4.42Å; L1070-L1079 HydrophobicContact CD1-CG 4.46Å; L1070-L1079 HydrophobicContact CG-CD2 4.44Å; L1079-R1081 HydrophobicContact CD1-CB 4.1Å; L1079-R1081 HydrophobicContact CD1-CG 4.32Å; L1079-S1093 PolarHBondContact N-O 2.68Å; L1079-S1093 PolarHBondContact O-N 2.86Å; L1079-I1152 HydrophobicContact CB-CB 4.41Å; L1079-I1152 HydrophobicContact CD2-CB 4.49Å; L1079-I1152 HydrophobicContact CD2-CG2 4.45Å |
| 1080 | V | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.8 | 168.2 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | W1056 F1057 H1058 L1090 S1091 L1092 I1105 V1126 I1130 | W1056-V1080 HydrophobicContact CE3-CB 3.78Å; W1056-V1080 HydrophobicContact CE3-CG2 3.63Å; W1056-V1080 HydrophobicContact CZ3-CB 3.76Å; W1056-V1080 HydrophobicContact CZ3-CG1 4.44Å; W1056-V1080 HydrophobicContact CZ3-CG2 3.58Å; W1056-V1080 PolarHBondContact O-N 3.38Å; F1057-V1080 CarbonylContact C-O 3.54Å; F1057-V1080 WeakPolarHBondContact CA-O 3.3Å; F1057-V1080 HydrophobicContact CD2-CB 4.22Å; F1057-V1080 HydrophobicContact CD2-CG1 4.02Å; F1057-V1080 HydrophobicContact CE2-CG1 4.35Å; H1058-V1080 PolarHBondContact N-O 2.98Å; V1080-L1090 HydrophobicContact CG1-CB 4.06Å; V1080-L1090 HydrophobicContact CG1-CD1 4.22Å; V1080-S1091 WeakPolarHBondContact CA-O 3.45Å; V1080-L1092 HydrophobicContact CG2-CB 4.48Å; V1080-L1092 HydrophobicContact CG2-CD1 3.97Å; V1080-I1105 HydrophobicContact CG1-CD1 3.82Å; V1080-I1105 HydrophobicContact CG2-CD1 4.32Å; V1080-V1126 HydrophobicContact CG1-CG1 4.45Å; V1080-V1126 HydrophobicContact CG2-CG1 4.45Å; V1080-I1130 HydrophobicContact CG2-CD1 3.81Å; V1080-I1130 HydrophobicContact CG2-CG1 4.31Å |
| 1081 | R | 95.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 52.7 Ų | 52.7 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 165.5 | 178.9 | 66.1 | -165.9 | -171.2 | 81 | 5.3 | 111 | H1058 L1061 L1079 E1084 L1090 S1091 S1093 | H1058-R1081 VanDerWaalsContact O-CA 3.27Å; H1058-R1081 WeakPolarHBondContact O-CA 3.35Å; H1058-R1081 WeakPolarHBondContact O-CB 3.44Å; L1061-R1081 HydrophobicContact CB-CB 3.92Å; L1061-R1081 WeakPolarHBondContact O-CD 3.27Å; L1061-R1081 PolarHBondContact O-NH1 3.38Å; L1079-R1081 HydrophobicContact CD1-CB 4.1Å; L1079-R1081 HydrophobicContact CD1-CG 4.32Å; R1081-E1084 IonicContact CZ-OE2 3.79Å; R1081-E1084 IonicContact NH1-OE2 2.68Å; R1081-E1084 PolarHBondContact NH1-OE2 3.34Å; R1081-E1084 IonicContact NH2-OE2 2.86Å; R1081-E1084 PolarHBondContact NH2-OE2 2.85Å; R1081-L1090 CarbonylContact O-C 3.57Å; R1081-L1090 WeakPolarHBondContact O-CA 3.26Å; R1081-S1091 PolarHBondContact N-O 2.91Å; R1081-S1091 PolarHBondContact O-N 3.4Å; R1081-S1093 PolarHBondContact NE-OG 3.25Å |
| 1082 | R | 94.2 | Very high | 93 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 27% | 0.268 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 144.2 | 169.1 | -164 | 167.1 | -174.8 | 80.2 | -12 | 110.4 | R1059 K1087 L1090 | R1059-R1082 WeakPolarHBondContact O-CB 3.37Å; R1059-R1082 PolarHBondContact O-N 2.9Å; R1082-K1087 PolarHBondContact NE-O 2.95Å; R1082-K1087 PolarHBondContact NH1-O 3.22Å; R1082-K1087 PolarHBondContact NH2-O 2.92Å; R1082-L1090 HydrophobicContact CB-CD2 4.4Å |
| 1083 | S | 93.2 | Very high | 93.3 | Very high | 8 Ų | 8 | 41 Ų | 41 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | | | trans | -76.7 | 132.4 | -179.8 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | T1085 S1086 E1089 | S1083-T1085 PolarHBondContact OG-OG1 3.27Å; S1083-T1085 VanDerWaalsContact OG-OG1 3.1Å; S1083-S1086 WeakPolarHBondContact CB-O 3.4Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.38Å; S1083-S1086 CarbonylContact O-C 3.57Å; S1083-S1086 PolarHBondContact OG-N 3.2Å; S1083-S1086 PolarHBondContact OG-OG 3.19Å; S1083-E1089 VanDerWaalsContact CB-O 3.3Å; S1083-E1089 WeakPolarHBondContact CB-O 3.44Å; S1083-E1089 PolarHBondContact N-O 3.26Å |
| 1084 | E | 91 | Very high | 93.4 | Very high | 103 Ų | 103 | 39.9 Ų | 39.9 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -72.9 | -35.7 | 175.8 | -71.6 | 146.6 | 131.5 | 0 | 0 | 112.3 | S1062 R1063 R1081 S1086 | S1062-E1084 VanDerWaalsContact CA-OE1 3.23Å; S1062-E1084 WeakPolarHBondContact CA-OE1 3.22Å; S1062-E1084 VanDerWaalsContact CB-OE1 3.32Å; S1062-E1084 WeakPolarHBondContact CB-OE1 3.36Å; R1063-E1084 WeakPolarHBondContact CB-OE2 3.29Å; R1063-E1084 PolarHBondContact N-OE1 3.01Å; R1063-E1084 PolarHBondContact N-OE2 2.82Å; R1063-E1084 VanDerWaalsContact N-OE2 3.15Å; R1081-E1084 IonicContact CZ-OE2 3.79Å; R1081-E1084 IonicContact NH1-OE2 2.68Å; R1081-E1084 PolarHBondContact NH1-OE2 3.34Å; R1081-E1084 IonicContact NH2-OE2 2.86Å; R1081-E1084 PolarHBondContact NH2-OE2 2.85Å; E1084-S1086 VanDerWaalsContact C-N 3.25Å; E1084-S1086 PolarHBondContact O-N 3.43Å |
| 1085 | T | 89.6 | Confident | 93.4 | Very high | 133 Ų | 133 | 37.5 Ų | 37.5 | 82% | 0.816 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -74.3 | -19.3 | 179.2 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | S1083 | S1083-T1085 PolarHBondContact OG-OG1 3.27Å; S1083-T1085 VanDerWaalsContact OG-OG1 3.1Å |
| 1086 | S | 87.2 | Confident | 93.4 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | | | trans | -155.2 | 93.6 | -166.4 | 37.2 | 0 | 0 | 0 | 0 | 110.9 | S1083 E1084 T1088 E1089 | S1083-S1086 WeakPolarHBondContact CB-O 3.4Å; S1083-S1086 WeakPolarHBondContact CB-OG 3.38Å; S1083-S1086 CarbonylContact O-C 3.57Å; S1083-S1086 PolarHBondContact OG-N 3.2Å; S1083-S1086 PolarHBondContact OG-OG 3.19Å; E1084-S1086 VanDerWaalsContact C-N 3.25Å; E1084-S1086 PolarHBondContact O-N 3.43Å; S1086-T1088 PolarHBondContact O-N 3.11Å; S1086-E1089 WeakPolarHBondContact CB-OE2 3.26Å; S1086-E1089 PolarHBondContact O-N 2.98Å; S1086-E1089 PolarHBondContact OG-OE2 2.62Å |
| 1087 | K | 84 | Confident | 93.2 | Very high | 169 Ų | 169 | 41.9 Ų | 41.9 | 74% | 0.735 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -19.7 | -177.5 | -65.1 | -177.8 | 179.9 | 179.6 | 0 | 114.4 | R1082 E1089 | R1082-K1087 PolarHBondContact NE-O 2.95Å; R1082-K1087 PolarHBondContact NH1-O 3.22Å; R1082-K1087 PolarHBondContact NH2-O 2.92Å; K1087-E1089 VanDerWaalsContact C-N 3.35Å |
| 1088 | T | 86.1 | Confident | 92.8 | Very high | 112 Ų | 112 | 47.3 Ų | 47.3 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.9 | 175.3 | 44.1 | 0 | 0 | 0 | 0 | 114 | S1086 | S1086-T1088 PolarHBondContact O-N 3.11Š|
