| 1 | M | 49.8 | Very low | 38.9 | Very low | 231 Ų | 231 | 142.9 Ų | 142.9 | 100% | 1.138 | 82% | 0.817 | S | S | * | * | | | | 0 | 110 | 0 | -73.1 | 175 | -165.4 | 0 | 0 | 107.1 | | |
| 2 | T | 35.4 | Very low | 38.6 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -117.1 | 115.2 | -176.3 | 27.4 | 0 | 0 | 0 | 0 | 107.8 | F4 | T2-F4 HydrophobicContact CG2-CE2 4.31Š|
| 3 | F | 39 | Very low | 38.8 | Very low | 191 Ų | 191 | 142.3 Ų | 142.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -103.3 | 112.3 | 167.5 | -72.1 | -86.6 | 0 | 0 | 0 | 107.4 | | |
| 4 | F | 43.4 | Very low | 38.8 | Very low | 181 Ų | 181 | 138 Ų | 138 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | | | trans | -117.6 | 115.1 | 162.9 | -76.9 | -83.2 | 0 | 0 | 0 | 106.2 | T2 | T2-F4 HydrophobicContact CG2-CE2 4.31Š|
| 5 | S | 36.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -110.4 | 106 | 167.2 | -67.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 6 | T | 37.8 | Very low | 38.9 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | | | trans | -145.1 | 140.5 | 165.4 | 35.5 | 0 | 0 | 0 | 0 | 109.6 | | |
| 7 | T | 38.7 | Very low | 38.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | 76.7 | 107.1 | 155 | 56.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 8 | S | 36.7 | Very low | 39 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | | 25.4 | 131.1 | 127.6 | 57.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 9 | S | 38.5 | Very low | 38.9 | Very low | 123 Ų | 123 | 134 Ų | 134 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -151.8 | 136.4 | 157.1 | -70.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 10 | N | 39.2 | Very low | 38.9 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -77.8 | 170.2 | -179.7 | -65.3 | -33.1 | 0 | 0 | 0 | 113 | | |
| 11 | S | 33 | Very low | 38.6 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | 92.7 | 117.9 | 137.2 | -58.1 | 0 | 0 | 0 | 0 | 121.3 | | |
| 12 | S | 35.4 | Very low | 38 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | | 87.8 | 156.4 | 128.3 | -57.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 13 | L | 40.7 | Very low | 38.1 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | | | trans | 92.8 | 137.9 | 166.6 | -47.8 | 174.5 | 0 | 0 | 0 | 114.1 | | |
| 14 | A | 39.4 | Very low | 37.8 | Very low | 82 Ų | 82 | 130.1 Ų | 130.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | cis | -180 | 177 | -9.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 15 | S | 40 | Very low | 37.5 | Very low | 127 Ų | 127 | 128.6 Ų | 128.6 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | 99.1 | 125.2 | 161.1 | -34.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 16 | G | 38 | Very low | 37.4 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | cis | -178 | 156.8 | 3.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 17 | L | 38.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 131.7 Ų | 131.7 | 80% | 0.801 | 78% | 0.775 | S | S | * | * | | | trans | 68.8 | 111.6 | 143.1 | -52.5 | 175.2 | 0 | 0 | 0 | 120.4 | | |
| 18 | S | 41.9 | Very low | 37.1 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | | -161.4 | 104.9 | 128 | -72.5 | 0 | 0 | 0 | 0 | 109 | | |
| 19 | D | 36.6 | Very low | 36.8 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -67.3 | 143.2 | 178.8 | -66.2 | -62.1 | 0 | 0 | 0 | 113 | | |
| 20 | T | 38.4 | Very low | 36.5 | Very low | 149 Ų | 149 | 129 Ų | 129 | 91% | 0.914 | 77% | 0.767 | S | S | * | * | | | | -176.1 | 100.2 | 121.5 | 23.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 21 | N | 32.9 | Very low | 36.3 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -78.1 | 163.7 | 170.9 | -154.8 | -18.5 | 0 | 0 | 0 | 109.3 | | |