| 1089 | E | 91.7 | Very high | 92.7 | Very high | 30 Ų | 30 | 50 Ų | 50 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | | | trans | -121.8 | 165.5 | -168.9 | -59.1 | -178 | 145.5 | 0 | 0 | 112.1 | S1083 S1086 K1087 K1104 | S1083-E1089 VanDerWaalsContact CB-O 3.3Å; S1083-E1089 WeakPolarHBondContact CB-O 3.44Å; S1083-E1089 PolarHBondContact N-O 3.26Å; S1086-E1089 WeakPolarHBondContact CB-OE2 3.26Å; S1086-E1089 PolarHBondContact O-N 2.98Å; S1086-E1089 PolarHBondContact OG-OE2 2.62Å; K1087-E1089 VanDerWaalsContact C-N 3.35Å; E1089-K1104 WeakPolarHBondContact OE1-CE 3.41Å; E1089-K1104 IonicContact OE1-NZ 3.06Å; E1089-K1104 PolarHBondContact OE1-NZ 3.25Å; E1089-K1104 WeakPolarHBondContact OE2-CD 3.34Å; E1089-K1104 WeakPolarHBondContact OE2-CE 3.28Å; E1089-K1104 IonicContact OE2-NZ 3.59Å; E1089-K1104 PolarHBondContact OE2-NZ 2.98Å |
| 1090 | L | 94.9 | Very high | 92.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 166.8 | 177.2 | -54.4 | 178.5 | 0 | 0 | 0 | 111 | L1051 F1057 V1080 R1081 R1082 I1105 V1126 | L1051-L1090 HydrophobicContact CD1-CD1 3.63Å; F1057-L1090 HydrophobicContact CE2-CD1 4.2Å; F1057-L1090 HydrophobicContact CE2-CD2 3.95Å; F1057-L1090 HydrophobicContact CZ-CD2 4.33Å; V1080-L1090 HydrophobicContact CG1-CB 4.06Å; V1080-L1090 HydrophobicContact CG1-CD1 4.22Å; R1081-L1090 CarbonylContact O-C 3.57Å; R1081-L1090 WeakPolarHBondContact O-CA 3.26Å; R1082-L1090 HydrophobicContact CB-CD2 4.4Å; L1090-I1105 HydrophobicContact CB-CB 4.09Å; L1090-I1105 HydrophobicContact CB-CD1 3.99Å; L1090-I1105 PolarHBondContact N-O 3.11Å; L1090-I1105 PolarHBondContact O-N 3.1Å; L1090-V1126 HydrophobicContact CD1-CG2 4.01Å |
| 1091 | S | 95.5 | Very high | 92.5 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 118.4 | 179.1 | -75.6 | 0 | 0 | 0 | 0 | 110.3 | V1080 R1081 M1103 | V1080-S1091 WeakPolarHBondContact CA-O 3.45Å; R1081-S1091 PolarHBondContact N-O 2.91Å; R1081-S1091 PolarHBondContact O-N 3.4Å; S1091-M1103 CarbonylContact C-O 3.57Å; S1091-M1103 WeakPolarHBondContact CA-O 3.28Å |
| 1092 | L | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122 | 168 | 173.3 | 55.2 | 0 | 0 | 0 | 108.4 | F1078 V1080 I1094 H1102 M1103 I1105 L1116 I1130 L1148 | F1078-L1092 HydrophobicContact CB-CD1 4.13Å; F1078-L1092 HydrophobicContact CD2-CD1 3.95Å; F1078-L1092 HydrophobicContact CG-CD1 4.45Å; V1080-L1092 HydrophobicContact CG2-CB 4.48Å; V1080-L1092 HydrophobicContact CG2-CD1 3.97Å; L1092-I1094 HydrophobicContact CD1-CD1 4.34Å; L1092-I1094 HydrophobicContact CD1-CG1 3.92Å; L1092-I1094 HydrophobicContact CD2-CD1 3.95Å; L1092-I1094 HydrophobicContact CD2-CG1 4.43Å; L1092-I1094 HydrophobicContact CG-CD1 3.78Å; L1092-I1094 HydrophobicContact CG-CG1 3.84Å; L1092-H1102 CarbonylContact O-C 3.52Å; L1092-H1102 WeakPolarHBondContact O-CA 3.39Å; L1092-M1103 HydrophobicContact CD2-CE 3.95Å; L1092-M1103 HydrophobicContact CG-CE 4.42Å; L1092-M1103 PolarHBondContact N-O 3.31Å; L1092-M1103 PolarHBondContact O-N 3.32Å; L1092-I1105 HydrophobicContact CB-CD1 3.98Å; L1092-I1105 HydrophobicContact CB-CG1 4.33Å; L1092-L1116 HydrophobicContact CB-CD1 4.23Å; L1092-L1116 HydrophobicContact CD2-CD1 3.99Å; L1092-L1116 HydrophobicContact CD2-CD2 4.17Å; L1092-I1130 HydrophobicContact CD1-CD1 3.86Å; L1092-I1130 HydrophobicContact CD2-CD1 4.04Å; L1092-L1148 HydrophobicContact CD1-CD1 4.49Å; L1092-L1148 HydrophobicContact CD1-CD2 4.38Å; L1092-L1148 HydrophobicContact CD2-CD1 4.05Å; L1092-L1148 HydrophobicContact CD2-CD2 4.36Å |
| 1093 | S | 96.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 126.6 | -179.4 | -51.1 | 0 | 0 | 0 | 0 | 108.9 | F1078 L1079 R1081 L1101 H1102 | F1078-S1093 CarbonylContact C-O 3.57Å; F1078-S1093 VanDerWaalsContact CA-O 3.24Å; F1078-S1093 WeakPolarHBondContact CA-O 3.36Å; L1079-S1093 PolarHBondContact N-O 2.68Å; L1079-S1093 PolarHBondContact O-N 2.86Å; R1081-S1093 PolarHBondContact NE-OG 3.25Å; S1093-L1101 CarbonylContact C-O 3.54Å; S1093-L1101 WeakPolarHBondContact CA-O 3.33Å; S1093-H1102 WeakPolarHBondContact CB-ND1 3.4Å; S1093-H1102 PolarHBondContact OG-CE1 3.49Å; S1093-H1102 PolarHBondContact OG-ND1 2.77Å |
| 1094 | I | 95.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 130.9 | -168 | -56 | 154.5 | 0 | 0 | 0 | 110.4 | S1077 F1078 L1092 R1096 V1100 L1101 M1103 L1138 V1146 L1148 | S1077-I1094 CarbonylContact O-C 3.6Å; S1077-I1094 WeakPolarHBondContact O-CA 3.49Å; F1078-I1094 HydrophobicContact CB-CB 4.5Å; F1078-I1094 HydrophobicContact CB-CG1 3.96Å; L1092-I1094 HydrophobicContact CD1-CD1 4.34Å; L1092-I1094 HydrophobicContact CD1-CG1 3.92Å; L1092-I1094 HydrophobicContact CD2-CD1 3.95Å; L1092-I1094 HydrophobicContact CD2-CG1 4.43Å; L1092-I1094 HydrophobicContact CG-CD1 3.78Å; L1092-I1094 HydrophobicContact CG-CG1 3.84Å; I1094-R1096 PolarHBondContact O-N 2.77Å; I1094-V1100 CarbonylContact O-C 3.53Å; I1094-V1100 WeakPolarHBondContact O-CA 3.5Å; I1094-L1101 HydrophobicContact CD1-CD2 4.4Å; I1094-L1101 PolarHBondContact N-O 3.27Å; I1094-L1101 PolarHBondContact O-N 3.48Å; I1094-M1103 HydrophobicContact CD1-CE 3.27Å; I1094-L1138 HydrophobicContact CD1-CD1 3.47Å; I1094-L1138 VanDerWaalsContact CD1-CD1 3.47Å; I1094-V1146 HydrophobicContact CG2-CG1 3.98Å; I1094-L1148 HydrophobicContact CD1-CD2 3.7Å; I1094-L1148 HydrophobicContact CG1-CD2 3.69Å; I1094-L1148 HydrophobicContact CG2-CD2 4.36Å |
| 1095 | K | 95.6 | Very high | 92.5 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 12% | 0.117 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 117.3 | 168 | -178.9 | 60.4 | 168.8 | 101.9 | 0 | 109.9 | L1070 T1073 G1076 S1077 E1097 V1100 | L1070-K1095 HydrophobicContact CB-CB 4.25Å; L1070-K1095 HydrophobicContact CD2-CB 4.22Å; L1070-K1095 VanDerWaalsContact O-CD 3.3Å; L1070-K1095 WeakPolarHBondContact O-CD 3.4Å; T1073-K1095 WeakPolarHBondContact O-CG 3.27Å; G1076-K1095 PolarHBondContact N-O 3.01Å; S1077-K1095 PolarHBondContact O-N 2.85Å; K1095-E1097 PolarHBondContact NZ-O 3.05Å; K1095-V1100 HydrophobicContact CD-CG2 4.42Å |
| 1096 | R | 93.4 | Very high | 92.7 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | | | trans | -95 | -173.4 | 163.6 | -54.6 | -160.3 | -69.9 | -157 | -5.3 | 108.9 | I1094 D1099 L1101 T1143 V1146 | I1094-R1096 PolarHBondContact O-N 2.77Å; R1096-D1099 WeakPolarHBondContact CB-OD1 3.4Å; R1096-D1099 IonicContact CZ-OD1 3.32Å; R1096-D1099 IonicContact CZ-OD2 2.73Å; R1096-D1099 PolarHBondContact N-O 3.32Å; R1096-D1099 IonicContact NE-OD1 2.62Å; R1096-D1099 PolarHBondContact NE-OD1 3.26Å; R1096-D1099 IonicContact NE-OD2 3.01Å; R1096-D1099 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1099 IonicContact NH2-OD1 3.9Å; R1096-D1099 PolarHBondContact NH2-OD1 3.39Å; R1096-D1099 VanDerWaalsContact NH2-OD1 3.12Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 2.9Å; R1096-L1101 HydrophobicContact CG-CB 4.01Å; R1096-T1143 PolarHBondContact NH1-OG1 3.21Å; R1096-V1146 HydrophobicContact CG-CG2 4.09Å |
| 1097 | E | 90.9 | Very high | 92.9 | Very high | 140 Ų | 140 | 49.6 Ų | 49.6 | 65% | 0.654 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -62.4 | -62.6 | 179.5 | -171.8 | 166.7 | -157.8 | 0 | 0 | 111.5 | K1095 | K1095-E1097 PolarHBondContact NZ-O 3.05Š|
| 1098 | S | 89.1 | Confident | 93.2 | Very high | 114 Ų | 114 | 43.1 Ų | 43.1 | 80% | 0.797 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -84.5 | -31.1 | -179.8 | 51.9 | 0 | 0 | 0 | 0 | 115 | | |
| 1099 | D | 93.2 | Very high | 93.3 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 34% | 0.337 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -140.7 | -170.7 | -167.4 | 72.5 | -0.6 | 0 | 0 | 0 | 114.3 | R1096 | R1096-D1099 WeakPolarHBondContact CB-OD1 3.4Å; R1096-D1099 IonicContact CZ-OD1 3.32Å; R1096-D1099 IonicContact CZ-OD2 2.73Å; R1096-D1099 PolarHBondContact N-O 3.32Å; R1096-D1099 IonicContact NE-OD1 2.62Å; R1096-D1099 PolarHBondContact NE-OD1 3.26Å; R1096-D1099 IonicContact NE-OD2 3.01Å; R1096-D1099 VanDerWaalsContact NH2-CG 3.32Å; R1096-D1099 IonicContact NH2-OD1 3.9Å; R1096-D1099 PolarHBondContact NH2-OD1 3.39Å; R1096-D1099 VanDerWaalsContact NH2-OD1 3.12Å; R1096-D1099 IonicContact NH2-OD2 2.65Å; R1096-D1099 PolarHBondContact NH2-OD2 2.9Å |
| 1100 | V | 94.8 | Very high | 93.1 | Very high | 21 Ų | 21 | 49.9 Ų | 49.9 | 13% | 0.127 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 118.4 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | E1067 L1070 I1094 K1095 | E1067-V1100 HydrophobicContact CG-CB 4.2Å; E1067-V1100 HydrophobicContact CG-CG1 4.19Å; L1070-V1100 HydrophobicContact CB-CG1 4.47Å; L1070-V1100 HydrophobicContact CB-CG2 4.03Å; L1070-V1100 HydrophobicContact CD1-CG1 3.75Å; I1094-V1100 CarbonylContact O-C 3.53Å; I1094-V1100 WeakPolarHBondContact O-CA 3.5Å; K1095-V1100 HydrophobicContact CD-CG2 4.42Å |
| 1101 | L | 93.8 | Very high | 92.8 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 13% | 0.126 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.3 | 175.7 | 175.4 | 63.7 | 0 | 0 | 0 | 110.1 | S1093 I1094 R1096 M1103 V1140 | S1093-L1101 CarbonylContact C-O 3.54Å; S1093-L1101 WeakPolarHBondContact CA-O 3.33Å; I1094-L1101 HydrophobicContact CD1-CD2 4.4Å; I1094-L1101 PolarHBondContact N-O 3.27Å; I1094-L1101 PolarHBondContact O-N 3.48Å; R1096-L1101 HydrophobicContact CG-CB 4.01Å; L1101-M1103 HydrophobicContact CD1-CG 4.38Å; L1101-M1103 HydrophobicContact CD2-CE 3.92Å; L1101-M1103 HydrophobicContact CD2-CG 4.25Å; L1101-M1103 HydrophobicContact CD2-SD 4.24Å; L1101-M1103 HydrophobicContact CG-CG 4.18Å; L1101-V1140 HydrophobicContact CD2-CG1 4.23Å; L1101-V1140 HydrophobicContact CD2-CG2 3.65Å |
| 1102 | H | 93.9 | Very high | 92.4 | Very high | 40 Ų | 40 | 54.3 Ų | 54.3 | 19% | 0.185 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128 | 167.5 | -57.5 | -77.9 | 0 | 0 | 0 | 110 | R1063 E1067 L1092 S1093 | R1063-H1102 PolarHBondContact NE-CD2 3.17Å; E1067-H1102 WeakPolarHBondContact CG-NE2 3.23Å; E1067-H1102 IonicContact OE1-CD2 3.36Å; E1067-H1102 IonicContact OE1-NE2 2.71Å; E1067-H1102 PolarHBondContact OE1-NE2 3.47Å; L1092-H1102 CarbonylContact O-C 3.52Å; L1092-H1102 WeakPolarHBondContact O-CA 3.39Å; S1093-H1102 WeakPolarHBondContact CB-ND1 3.4Å; S1093-H1102 PolarHBondContact OG-CE1 3.49Å; S1093-H1102 PolarHBondContact OG-ND1 2.77Å |
| 1103 | M | 93.3 | Very high | 92.2 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 15% | 0.148 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 131.6 | 172.5 | -71.7 | -179.1 | -76.3 | 0 | 0 | 110.3 | S1091 L1092 I1094 L1101 L1116 L1138 | S1091-M1103 CarbonylContact C-O 3.57Å; S1091-M1103 WeakPolarHBondContact CA-O 3.28Å; L1092-M1103 HydrophobicContact CD2-CE 3.95Å; L1092-M1103 HydrophobicContact CG-CE 4.42Å; L1092-M1103 PolarHBondContact N-O 3.31Å; L1092-M1103 PolarHBondContact O-N 3.32Å; I1094-M1103 HydrophobicContact CD1-CE 3.27Å; L1101-M1103 HydrophobicContact CD1-CG 4.38Å; L1101-M1103 HydrophobicContact CD2-CE 3.92Å; L1101-M1103 HydrophobicContact CD2-CG 4.25Å; L1101-M1103 HydrophobicContact CD2-SD 4.24Å; L1101-M1103 HydrophobicContact CG-CG 4.18Å; M1103-L1116 HydrophobicContact CB-CD1 3.7Å; M1103-L1116 HydrophobicContact CB-CG 4.32Å; M1103-L1116 HydrophobicContact CE-CD1 4.44Å; M1103-L1116 HydrophobicContact CE-CD2 4.04Å; M1103-L1116 HydrophobicContact CE-CG 4.48Å; M1103-L1116 HydrophobicContact SD-CD1 4.29Å; M1103-L1116 HydrophobicContact SD-CD2 4.01Å; M1103-L1116 HydrophobicContact SD-CG 4.01Å; M1103-L1138 HydrophobicContact CE-CD1 3.69Å; M1103-L1138 HydrophobicContact CE-CD2 3.83Å; M1103-L1138 HydrophobicContact CE-CG 4.32Å; M1103-L1138 HydrophobicContact SD-CD2 4.45Å |
| 1104 | K | 93.7 | Very high | 92 | Very high | 101 Ų | 101 | 56 Ų | 56 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 133.7 | 172.5 | 165.9 | 170.2 | 158.9 | 146.2 | 0 | 110.4 | E1089 G1117 | E1089-K1104 WeakPolarHBondContact OE1-CE 3.41Å; E1089-K1104 IonicContact OE1-NZ 3.06Å; E1089-K1104 PolarHBondContact OE1-NZ 3.25Å; E1089-K1104 WeakPolarHBondContact OE2-CD 3.34Å; E1089-K1104 WeakPolarHBondContact OE2-CE 3.28Å; E1089-K1104 IonicContact OE2-NZ 3.59Å; E1089-K1104 PolarHBondContact OE2-NZ 2.98Å; K1104-G1117 PolarHBondContact O-N 2.97Å |
| 1105 | I | 94.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 106.6 | 168.4 | -53.7 | 158.4 | 0 | 0 | 0 | 106.7 | V1080 L1090 L1092 Y1114 V1115 L1116 V1126 M1129 | V1080-I1105 HydrophobicContact CG1-CD1 3.82Å; V1080-I1105 HydrophobicContact CG2-CD1 4.32Å; L1090-I1105 HydrophobicContact CB-CB 4.09Å; L1090-I1105 HydrophobicContact CB-CD1 3.99Å; L1090-I1105 PolarHBondContact N-O 3.11Å; L1090-I1105 PolarHBondContact O-N 3.1Å; L1092-I1105 HydrophobicContact CB-CD1 3.98Å; L1092-I1105 HydrophobicContact CB-CG1 4.33Å; I1105-Y1114 HydrophobicContact CG2-CD1 4.2Å; I1105-V1115 WeakPolarHBondContact CA-O 3.2Å; I1105-L1116 HydrophobicContact CG1-CD1 3.77Å; I1105-V1126 HydrophobicContact CD1-CG1 4.25Å; I1105-M1129 HydrophobicContact CD1-CE 3.61Å; I1105-M1129 HydrophobicContact CG1-CE 3.71Å; I1105-M1129 HydrophobicContact CG2-CE 4.02Å; I1105-M1129 HydrophobicContact CG2-SD 4.24Å |
| 1106 | S | 93.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.161 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 153.4 | 174.4 | 41.5 | 0 | 0 | 0 | 0 | 110.6 | V1115 | S1106-V1115 PolarHBondContact N-O 3.07Å; S1106-V1115 PolarHBondContact O-N 3.05Å |