| 22 | F | 37.6 | Very low | 36.3 | Very low | 168 Ų | 168 | 128.1 Ų | 128.1 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | | | trans | 131.7 | 104.2 | 144.7 | -67.2 | -63.4 | 0 | 0 | 0 | 117.1 | | |
| 23 | I | 37.6 | Very low | 36 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 71% | 0.708 | 77% | 0.77 | S | S | * | * | | | | 90.4 | 113.5 | 126.3 | -56 | 162.7 | 0 | 0 | 0 | 118.8 | | |
| 24 | N | 32.4 | Very low | 35.7 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | 12.2 | 125.9 | 138 | -68.5 | -39.8 | 0 | 0 | 0 | 119.2 | | |
| 25 | L | 37 | Very low | 35.3 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | | -177.3 | 114.4 | 122.5 | -126.9 | 54.1 | 0 | 0 | 0 | 106.6 | | |
| 26 | E | 35.1 | Very low | 34.8 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | | 67.8 | 140.5 | 87.8 | -129.4 | -174.9 | -146.6 | 0 | 0 | 113.5 | | |
| 27 | Q | 35.8 | Very low | 34.4 | Very low | 154 Ų | 154 | 129.1 Ų | 129.1 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | trans | 79.9 | 139.1 | 158.4 | -59.4 | 173.6 | 24.4 | 0 | 0 | 115.8 | | |
| 28 | T | 34.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | cis | -170.1 | 158.6 | 2.7 | -89.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 29 | A | 30.5 | Very low | 33.6 | Very low | 85 Ų | 85 | 128.5 Ų | 128.5 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | trans | -58.5 | 159.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 30 | A | 31 | Very low | 33.6 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | 53.5 | 125.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 31 | I | 36.4 | Very low | 33.4 | Very low | 176 Ų | 176 | 135 Ų | 135 | 90% | 0.903 | 77% | 0.767 | S | S | * | * | | | | 173.3 | 134 | 126.8 | -87.1 | 151.4 | 0 | 0 | 0 | 109.4 | | |
| 32 | G | 31.6 | Very low | 33.3 | Very low | 61 Ų | 61 | 131.8 Ų | 131.8 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | | | trans | 86 | 95.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 33 | S | 29.7 | Very low | 33 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | | 56.2 | 89.6 | 75 | -48.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 34 | S | 34.5 | Very low | 32.6 | Very low | 124 Ų | 124 | 131.7 Ų | 131.7 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | | 161.8 | 123.3 | 126.5 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 35 | G | 30.6 | Very low | 32.7 | Very low | 63 Ų | 63 | 132.4 Ų | 132.4 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | 54 | 113.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 36 | T | 30.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | | 58.6 | 110 | 126.2 | 57.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 37 | T | 29.6 | Very low | 32.1 | Very low | 143 Ų | 143 | 137.1 Ų | 137.1 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | 35.7 | 107.2 | 141.5 | 60.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 38 | T | 33.3 | Very low | 31.9 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -132.8 | 117.9 | 164.9 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 39 | N | 30.7 | Very low | 31.7 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | | | trans | -52 | 151.4 | 167.2 | -69.1 | -42.6 | 0 | 0 | 0 | 113 | | |
| 40 | R | 35.2 | Very low | 31.9 | Very low | 229 Ų | 229 | 142.2 Ų | 142.2 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -118.8 | 107.9 | 151.2 | -86.2 | -172.2 | 177.6 | -136.9 | 0.2 | 108.1 | | |
| 41 | F | 35.6 | Very low | 31.9 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 70.6 | 99 | 174.3 | -49.6 | -78.7 | 0 | 0 | 0 | 113.9 | | |
| 42 | G | 29.9 | Very low | 31.7 | Very low | 63 Ų | 63 | 148.7 Ų | 148.7 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | cis | 120 | 100.6 | 43.3 | 0 | 0 | 0 | 0 | 0 | 104.1 | | |