| 1107 | Q | 91.6 | Very high | 91.4 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.439 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.8 | 163.4 | -165 | 171 | 16.2 | 0 | 0 | 108.6 | G1112 G1113 | Q1107-G1112 WeakPolarHBondContact CG-O 3.31Å; Q1107-G1112 PolarHBondContact NE2-O 2.85Å; Q1107-G1113 CarbonylContact C-O 3.56Å; Q1107-G1113 WeakPolarHBondContact CA-O 3.24Å |
| 1108 | D | 89.9 | Confident | 90.7 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.171 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 123.3 | 172.4 | 168.2 | 25.7 | 0 | 0 | 0 | 109.6 | E1110 T1111 G1112 G1113 V1115 | D1108-E1110 VanDerWaalsContact C-N 3.29Å; D1108-E1110 PolarHBondContact O-N 2.89Å; D1108-E1110 PolarHBondContact OD1-N 3.44Å; D1108-T1111 VanDerWaalsContact OD2-CB 3.26Å; D1108-T1111 WeakPolarHBondContact OD2-CB 3.37Å; D1108-T1111 VanDerWaalsContact OD2-CG2 3.29Å; D1108-T1111 WeakPolarHBondContact OD2-CG2 3.44Å; D1108-T1111 PolarHBondContact OD2-N 3.31Å; D1108-T1111 PolarHBondContact OD2-OG1 3.17Å; D1108-G1112 WeakPolarHBondContact O-CA 3.2Å; D1108-G1112 PolarHBondContact O-N 3.28Å; D1108-G1113 PolarHBondContact N-O 3.29Å; D1108-V1115 HydrophobicContact CB-CG2 3.74Å |
| 1109 | P | 87.7 | Confident | 90.1 | Very high | 128 Ų | 128 | 58.4 Ų | 58.4 | 83% | 0.831 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -22.7 | 178.2 | 29.8 | -36.3 | 0 | 0 | 0 | 113.7 | | |
| 1110 | E | 87.2 | Confident | 89.8 | Confident | 157 Ų | 157 | 56.5 Ų | 56.5 | 73% | 0.734 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -49.6 | 179.7 | -67.7 | -178 | -169.1 | 0 | 0 | 111.7 | D1108 | D1108-E1110 VanDerWaalsContact C-N 3.29Å; D1108-E1110 PolarHBondContact O-N 2.89Å; D1108-E1110 PolarHBondContact OD1-N 3.44Å |
| 1111 | T | 88.6 | Confident | 89.6 | Confident | 83 Ų | 83 | 60.4 Ų | 60.4 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -11.2 | -176.7 | 67.6 | 0 | 0 | 0 | 0 | 115 | D1108 G1113 P1122 | D1108-T1111 VanDerWaalsContact OD2-CB 3.26Å; D1108-T1111 WeakPolarHBondContact OD2-CB 3.37Å; D1108-T1111 VanDerWaalsContact OD2-CG2 3.29Å; D1108-T1111 WeakPolarHBondContact OD2-CG2 3.44Å; D1108-T1111 PolarHBondContact OD2-N 3.31Å; D1108-T1111 PolarHBondContact OD2-OG1 3.17Å; T1111-G1113 PolarHBondContact O-N 2.98Å; T1111-G1113 PolarHBondContact OG1-N 2.81Å; T1111-P1122 HydrophobicContact CG2-CG 4.29Å; T1111-P1122 WeakPolarHBondContact OG1-CB 3.26Å |
| 1112 | G | 88.6 | Confident | 89.5 | Confident | 36 Ų | 36 | 62 Ų | 62 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | | | trans | 68.8 | 0.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q1107 D1108 | Q1107-G1112 WeakPolarHBondContact CG-O 3.31Å; Q1107-G1112 PolarHBondContact NE2-O 2.85Å; D1108-G1112 WeakPolarHBondContact O-CA 3.2Å; D1108-G1112 PolarHBondContact O-N 3.28Å |
| 1113 | G | 90.6 | Very high | 89.5 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 6% | 0.062 | 33% | 0.326 | C | S | . | . | | | trans | -81.2 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q1107 D1108 T1111 Y1123 | Q1107-G1113 CarbonylContact C-O 3.56Å; Q1107-G1113 WeakPolarHBondContact CA-O 3.24Å; D1108-G1113 PolarHBondContact N-O 3.29Å; T1111-G1113 PolarHBondContact O-N 2.98Å; T1111-G1113 PolarHBondContact OG1-N 2.81Å; G1113-Y1123 CarbonylContact C-O 3.53Å; G1113-Y1123 VanDerWaalsContact CA-O 3.31Å; G1113-Y1123 WeakPolarHBondContact CA-O 3.44Å |
| 1114 | Y | 93.2 | Very high | 89.4 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.4 | 178.1 | -58.4 | -90 | 0 | 0 | 0 | 111.1 | I1047 I1105 P1122 Y1123 V1126 | I1047-Y1114 WeakPolarHBondContact CD1-OH 3.41Å; I1047-Y1114 VanDerWaalsContact CG1-OH 3.26Å; I1047-Y1114 WeakPolarHBondContact CG1-OH 3.46Å; I1047-Y1114 HydrophobicContact CG2-CE1 4.3Å; I1047-Y1114 WeakPolarHBondContact CG2-OH 3.42Å; I1105-Y1114 HydrophobicContact CG2-CD1 4.2Å; Y1114-P1122 CarbonylContact O-C 3.55Å; Y1114-P1122 WeakPolarHBondContact O-CA 3.35Å; Y1114-Y1123 PolarHBondContact N-O 2.99Å; Y1114-Y1123 PolarHBondContact O-N 3.19Å; Y1114-V1126 HydrophobicContact CD1-CG2 3.56Å; Y1114-V1126 HydrophobicContact CD2-CG2 4.28Å; Y1114-V1126 HydrophobicContact CE1-CG2 3.73Å; Y1114-V1126 HydrophobicContact CE2-CG2 4.46Å; Y1114-V1126 HydrophobicContact CG-CG2 3.85Å |
| 1115 | V | 92.8 | Very high | 89.4 | Confident | 19 Ų | 19 | 60.8 Ų | 60.8 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.7 | -179.6 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | I1105 S1106 D1108 G1117 S1120 P1122 | I1105-V1115 WeakPolarHBondContact CA-O 3.2Å; S1106-V1115 PolarHBondContact N-O 3.07Å; S1106-V1115 PolarHBondContact O-N 3.05Å; D1108-V1115 HydrophobicContact CB-CG2 3.74Å; V1115-G1117 VanDerWaalsContact CG1-O 3.23Å; V1115-G1117 WeakPolarHBondContact CG1-O 3.27Å; V1115-S1120 WeakPolarHBondContact CA-OG 3.32Å; V1115-S1120 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1120 WeakPolarHBondContact CG1-OG 3.48Å; V1115-P1122 HydrophobicContact CG2-CB 4.19Å |
| 1116 | L | 92.1 | Very high | 89.4 | Confident | 12 Ų | 12 | 60.7 Ų | 60.7 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 97.7 | 177.8 | -170.7 | 65.9 | 0 | 0 | 0 | 109.7 | L1092 M1103 I1105 S1120 M1129 Y1133 L1138 | L1092-L1116 HydrophobicContact CB-CD1 4.23Å; L1092-L1116 HydrophobicContact CD2-CD1 3.99Å; L1092-L1116 HydrophobicContact CD2-CD2 4.17Å; M1103-L1116 HydrophobicContact CB-CD1 3.7Å; M1103-L1116 HydrophobicContact CB-CG 4.32Å; M1103-L1116 HydrophobicContact CE-CD1 4.44Å; M1103-L1116 HydrophobicContact CE-CD2 4.04Å; M1103-L1116 HydrophobicContact CE-CG 4.48Å; M1103-L1116 HydrophobicContact SD-CD1 4.29Å; M1103-L1116 HydrophobicContact SD-CD2 4.01Å; M1103-L1116 HydrophobicContact SD-CG 4.01Å; I1105-L1116 HydrophobicContact CG1-CD1 3.77Å; L1116-S1120 PolarHBondContact N-OG 3.07Å; L1116-M1129 HydrophobicContact CB-SD 3.83Å; L1116-M1129 HydrophobicContact CD1-CE 4.39Å; L1116-M1129 HydrophobicContact CD1-SD 4.37Å; L1116-Y1133 HydrophobicContact CB-CE2 4.41Å; L1116-Y1133 HydrophobicContact CD2-CD2 3.8Å; L1116-Y1133 HydrophobicContact CD2-CE2 3.51Å; L1116-L1138 HydrophobicContact CD2-CD2 3.62Å |
| 1117 | G | 86.4 | Confident | 89.4 | Confident | 32 Ų | 32 | 60.9 Ų | 60.9 | 33% | 0.33 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | -163 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1104 V1115 Y1119 | K1104-G1117 PolarHBondContact O-N 2.97Å; V1115-G1117 VanDerWaalsContact CG1-O 3.23Å; V1115-G1117 WeakPolarHBondContact CG1-O 3.27Å; G1117-Y1119 VanDerWaalsContact C-N 3.34Å; G1117-Y1119 PolarHBondContact O-N 3.17Å |
| 1118 | E | 77.1 | Confident | 89.5 | Confident | 156 Ų | 156 | 58.6 Ų | 58.6 | 73% | 0.729 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -11.7 | -173.1 | -64.3 | 174.2 | -175.2 | 0 | 0 | 115.4 | | |
| 1119 | Y | 76.5 | Confident | 89.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 53% | 0.533 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -130.8 | 5.3 | -162.5 | -60.1 | -71.1 | 0 | 0 | 0 | 115.6 | G1117 | G1117-Y1119 VanDerWaalsContact C-N 3.34Å; G1117-Y1119 PolarHBondContact O-N 3.17Å |
| 1120 | S | 86.6 | Confident | 90 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 16% | 0.161 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.7 | 160.5 | 171.4 | 89.2 | 0 | 0 | 0 | 0 | 111.5 | V1115 L1116 | V1115-S1120 WeakPolarHBondContact CA-OG 3.32Å; V1115-S1120 VanDerWaalsContact CG1-OG 3.23Å; V1115-S1120 WeakPolarHBondContact CG1-OG 3.48Å; L1116-S1120 PolarHBondContact N-OG 3.07Å |
| 1121 | Q | 90 | Very high | 90.4 | Very high | 104 Ų | 104 | 50.4 Ų | 50.4 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 154.4 | 157.2 | 57.2 | 177.1 | 73.6 | 0 | 0 | 110.1 | Y1123 | Q1121-Y1123 HydrophobicContact CG-CD2 4.43Å; Q1121-Y1123 HydrophobicContact CG-CE1 4.07Å; Q1121-Y1123 HydrophobicContact CG-CE2 3.79Å; Q1121-Y1123 VanDerWaalsContact O-CD2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CD2 3.35Å; Q1121-Y1123 VanDerWaalsContact O-CE2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CE2 3.5Å |
| 1122 | P | 92.7 | Very high | 90.6 | Very high | 56 Ų | 56 | 52 Ų | 52 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 147.8 | 164.4 | 28.4 | -33 | 0 | 0 | 0 | 111 | T1111 Y1114 V1115 | T1111-P1122 HydrophobicContact CG2-CG 4.29Å; T1111-P1122 WeakPolarHBondContact OG1-CB 3.26Å; Y1114-P1122 CarbonylContact O-C 3.55Å; Y1114-P1122 WeakPolarHBondContact O-CA 3.35Å; V1115-P1122 HydrophobicContact CG2-CB 4.19Å |
| 1123 | Y | 93.4 | Very high | 90.9 | Very high | 16 Ų | 16 | 51 Ų | 51 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -122.4 | 145 | 176.1 | -65.2 | -88.8 | 0 | 0 | 0 | 110.4 | G1113 Y1114 Q1121 S1125 M1129 R1132 Y1133 | G1113-Y1123 CarbonylContact C-O 3.53Å; G1113-Y1123 VanDerWaalsContact CA-O 3.31Å; G1113-Y1123 WeakPolarHBondContact CA-O 3.44Å; Y1114-Y1123 PolarHBondContact N-O 2.99Å; Y1114-Y1123 PolarHBondContact O-N 3.19Å; Q1121-Y1123 HydrophobicContact CG-CD2 4.43Å; Q1121-Y1123 HydrophobicContact CG-CE1 4.07Å; Q1121-Y1123 HydrophobicContact CG-CE2 3.79Å; Q1121-Y1123 VanDerWaalsContact O-CD2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CD2 3.35Å; Q1121-Y1123 VanDerWaalsContact O-CE2 3.28Å; Q1121-Y1123 WeakPolarHBondContact O-CE2 3.5Å; Y1123-S1125 PolarHBondContact O-N 3.23Å; Y1123-M1129 HydrophobicContact CD1-CB 4.16Å; Y1123-M1129 HydrophobicContact CD2-CB 3.67Å; Y1123-M1129 HydrophobicContact CD2-CG 3.62Å; Y1123-M1129 HydrophobicContact CD2-SD 4.3Å; Y1123-M1129 HydrophobicContact CE2-CB 4.19Å; Y1123-M1129 HydrophobicContact CE2-CG 3.78Å; Y1123-M1129 HydrophobicContact CG-CB 3.65Å; Y1123-M1129 HydrophobicContact CG-CG 4.15Å; Y1123-R1132 HydrophobicContact CE1-CB 3.9Å; Y1123-R1132 HydrophobicContact CE1-CG 4.04Å; Y1123-Y1133 HydrophobicContact CE2-CE2 4.04Å; Y1123-Y1133 PolarHBondContact OH-OH 3.49Å |
| 1124 | P | 92 | Very high | 91 | Very high | 113 Ų | 113 | 53 Ų | 53 | 73% | 0.734 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -69.8 | -19.6 | -178.4 | 28.5 | -35.8 | 0 | 0 | 0 | 113.6 | | |
| 1125 | S | 92.7 | Very high | 91 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 12% | 0.119 | 30% | 0.298 | C | S | . | . | | | trans | -150.7 | 156.5 | 171.2 | 76.6 | 0 | 0 | 0 | 0 | 111.4 | Y1123 S1127 S1128 M1129 | Y1123-S1125 PolarHBondContact O-N 3.23Å; S1125-S1127 PolarHBondContact O-N 2.99Å; S1125-S1127 PolarHBondContact OG-N 2.98Å; S1125-S1128 WeakPolarHBondContact O-CB 3.18Å; S1125-S1128 PolarHBondContact O-N 3.34Å; S1125-S1128 PolarHBondContact OG-N 3.07Å; S1125-S1128 PolarHBondContact OG-OG 2.95Å; S1125-M1129 PolarHBondContact O-N 3.15Å; S1125-M1129 VanDerWaalsContact O-N 3.11Å |
| 1126 | V | 93.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.8 | -40.3 | 170.5 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | L1051 W1056 V1080 L1090 I1105 Y1114 S1128 M1129 I1130 | L1051-V1126 HydrophobicContact CD1-CG2 4.15Å; L1051-V1126 HydrophobicContact CD2-CB 3.73Å; L1051-V1126 HydrophobicContact CD2-CG1 4.43Å; L1051-V1126 HydrophobicContact CD2-CG2 3.96Å; W1056-V1126 HydrophobicContact CH2-CB 4.44Å; W1056-V1126 HydrophobicContact CH2-CG1 3.97Å; W1056-V1126 HydrophobicContact CZ3-CG1 4.02Å; V1080-V1126 HydrophobicContact CG1-CG1 4.45Å; V1080-V1126 HydrophobicContact CG2-CG1 4.45Å; L1090-V1126 HydrophobicContact CD1-CG2 4.01Å; I1105-V1126 HydrophobicContact CD1-CG1 4.25Å; Y1114-V1126 HydrophobicContact CD1-CG2 3.56Å; Y1114-V1126 HydrophobicContact CD2-CG2 4.28Å; Y1114-V1126 HydrophobicContact CE1-CG2 3.73Å; Y1114-V1126 HydrophobicContact CE2-CG2 4.46Å; Y1114-V1126 HydrophobicContact CG-CG2 3.85Å; V1126-S1128 VanDerWaalsContact C-N 3.34Å; V1126-S1128 PolarHBondContact O-N 3.04Å; V1126-M1129 HydrophobicContact CG1-CE 3.82Å; V1126-M1129 WeakPolarHBondContact O-CB 3.19Å; V1126-M1129 PolarHBondContact O-N 3.06Å; V1126-M1129 VanDerWaalsContact O-N 3.14Å; V1126-I1130 HydrophobicContact CG1-CG1 4.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.4Å; V1126-I1130 PolarHBondContact O-N 2.97Å |
| 1127 | S | 94.5 | Very high | 90.9 | Very high | 28 Ų | 28 | 64.7 Ų | 64.7 | 20% | 0.196 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.5 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | S1125 M1129 I1130 Y1131 | S1125-S1127 PolarHBondContact O-N 2.99Å; S1125-S1127 PolarHBondContact OG-N 2.98Å; S1127-M1129 VanDerWaalsContact C-N 3.34Å; S1127-I1130 PolarHBondContact O-N 2.84Å; S1127-Y1131 VanDerWaalsContact O-CB 3.22Å; S1127-Y1131 WeakPolarHBondContact O-CB 3.31Å; S1127-Y1131 PolarHBondContact O-N 3.07Å |
| 1128 | S | 93.2 | Very high | 91 | Very high | 45 Ų | 45 | 63.3 Ų | 63.3 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.9 | -36.8 | 174.3 | -53 | 0 | 0 | 0 | 0 | 112.5 | S1125 V1126 R1132 | S1125-S1128 WeakPolarHBondContact O-CB 3.18Å; S1125-S1128 PolarHBondContact O-N 3.34Å; S1125-S1128 PolarHBondContact OG-N 3.07Å; S1125-S1128 PolarHBondContact OG-OG 2.95Å; V1126-S1128 VanDerWaalsContact C-N 3.34Å; V1126-S1128 PolarHBondContact O-N 3.04Å; S1128-R1132 PolarHBondContact O-N 3.47Å; S1128-R1132 VanDerWaalsContact O-N 3.12Å |