| 43 | F | 31.6 | Very low | 31.7 | Very low | 217 Ų | 217 | 149.7 Ų | 149.7 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | | | | -141.2 | 140.9 | 52.6 | -70.1 | -98.6 | 0 | 0 | 0 | 110.3 | | |
| 44 | S | 28.8 | Very low | 31.9 | Very low | 87 Ų | 87 | 150.7 Ų | 150.7 | 61% | 0.608 | 79% | 0.791 | S | S | * | * | | | trans | -102.9 | 125.6 | 169.1 | 37.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 45 | D | 34.8 | Very low | 31.6 | Very low | 161 Ų | 161 | 151.6 Ų | 151.6 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -162.7 | 99.8 | 132.8 | -100.8 | -21.7 | 0 | 0 | 0 | 110.5 | | |
| 46 | R | 26.4 | Very low | 31.9 | Very low | 234 Ų | 234 | 155.7 Ų | 155.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -77.5 | 123.2 | 153.5 | -176.7 | -173.4 | -166.7 | -169.8 | 4.3 | 104.7 | | |
| 47 | L | 32.5 | Very low | 31.9 | Very low | 158 Ų | 158 | 158.8 Ų | 158.8 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | 161.3 | 118.2 | 146.7 | -85.9 | 159.6 | 0 | 0 | 0 | 108.1 | | |
| 48 | I | 33.4 | Very low | 31.7 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | trans | 166.9 | 100.5 | 130.3 | -79.4 | 152.7 | 0 | 0 | 0 | 105.8 | H50 | I48-H50 HydrophobicContact CG2-CB 4.13Š|
| 49 | N | 28.9 | Very low | 31.7 | Very low | 163 Ų | 163 | 162.1 Ų | 162.1 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -63 | 124.1 | 151 | -70.9 | -29.8 | 0 | 0 | 0 | 106.8 | | |
| 50 | H | 35.2 | Very low | 31.6 | Very low | 166 Ų | 166 | 163.5 Ų | 163.5 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -141.8 | 105.7 | 155.7 | -111.7 | -56.4 | 0 | 0 | 0 | 109 | I48 | I48-H50 HydrophobicContact CG2-CB 4.13Š|
| 51 | E | 31.4 | Very low | 31.5 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -51.9 | 131.9 | 150.5 | -75.5 | 170.9 | 126.9 | 0 | 0 | 108.9 | | |
| 52 | Y | 32.9 | Very low | 31.1 | Very low | 218 Ų | 218 | 155.9 Ų | 155.9 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | trans | -150.5 | 108.4 | 143.6 | -133.2 | -93.7 | 0 | 0 | 0 | 109.4 | | |
| 53 | S | 31 | Very low | 31.2 | Very low | 82 Ų | 82 | 158.6 Ų | 158.6 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | | | trans | -44.3 | 139.1 | 157.3 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 54 | D | 32.9 | Very low | 31 | Very low | 139 Ų | 139 | 155.8 Ų | 155.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | | -172.9 | 120.2 | 111.5 | -96.6 | -19.9 | 0 | 0 | 0 | 113.9 | H56 | D54-H56 PolarHBondContact O-N 2.83Š|
| 55 | N | 29.6 | Very low | 31.2 | Very low | 143 Ų | 143 | 157.4 Ų | 157.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -56.3 | 122 | 154.7 | -70.2 | -66.7 | 0 | 0 | 0 | 109.3 | | |
| 56 | H | 35.4 | Very low | 30.8 | Very low | 150 Ų | 150 | 156.5 Ų | 156.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | | | trans | -151.8 | 111.9 | 150.8 | -109.9 | 29.1 | 0 | 0 | 0 | 112.7 | D54 | D54-H56 PolarHBondContact O-N 2.83Š|
| 57 | R | 30.2 | Very low | 30.9 | Very low | 190 Ų | 190 | 151 Ų | 151 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | | 60.4 | 109 | 129.5 | -65.4 | 175.5 | 129.8 | 135.4 | -4.4 | 116.7 | | |
| 58 | Q | 26.6 | Very low | 30.6 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | | 42.4 | 94.2 | 93.7 | -69.6 | -172.4 | -10 | 0 | 0 | 112.9 | | |
| 59 | H | 34 | Very low | 30.4 | Very low | 169 Ų | 169 | 148.5 Ų | 148.5 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | -157 | 112.4 | 136.8 | -130.1 | -86 | 0 | 0 | 0 | 110.3 | N61 | H59-N61 PolarHBondContact O-N 3.25Š|
| 60 | L | 28.4 | Very low | 30.4 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | trans | -44.8 | 126.8 | 150.5 | -75.7 | 133.3 | 0 | 0 | 0 | 108.2 | | |