| 1129 | M | 94.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 175.6 | 177.9 | -170.7 | 77 | 0 | 0 | 111.6 | I1105 L1116 Y1123 S1125 V1126 S1127 Y1131 R1132 Y1133 | I1105-M1129 HydrophobicContact CD1-CE 3.61Å; I1105-M1129 HydrophobicContact CG1-CE 3.71Å; I1105-M1129 HydrophobicContact CG2-CE 4.02Å; I1105-M1129 HydrophobicContact CG2-SD 4.24Å; L1116-M1129 HydrophobicContact CB-SD 3.83Å; L1116-M1129 HydrophobicContact CD1-CE 4.39Å; L1116-M1129 HydrophobicContact CD1-SD 4.37Å; Y1123-M1129 HydrophobicContact CD1-CB 4.16Å; Y1123-M1129 HydrophobicContact CD2-CB 3.67Å; Y1123-M1129 HydrophobicContact CD2-CG 3.62Å; Y1123-M1129 HydrophobicContact CD2-SD 4.3Å; Y1123-M1129 HydrophobicContact CE2-CB 4.19Å; Y1123-M1129 HydrophobicContact CE2-CG 3.78Å; Y1123-M1129 HydrophobicContact CG-CB 3.65Å; Y1123-M1129 HydrophobicContact CG-CG 4.15Å; S1125-M1129 PolarHBondContact O-N 3.15Å; S1125-M1129 VanDerWaalsContact O-N 3.11Å; V1126-M1129 HydrophobicContact CG1-CE 3.82Å; V1126-M1129 WeakPolarHBondContact O-CB 3.19Å; V1126-M1129 PolarHBondContact O-N 3.06Å; V1126-M1129 VanDerWaalsContact O-N 3.14Å; S1127-M1129 VanDerWaalsContact C-N 3.34Å; M1129-Y1131 PolarHBondContact O-N 3.33Å; M1129-R1132 WeakPolarHBondContact O-CB 3.44Å; M1129-R1132 PolarHBondContact O-N 2.79Å; M1129-R1132 VanDerWaalsContact O-N 3.09Å; M1129-Y1133 HydrophobicContact CG-CD2 3.95Å; M1129-Y1133 HydrophobicContact CG-CE2 3.83Å; M1129-Y1133 VanDerWaalsContact O-CD2 3.23Å; M1129-Y1133 WeakPolarHBondContact O-CD2 3.48Å; M1129-Y1133 PolarHBondContact O-N 3.07Å; M1129-Y1133 VanDerWaalsContact O-N 3.12Å |
| 1130 | I | 94.9 | Very high | 91.3 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.7 | -65.5 | -64 | 0 | 0 | 0 | 110.7 | W1056 F1078 V1080 L1092 V1126 S1127 R1132 Y1133 S1134 L1148 | W1056-I1130 HydrophobicContact CH2-CG1 4.13Å; W1056-I1130 HydrophobicContact CZ2-CG1 4.44Å; W1056-I1130 HydrophobicContact CZ3-CG1 4.2Å; F1078-I1130 HydrophobicContact CD2-CD1 4.42Å; F1078-I1130 HydrophobicContact CE2-CD1 4.23Å; F1078-I1130 HydrophobicContact CE2-CG2 3.56Å; F1078-I1130 HydrophobicContact CZ-CG2 3.71Å; V1080-I1130 HydrophobicContact CG2-CD1 3.81Å; V1080-I1130 HydrophobicContact CG2-CG1 4.31Å; L1092-I1130 HydrophobicContact CD1-CD1 3.86Å; L1092-I1130 HydrophobicContact CD2-CD1 4.04Å; V1126-I1130 HydrophobicContact CG1-CG1 4.26Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.4Å; V1126-I1130 PolarHBondContact O-N 2.97Å; S1127-I1130 PolarHBondContact O-N 2.84Å; I1130-R1132 PolarHBondContact O-N 3.32Å; I1130-Y1133 PolarHBondContact O-N 2.93Å; I1130-Y1133 VanDerWaalsContact O-N 3.13Å; I1130-S1134 PolarHBondContact O-N 3.41Å; I1130-L1148 HydrophobicContact CD1-CD1 3.67Å; I1130-L1148 HydrophobicContact CG2-CD1 4.25Å |
| 1131 | Y | 94 | Very high | 90.9 | Very high | 137 Ų | 137 | 64.4 Ų | 64.4 | 54% | 0.537 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.2 | -27.8 | 174.8 | 176.6 | -91.5 | 0 | 0 | 0 | 113.6 | S1127 M1129 S1134 R1135 | S1127-Y1131 VanDerWaalsContact O-CB 3.22Å; S1127-Y1131 WeakPolarHBondContact O-CB 3.31Å; S1127-Y1131 PolarHBondContact O-N 3.07Å; M1129-Y1131 PolarHBondContact O-N 3.33Å; Y1131-S1134 PolarHBondContact O-OG 2.98Å; Y1131-S1134 VanDerWaalsContact O-OG 3.13Å; Y1131-R1135 VanDerWaalsContact CE2-NH2 3.3Å; Y1131-R1135 VanDerWaalsContact CZ-CZ 3.45Å; Y1131-R1135 VanDerWaalsContact CZ-NH2 3.33Å; Y1131-R1135 VanDerWaalsContact OH-CZ 3.29Å; Y1131-R1135 PolarHBondContact OH-NH2 2.93Å; Y1131-R1135 VanDerWaalsContact OH-NH2 3.09Å |
| 1132 | R | 93.5 | Very high | 90.1 | Very high | 115 Ų | 115 | 63.7 Ų | 63.7 | 43% | 0.434 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -75.3 | -41.7 | 173.6 | -177.4 | 58 | -174.8 | -101 | -1.8 | 111.8 | Y1123 S1128 M1129 I1130 R1135 T1136 | Y1123-R1132 HydrophobicContact CE1-CB 3.9Å; Y1123-R1132 HydrophobicContact CE1-CG 4.04Å; S1128-R1132 PolarHBondContact O-N 3.47Å; S1128-R1132 VanDerWaalsContact O-N 3.12Å; M1129-R1132 WeakPolarHBondContact O-CB 3.44Å; M1129-R1132 PolarHBondContact O-N 2.79Å; M1129-R1132 VanDerWaalsContact O-N 3.09Å; I1130-R1132 PolarHBondContact O-N 3.32Å; R1132-R1135 PolarHBondContact O-N 3.15Å; R1132-T1136 WeakPolarHBondContact CD-OG1 3.4Å; R1132-T1136 PolarHBondContact NE-OG1 3.08Å; R1132-T1136 VanDerWaalsContact O-CB 3.27Å; R1132-T1136 WeakPolarHBondContact O-CB 3.27Å; R1132-T1136 PolarHBondContact O-N 3.15Å; R1132-T1136 PolarHBondContact O-OG1 3.31Å |
| 1133 | Y | 93.8 | Very high | 89.3 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -86.6 | -5.9 | -176.4 | -65.9 | -61.5 | 0 | 0 | 0 | 115 | L1116 Y1123 M1129 I1130 R1135 T1136 L1138 L1148 | L1116-Y1133 HydrophobicContact CB-CE2 4.41Å; L1116-Y1133 HydrophobicContact CD2-CD2 3.8Å; L1116-Y1133 HydrophobicContact CD2-CE2 3.51Å; Y1123-Y1133 HydrophobicContact CE2-CE2 4.04Å; Y1123-Y1133 PolarHBondContact OH-OH 3.49Å; M1129-Y1133 HydrophobicContact CG-CD2 3.95Å; M1129-Y1133 HydrophobicContact CG-CE2 3.83Å; M1129-Y1133 VanDerWaalsContact O-CD2 3.23Å; M1129-Y1133 WeakPolarHBondContact O-CD2 3.48Å; M1129-Y1133 PolarHBondContact O-N 3.07Å; M1129-Y1133 VanDerWaalsContact O-N 3.12Å; I1130-Y1133 PolarHBondContact O-N 2.93Å; I1130-Y1133 VanDerWaalsContact O-N 3.13Å; Y1133-R1135 VanDerWaalsContact C-N 3.28Å; Y1133-T1136 CarbonylContact C-O 3.59Å; Y1133-T1136 WeakPolarHBondContact CA-O 3.34Å; Y1133-L1138 HydrophobicContact CD1-CD2 3.44Å; Y1133-L1138 VanDerWaalsContact CD1-CD2 3.44Å; Y1133-L1138 HydrophobicContact CD1-CG 4.05Å; Y1133-L1138 HydrophobicContact CD2-CD2 3.96Å; Y1133-L1138 HydrophobicContact CE1-CD2 3.85Å; Y1133-L1138 HydrophobicContact CE2-CD2 4.32Å; Y1133-L1138 HydrophobicContact CG-CD2 3.5Å; Y1133-L1138 HydrophobicContact CG-CG 4.22Å; Y1133-L1148 PolarHBondContact O-N 3.17Å |
| 1134 | S | 94 | Very high | 88.8 | Confident | 47 Ų | 47 | 66.6 Ų | 66.6 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -20.5 | 160.9 | 62.3 | 0 | 0 | 0 | 0 | 113 | I1130 Y1131 L1148 | I1130-S1134 PolarHBondContact O-N 3.41Å; Y1131-S1134 PolarHBondContact O-OG 2.98Å; Y1131-S1134 VanDerWaalsContact O-OG 3.13Å; S1134-L1148 VanDerWaalsContact CA-O 3.24Å; S1134-L1148 WeakPolarHBondContact CA-O 3.4Å; S1134-L1148 WeakPolarHBondContact CB-O 3.18Å |