| 61 | N | 32.6 | Very low | 30 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -157.4 | 101.9 | 148.6 | -92.4 | -18.4 | 0 | 0 | 0 | 108.9 | H59 V63 | H59-N61 PolarHBondContact O-N 3.25Å; N61-V63 PolarHBondContact O-N 3.45Å |
| 62 | T | 27.1 | Very low | 29.7 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -23 | 111.3 | 152.5 | -35.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 63 | V | 32.6 | Very low | 29.4 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -127.7 | 95.1 | 158.3 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | N61 T65 | N61-V63 PolarHBondContact O-N 3.45Å; V63-T65 HydrophobicContact CG1-CG2 4.23Å; V63-T65 PolarHBondContact O-N 3.44Å |
| 64 | Q | 26.2 | Very low | 29.3 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -69.4 | 109.9 | 171.4 | -171.8 | 174 | 4.2 | 0 | 0 | 107.8 | | |
| 65 | T | 33.4 | Very low | 29.1 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -127 | 109.5 | 163 | 47.8 | 0 | 0 | 0 | 0 | 108.2 | V63 S67 | V63-T65 HydrophobicContact CG1-CG2 4.23Å; V63-T65 PolarHBondContact O-N 3.44Å; T65-S67 PolarHBondContact O-N 3.5Å |
| 66 | N | 25.5 | Very low | 29 | Very low | 142 Ų | 142 | 149.9 Ų | 149.9 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -68.8 | 113.2 | 175.3 | -69.8 | -28.2 | 0 | 0 | 0 | 108.9 | | |
| 67 | S | 28.4 | Very low | 28.7 | Very low | 117 Ų | 117 | 148.8 Ų | 148.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -170 | 117.3 | 139.9 | 33.8 | 0 | 0 | 0 | 0 | 109.5 | T65 | T65-S67 PolarHBondContact O-N 3.5Š|
| 68 | S | 26.6 | Very low | 28.7 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -58.9 | 126.9 | 178.4 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 69 | H | 29.2 | Very low | 28.7 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | | | trans | -160.1 | 88.5 | 135.4 | -83.3 | -60.9 | 0 | 0 | 0 | 107.9 | S71 N108 | H69-S71 PolarHBondContact O-N 3.5Å; H69-N108 PolarHBondContact CE1-ND2 3.17Å; H69-N108 VanDerWaalsContact CE1-ND2 3.28Å |
| 70 | N | 28.3 | Very low | 28.5 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | trans | -61 | 114.1 | 176.9 | -97.2 | -20.6 | 0 | 0 | 0 | 110.6 | S72 | N70-S72 PolarHBondContact O-N 2.95Š|
| 71 | S | 26.7 | Very low | 28.4 | Very low | 124 Ų | 124 | 141 Ų | 141 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | | | trans | -66.6 | 103.9 | 153.2 | -80.5 | 0 | 0 | 0 | 0 | 109 | H69 | H69-S71 PolarHBondContact O-N 3.5Š|
| 72 | S | 27 | Very low | 28.2 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 54% | 0.538 | 76% | 0.764 | S | S | . | * | | | trans | -101.4 | 95.3 | 167.7 | 70.6 | 0 | 0 | 0 | 0 | 110.4 | N70 F74 | N70-S72 PolarHBondContact O-N 2.95Å; S72-F74 PolarHBondContact O-N 3.18Å; S72-F74 WeakPolarHBondContact OG-CD2 3.27Å; S72-F74 WeakPolarHBondContact OG-CE2 3.46Å |
| 73 | R | 25.9 | Very low | 28.1 | Very low | 230 Ų | 230 | 143.3 Ų | 143.3 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | | | trans | -74.7 | 91.9 | 165.6 | -172.1 | -174.3 | -77.6 | 174.2 | -5.2 | 107.3 | I75 | R73-I75 PolarHBondContact O-N 3.04Š|
| 74 | F | 29.6 | Very low | 27.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 74% | 0.737 | 77% | 0.765 | S | S | * | * | | | trans | -78.7 | 113.8 | 175.7 | -76 | -74.8 | 0 | 0 | 0 | 110.5 | S72 | S72-F74 PolarHBondContact O-N 3.18Å; S72-F74 WeakPolarHBondContact OG-CD2 3.27Å; S72-F74 WeakPolarHBondContact OG-CE2 3.46Å |
| 75 | I | 28 | Very low | 27.9 | Very low | 148 Ų | 148 | 138.1 Ų | 138.1 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | trans | -89.7 | 108.7 | 167.7 | -61.9 | 171.7 | 0 | 0 | 0 | 106.1 | R73 | R73-I75 PolarHBondContact O-N 3.04Š|
| 76 | Y | 27.9 | Very low | 27.6 | Very low | 214 Ų | 214 | 140.5 Ų | 140.5 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -91.6 | 118 | 171.4 | -111.5 | -91.9 | 0 | 0 | 0 | 109.1 | | |
| 77 | N | 28.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 67% | 0.674 | 76% | 0.761 | S | S | * | * | | | trans | -101.2 | 115.2 | 172.1 | -173.7 | 11 | 0 | 0 | 0 | 108.8 | L79 | N77-L79 PolarHBondContact O-N 3.13Š|
| 78 | P | 29.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | trans | -98.7 | 73.3 | -174.3 | 37.4 | -30 | 0 | 0 | 0 | 110.4 | | |
| 79 | L | 28.4 | Very low | 28 | Very low | 135 Ų | 135 | 144 Ų | 144 | 71% | 0.707 | 76% | 0.764 | S | S | * | * | | | trans | -147.1 | 99.8 | 174.8 | -74.8 | 172 | 0 | 0 | 0 | 109.7 | N77 | N77-L79 PolarHBondContact O-N 3.13Š|
| 80 | N | 28.5 | Very low | 27.9 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | -178.2 | 86.6 | 136.3 | -89 | -13.3 | 0 | 0 | 0 | 109.8 | | |
| 81 | V | 26.4 | Very low | 28 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | -77.3 | 153.1 | 152.4 | 173.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 82 | Y | 28.6 | Very low | 28.1 | Very low | 215 Ų | 215 | 142.7 Ų | 142.7 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | | | trans | 95.8 | 137.3 | 179.9 | -67.7 | -78.2 | 0 | 0 | 0 | 115.1 | | |
| 83 | S | 26.2 | Very low | 28 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | cis | -171.8 | 158.7 | -8 | -165 | 0 | 0 | 0 | 0 | 107.9 | | |
| 84 | A | 25.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 140.4 Ų | 140.4 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | 65.7 | 130.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 85 | G | 28.4 | Very low | 28.2 | Very low | 67 Ų | 67 | 140.8 Ų | 140.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | 138.3 | 66 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 86 | E | 27.7 | Very low | 28.2 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | | 54.1 | 125.6 | 96.9 | -68.1 | -170 | 166.1 | 0 | 0 | 113.2 | | |
| 87 | N | 29.1 | Very low | 28.2 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | 82.2 | 98.5 | 174.7 | -41.9 | -63.2 | 0 | 0 | 0 | 114 | | |
| 88 | F | 30.2 | Very low | 28.2 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | | | | -177.8 | 147 | 83.2 | -85.5 | -72.7 | 0 | 0 | 0 | 110.4 | | |
| 89 | P | 28.1 | Very low | 28.1 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -92.8 | 155.7 | -159.2 | 36.2 | -34.3 | 0 | 0 | 0 | 115.1 | | |
| 90 | L | 28.3 | Very low | 27.9 | Very low | 167 Ų | 167 | 144.9 Ų | 144.9 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -35.9 | 118 | 165.6 | -168 | 88.5 | 0 | 0 | 0 | 115.5 | | |
| 91 | V | 30.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | | | trans | -145.3 | 98 | 155.8 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 92 | V | 28.1 | Very low | 28 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | | | | 65.5 | 109.7 | 107.5 | -177.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 93 | N | 25.2 | Very low | 28.3 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | 44.9 | 101.8 | 146.7 | -54.8 | -11.1 | 0 | 0 | 0 | 118.5 | | |
| 94 | S | 31.7 | Very low | 28.4 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | -152.4 | 112.7 | 129.9 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 95 | E | 27 | Very low | 28.4 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | | | trans | -53.5 | 142.7 | 151.3 | -63.1 | 177.6 | 152 | 0 | 0 | 107.9 | | |
| 96 | H | 28.2 | Very low | 28.5 | Very low | 171 Ų | 171 | 150 Ų | 150 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | trans | 87.1 | 74.4 | -175.2 | -52.4 | -67.9 | 0 | 0 | 0 | 117.1 | | |
| 97 | Y | 28.1 | Very low | 28.5 | Very low | 219 Ų | 219 | 149 Ų | 149 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | | | trans | -114.5 | 94 | 144.9 | -135.8 | -96.1 | 0 | 0 | 0 | 109.7 | | |