| 1135 | R | 93 | Very high | 88.5 | Confident | 168 Ų | 168 | 64.7 Ų | 64.7 | 63% | 0.634 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -23 | 179.1 | -58 | 176.8 | -176.6 | -131.6 | -9.5 | 113.8 | Y1131 R1132 Y1133 | Y1131-R1135 VanDerWaalsContact CE2-NH2 3.3Å; Y1131-R1135 VanDerWaalsContact CZ-CZ 3.45Å; Y1131-R1135 VanDerWaalsContact CZ-NH2 3.33Å; Y1131-R1135 VanDerWaalsContact OH-CZ 3.29Å; Y1131-R1135 PolarHBondContact OH-NH2 2.93Å; Y1131-R1135 VanDerWaalsContact OH-NH2 3.09Å; R1132-R1135 PolarHBondContact O-N 3.15Å; Y1133-R1135 VanDerWaalsContact C-N 3.28Å |
| 1136 | T | 91.5 | Very high | 88.5 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -120.2 | 128.2 | -175.2 | -40.6 | 0 | 0 | 0 | 0 | 109.1 | R1132 Y1133 L1138 L1147 | R1132-T1136 WeakPolarHBondContact CD-OG1 3.4Å; R1132-T1136 PolarHBondContact NE-OG1 3.08Å; R1132-T1136 VanDerWaalsContact O-CB 3.27Å; R1132-T1136 WeakPolarHBondContact O-CB 3.27Å; R1132-T1136 PolarHBondContact O-N 3.15Å; R1132-T1136 PolarHBondContact O-OG1 3.31Å; Y1133-T1136 CarbonylContact C-O 3.59Å; Y1133-T1136 WeakPolarHBondContact CA-O 3.34Å; T1136-L1138 PolarHBondContact O-N 3.34Å; T1136-L1147 VanDerWaalsContact C-CD2 3.43Å |
| 1137 | L | 90.7 | Very high | 88.4 | Confident | 92 Ų | 92 | 66.5 Ų | 66.5 | 48% | 0.482 | 36% | 0.357 | S | S | . | . | | | trans | -54.1 | 134.9 | 173.1 | -76.9 | 165.6 | 0 | 0 | 0 | 111 | P1145 L1147 | L1137-P1145 HydrophobicContact CB-CB 4.19Å; L1137-P1145 HydrophobicContact CD1-CB 4.48Å; L1137-P1145 HydrophobicContact CD1-CG 4.35Å; L1137-P1145 HydrophobicContact CD2-CB 4.01Å; L1137-P1145 HydrophobicContact CD2-CG 4.26Å; L1137-P1145 WeakPolarHBondContact CD2-O 3.3Å; L1137-P1145 HydrophobicContact CG-CB 4.46Å; L1137-L1147 HydrophobicContact CD2-CD2 4.39Å; L1137-L1147 HydrophobicContact CD2-CG 3.84Å; L1137-L1147 HydrophobicContact CG-CD2 4.34Å; L1137-L1147 HydrophobicContact CG-CG 4.28Å |
| 1138 | L | 88.7 | Confident | 88.5 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | | | trans | -68.4 | 126 | 176.5 | -78.8 | 162.7 | 0 | 0 | 0 | 110.8 | I1094 M1103 L1116 Y1133 T1136 V1140 V1146 L1148 | I1094-L1138 HydrophobicContact CD1-CD1 3.47Å; I1094-L1138 VanDerWaalsContact CD1-CD1 3.47Å; M1103-L1138 HydrophobicContact CE-CD1 3.69Å; M1103-L1138 HydrophobicContact CE-CD2 3.83Å; M1103-L1138 HydrophobicContact CE-CG 4.32Å; M1103-L1138 HydrophobicContact SD-CD2 4.45Å; L1116-L1138 HydrophobicContact CD2-CD2 3.62Å; Y1133-L1138 HydrophobicContact CD1-CD2 3.44Å; Y1133-L1138 VanDerWaalsContact CD1-CD2 3.44Å; Y1133-L1138 HydrophobicContact CD1-CG 4.05Å; Y1133-L1138 HydrophobicContact CD2-CD2 3.96Å; Y1133-L1138 HydrophobicContact CE1-CD2 3.85Å; Y1133-L1138 HydrophobicContact CE2-CD2 4.32Å; Y1133-L1138 HydrophobicContact CG-CD2 3.5Å; Y1133-L1138 HydrophobicContact CG-CG 4.22Å; T1136-L1138 PolarHBondContact O-N 3.34Å; L1138-V1140 HydrophobicContact CB-CG2 3.99Å; L1138-V1140 PolarHBondContact O-N 3.24Å; L1138-V1146 WeakPolarHBondContact CB-O 3.38Å; L1138-V1146 PolarHBondContact N-O 3.3Å; L1138-L1148 HydrophobicContact CD1-CD2 3.84Å; L1138-L1148 HydrophobicContact CD1-CG 4.26Å |
| 1139 | P | 78.9 | Confident | 88.5 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 69% | 0.688 | 36% | 0.364 | S | S | * | . | | | trans | -81.2 | 56.3 | -175.3 | 34.7 | -37.2 | 0 | 0 | 0 | 112.3 | | |
| 1140 | V | 82.2 | Confident | 88.5 | Confident | 38 Ų | 38 | 75.2 Ų | 75.2 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | | | trans | -78.1 | 124.7 | 178 | -167 | 0 | 0 | 0 | 0 | 109.1 | L1101 L1138 T1143 | L1101-V1140 HydrophobicContact CD2-CG1 4.23Å; L1101-V1140 HydrophobicContact CD2-CG2 3.65Å; L1138-V1140 HydrophobicContact CB-CG2 3.99Å; L1138-V1140 PolarHBondContact O-N 3.24Å; V1140-T1143 WeakPolarHBondContact CG1-OG1 3.29Å |
| 1141 | R | 76.3 | Confident | 88.5 | Confident | 194 Ų | 194 | 78.1 Ų | 78.1 | 73% | 0.732 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | 138.7 | 179.8 | -65.4 | -173.8 | -175.8 | 164.2 | 7.6 | 111 | T1143 | R1141-T1143 VanDerWaalsContact C-N 3.33Å; R1141-T1143 PolarHBondContact O-N 3.46Å |
| 1142 | G | 74.4 | Confident | 88.6 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 92% | 0.918 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 6.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1143 | T | 76 | Confident | 88.5 | Confident | 56 Ų | 56 | 70.2 Ų | 70.2 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -137.4 | 165.4 | 179.9 | 63.4 | 0 | 0 | 0 | 0 | 111.5 | R1096 V1140 R1141 | R1096-T1143 PolarHBondContact NH1-OG1 3.21Å; V1140-T1143 WeakPolarHBondContact CG1-OG1 3.29Å; R1141-T1143 VanDerWaalsContact C-N 3.33Å; R1141-T1143 PolarHBondContact O-N 3.46Å |
| 1144 | T | 82.9 | Confident | 88.3 | Confident | 77 Ų | 77 | 74.9 Ų | 74.9 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | | | trans | -55 | 132.4 | 171.2 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1145 | P | 86.1 | Confident | 87.3 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | | | trans | -78.5 | 139.9 | -179.8 | 32.6 | -35.1 | 0 | 0 | 0 | 110.1 | L1137 | L1137-P1145 HydrophobicContact CB-CB 4.19Å; L1137-P1145 HydrophobicContact CD1-CB 4.48Å; L1137-P1145 HydrophobicContact CD1-CG 4.35Å; L1137-P1145 HydrophobicContact CD2-CB 4.01Å; L1137-P1145 HydrophobicContact CD2-CG 4.26Å; L1137-P1145 WeakPolarHBondContact CD2-O 3.3Å; L1137-P1145 HydrophobicContact CG-CB 4.46Å |
| 1146 | V | 90.7 | Very high | 85.3 | Confident | 11 Ų | 11 | 74.1 Ų | 74.1 | 7% | 0.067 | 41% | 0.414 | C | S | . | . | | | trans | -124.3 | 143.8 | -170.4 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | I1094 R1096 L1138 | I1094-V1146 HydrophobicContact CG2-CG1 3.98Å; R1096-V1146 HydrophobicContact CG-CG2 4.09Å; L1138-V1146 WeakPolarHBondContact CB-O 3.38Å; L1138-V1146 PolarHBondContact N-O 3.3Å |
| 1147 | L | 93.4 | Very high | 82.6 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | | | trans | -97.2 | 142.3 | 169.8 | -74.3 | 167.3 | 0 | 0 | 0 | 110.3 | G1076 T1136 L1137 R1149 | G1076-L1147 VanDerWaalsContact CA-O 3.27Å; G1076-L1147 WeakPolarHBondContact CA-O 3.35Å; T1136-L1147 VanDerWaalsContact C-CD2 3.43Å; L1137-L1147 HydrophobicContact CD2-CD2 4.39Å; L1137-L1147 HydrophobicContact CD2-CG 3.84Å; L1137-L1147 HydrophobicContact CG-CD2 4.34Å; L1137-L1147 HydrophobicContact CG-CG 4.28Å; L1147-R1149 HydrophobicContact CB-CG 4.1Å; L1147-R1149 PolarHBondContact O-N 3.03Å |
| 1148 | L | 95.3 | Very high | 79.8 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.01 | 45% | 0.45 | C | S | . | . | | | trans | -76.6 | 86.7 | 171.5 | -58.4 | -174.6 | 0 | 0 | 0 | 110.1 | F1078 L1092 I1094 I1130 Y1133 S1134 L1138 | F1078-L1148 HydrophobicContact CB-CD2 3.88Å; F1078-L1148 HydrophobicContact CD1-CB 3.71Å; F1078-L1148 HydrophobicContact CD1-CD2 4.16Å; F1078-L1148 HydrophobicContact CD1-CG 4.44Å; F1078-L1148 HydrophobicContact CD2-CD1 4.46Å; F1078-L1148 HydrophobicContact CD2-CD2 4.47Å; F1078-L1148 HydrophobicContact CE1-CB 3.72Å; F1078-L1148 HydrophobicContact CG-CB 4.19Å; F1078-L1148 HydrophobicContact CG-CD2 3.91Å; F1078-L1148 HydrophobicContact CG-CG 4.47Å; F1078-L1148 HydrophobicContact CZ-CB 4.23Å; L1092-L1148 HydrophobicContact CD1-CD1 4.49Å; L1092-L1148 HydrophobicContact CD1-CD2 4.38Å; L1092-L1148 HydrophobicContact CD2-CD1 4.05Å; L1092-L1148 HydrophobicContact CD2-CD2 4.36Å; I1094-L1148 HydrophobicContact CD1-CD2 3.7Å; I1094-L1148 HydrophobicContact CG1-CD2 3.69Å; I1094-L1148 HydrophobicContact CG2-CD2 4.36Å; I1130-L1148 HydrophobicContact CD1-CD1 3.67Å; I1130-L1148 HydrophobicContact CG2-CD1 4.25Å; Y1133-L1148 PolarHBondContact O-N 3.17Å; S1134-L1148 VanDerWaalsContact CA-O 3.24Å; S1134-L1148 WeakPolarHBondContact CA-O 3.4Å; S1134-L1148 WeakPolarHBondContact CB-O 3.18Å; L1138-L1148 HydrophobicContact CD1-CD2 3.84Å; L1138-L1148 HydrophobicContact CD1-CG 4.26Å |
| 1149 | R | 93.3 | Very high | 76.9 | Confident | 168 Ų | 168 | 93.4 Ų | 93.4 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | | | trans | -91.1 | -48.4 | -174.4 | -77.5 | -175.7 | 164.2 | -169.4 | -5.5 | 113.7 | G1076 L1147 P1151 | G1076-R1149 PolarHBondContact O-N 2.96Å; L1147-R1149 HydrophobicContact CB-CG 4.1Å; L1147-R1149 PolarHBondContact O-N 3.03Å; R1149-P1151 WeakPolarHBondContact O-CD 3.5Å |
| 1150 | F | 95 | Very high | 76.8 | Confident | 85 Ų | 85 | 92.8 Ų | 92.8 | 37% | 0.373 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 99.7 | -166.6 | -48 | -73.4 | 0 | 0 | 0 | 111.3 | P1074 G1076 S1077 F1078 I1152 | P1074-F1150 HydrophobicContact CB-CD2 4.28Å; P1074-F1150 HydrophobicContact CB-CE2 4.05Å; P1074-F1150 HydrophobicContact CG-CD2 3.7Å; P1074-F1150 HydrophobicContact CG-CE2 3.83Å; P1074-F1150 HydrophobicContact CG-CG 4.26Å; P1074-F1150 HydrophobicContact CG-CZ 4.48Å; G1076-F1150 PolarHBondContact O-N 3.25Å; G1076-F1150 VanDerWaalsContact O-N 3.12Å; S1077-F1150 CarbonylContact C-O 3.44Å; S1077-F1150 VanDerWaalsContact CA-O 3.24Å; S1077-F1150 WeakPolarHBondContact CA-O 3.46Å; F1078-F1150 WeakPolarHBondContact CD1-O 3.27Å; F1078-F1150 PolarHBondContact N-O 3.26Å; F1150-I1152 PolarHBondContact O-N 3.44Å |
| 1151 | P | 95.6 | Very high | 76.6 | Confident | 70 Ų | 70 | 95.7 Ų | 95.7 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.5 | 176.2 | 25.7 | -31.6 | 0 | 0 | 0 | 110.6 | W1056 F1078 R1149 S1153 | W1056-P1151 HydrophobicContact CB-CB 3.84Å; W1056-P1151 HydrophobicContact CG-CB 4.38Å; F1078-P1151 HydrophobicContact CE1-CB 4.02Å; F1078-P1151 HydrophobicContact CE2-CB 4.38Å; F1078-P1151 HydrophobicContact CZ-CB 3.77Å; R1149-P1151 WeakPolarHBondContact O-CD 3.5Å; P1151-S1153 PolarHBondContact O-N 3Å |
| 1152 | I | 94.9 | Very high | 76.6 | Confident | 35 Ų | 35 | 90.2 Ų | 90.2 | 18% | 0.179 | 50% | 0.5 | C | S | . | . | | | trans | -82.4 | 111.3 | 176.1 | -59.3 | -54.4 | 0 | 0 | 0 | 109.4 | H1058 L1070 T1073 F1078 L1079 F1150 | H1058-I1152 PolarHBondContact NE2-O 3.34Å; L1070-I1152 HydrophobicContact CD2-CG1 3.89Å; T1073-I1152 HydrophobicContact CG2-CD1 3.79Å; F1078-I1152 PolarHBondContact O-N 2.91Å; L1079-I1152 HydrophobicContact CB-CB 4.41Å; L1079-I1152 HydrophobicContact CD2-CB 4.49Å; L1079-I1152 HydrophobicContact CD2-CG2 4.45Å; F1150-I1152 PolarHBondContact O-N 3.44Å |
| 1153 | S | 91.9 | Very high | 76.7 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 36% | 0.357 | 48% | 0.476 | S | S | . | . | | | trans | -62.2 | 136.1 | -179.5 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | L1055 H1058 P1151 I1155 | L1055-S1153 CarbonylContact O-C 3.52Å; L1055-S1153 WeakPolarHBondContact O-CA 3.43Å; H1058-S1153 PolarHBondContact CE1-O 3.24Å; P1151-S1153 PolarHBondContact O-N 3Å; S1153-I1155 PolarHBondContact O-N 3.37Å |
| 1154 | R | 88.7 | Confident | 76.7 | Confident | 114 Ų | 114 | 92.4 Ų | 92.4 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | | | trans | -71.8 | 76.2 | 163.3 | -171.7 | -163.4 | 179.4 | -147.7 | -2.3 | 109.1 | L1055 F1057 H1058 A1156 | L1055-R1154 PolarHBondContact O-N 3.18Å; F1057-R1154 WeakPolarHBondContact O-CD 3.43Å; H1058-R1154 WeakPolarHBondContact CE1-CA 3.21Å; H1058-R1154 PolarHBondContact CE1-N 3.15Å; H1058-R1154 PolarHBondContact NE2-N 3.19Å; R1154-A1156 PolarHBondContact O-N 2.96Å |
| 1155 | I | 73.9 | Confident | 76.3 | Confident | 109 Ų | 109 | 93.5 Ų | 93.5 | 56% | 0.559 | 49% | 0.485 | S | S | * | . | | | trans | -58.5 | 127.9 | 169.6 | -58 | 175 | 0 | 0 | 0 | 107.5 | S1153 F1157 | S1153-I1155 PolarHBondContact O-N 3.37Å; I1155-F1157 HydrophobicContact CB-CD2 3.96Å; I1155-F1157 HydrophobicContact CB-CE2 3.83Å; I1155-F1157 HydrophobicContact CD1-CE2 4.27Å; I1155-F1157 HydrophobicContact CG2-CD2 3.7Å; I1155-F1157 HydrophobicContact CG2-CE2 3.45Å; I1155-F1157 VanDerWaalsContact CG2-CE2 3.45Å; I1155-F1157 HydrophobicContact CG2-CG 4.39Å; I1155-F1157 HydrophobicContact CG2-CZ 3.94Å; I1155-F1157 PolarHBondContact O-N 2.59Å |
| 1156 | A | 50.4 | Low | 75.6 | Confident | 90 Ų | 90 | 94.9 Ų | 94.9 | 74% | 0.744 | 49% | 0.485 | S | S | * | . | | | trans | -77.2 | 68.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1154 S1158 | R1154-A1156 PolarHBondContact O-N 2.96Å; A1156-S1158 PolarHBondContact O-N 2.9Å |
| 1157 | F | 35.3 | Very low | 74.5 | Confident | 176 Ų | 176 | 101.3 Ų | 101.3 | 77% | 0.772 | 52% | 0.518 | S | S | * | . | | | trans | -72.7 | 71.5 | 161.6 | -68.9 | -71.6 | 0 | 0 | 0 | 109.4 | I1155 H1159 | I1155-F1157 HydrophobicContact CB-CD2 3.96Å; I1155-F1157 HydrophobicContact CB-CE2 3.83Å; I1155-F1157 HydrophobicContact CD1-CE2 4.27Å; I1155-F1157 HydrophobicContact CG2-CD2 3.7Å; I1155-F1157 HydrophobicContact CG2-CE2 3.45Å; I1155-F1157 VanDerWaalsContact CG2-CE2 3.45Å; I1155-F1157 HydrophobicContact CG2-CG 4.39Å; I1155-F1157 HydrophobicContact CG2-CZ 3.94Å; I1155-F1157 PolarHBondContact O-N 2.59Å; F1157-H1159 PolarHBondContact O-N 3.43Å |
| 1158 | S | 31.6 | Very low | 72.9 | Confident | 109 Ų | 109 | 106 Ų | 106 | 76% | 0.762 | 54% | 0.541 | S | S | * | . | | | trans | -72.2 | 114.8 | 160.1 | 51.6 | 0 | 0 | 0 | 0 | 108.3 | A1156 | A1156-S1158 PolarHBondContact O-N 2.9Š|
| 1159 | H | 28.8 | Very low | 70.9 | Confident | 263 Ų | 263 | 115.5 Ų | 115.5 | 100% | 1.218 | 59% | 0.589 | S | S | * | * | | | trans | -73.2 | 0 | 159 | -102.1 | -66.8 | 0 | 0 | 0 | 110.7 | F1157 | F1157-H1159 PolarHBondContact O-N 3.43Š|