| 98 | K | 27.8 | Very low | 28.4 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | | | trans | -60 | 159.2 | 153 | -80.9 | 178.1 | 169.1 | 176.9 | 0 | 108.5 | | |
| 99 | Q | 27.2 | Very low | 28.6 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | | | trans | 98.3 | 101.5 | 160.3 | -66.5 | 166 | -17.1 | 0 | 0 | 117.3 | | |
| 100 | A | 25.1 | Very low | 28.8 | Very low | 87 Ų | 87 | 143.6 Ų | 143.6 | 72% | 0.719 | 76% | 0.761 | S | S | * | * | | | | 64.5 | 102.1 | 115.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 101 | Y | 27.2 | Very low | 28.7 | Very low | 235 Ų | 235 | 143.7 Ų | 143.7 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | | | trans | -142.4 | 113.2 | 139.4 | -110.4 | -86.6 | 0 | 0 | 0 | 109.9 | | |
| 102 | S | 28.6 | Very low | 28.9 | Very low | 86 Ų | 86 | 142.8 Ų | 142.8 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | | | trans | -81.9 | 143.8 | 172.9 | 167.4 | 0 | 0 | 0 | 0 | 110.1 | N104 | S102-N104 PolarHBondContact OG-N 3.36Š|
| 103 | P | 35.1 | Very low | 28.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | | | trans | -128.3 | 85.3 | 145.9 | 31.7 | -15.3 | 0 | 0 | 0 | 110.5 | | |
| 104 | N | 27.9 | Very low | 29.3 | Very low | 120 Ų | 120 | 142 Ų | 142 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | | | | 34.3 | 116.5 | 124.4 | -74 | -33.6 | 0 | 0 | 0 | 119.7 | S102 | S102-N104 PolarHBondContact OG-N 3.36Š|
| 105 | F | 25.6 | Very low | 29.2 | Very low | 159 Ų | 159 | 144 Ų | 144 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | | | trans | 68.5 | 127.5 | 143.4 | -72.6 | -101.2 | 0 | 0 | 0 | 116.8 | | |
| 106 | I | 30.8 | Very low | 29.2 | Very low | 159 Ų | 159 | 142.9 Ų | 142.9 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | | | | -144.6 | 129 | 67.9 | -72.7 | 157.2 | 0 | 0 | 0 | 111.3 | | |
| 107 | Q | 27.2 | Very low | 29.4 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -59.6 | 138.9 | 170.7 | -71.5 | 159.6 | -54.9 | 0 | 0 | 113 | | |
| 108 | N | 27.6 | Very low | 29.4 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 58% | 0.578 | 77% | 0.769 | S | S | * | * | | | trans | -177.3 | 122 | 148.1 | -80.9 | -36 | 0 | 0 | 0 | 103.8 | H69 | H69-N108 PolarHBondContact CE1-ND2 3.17Å; H69-N108 VanDerWaalsContact CE1-ND2 3.28Å |
| 109 | T | 34.2 | Very low | 29.6 | Very low | 137 Ų | 137 | 136.6 Ų | 136.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | S | Bend | cis | -172.5 | 133.7 | 36.4 | 0.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 110 | G | 33.6 | Very low | 29.7 | Very low | 74 Ų | 74 | 132.8 Ų | 132.8 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | 82.7 | 73.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | S112 | G110-S112 PolarHBondContact O-N 3.05Š|
| 111 | D | 26.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 134.5 Ų | 134.5 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -59.7 | 113.3 | 150.4 | -82.6 | -40.8 | 0 | 0 | 0 | 109.3 | | |
| 112 | S | 33.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -171.8 | 107.4 | 139.3 | 18 | 0 | 0 | 0 | 0 | 109.5 | G110 S114 | G110-S112 PolarHBondContact O-N 3.05Å; S112-S114 PolarHBondContact O-N 3.17Å |
| 113 | V | 30.1 | Very low | 30.4 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | | | trans | -58.2 | 117.4 | 163.9 | 176 | 0 | 0 | 0 | 0 | 108.8 | | |
| 114 | S | 31.9 | Very low | 30.2 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -145.3 | 107.2 | 148.3 | 64.3 | 0 | 0 | 0 | 0 | 108.6 | S112 D116 | S112-S114 PolarHBondContact O-N 3.17Å; S114-D116 PolarHBondContact O-N 3.09Å |
| 115 | N | 30.7 | Very low | 30.5 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | | | trans | -52.2 | 116.9 | 161.7 | -69.4 | -31.2 | 0 | 0 | 0 | 108.3 | | |
| 116 | D | 27.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | trans | 172.6 | 149.6 | 144.2 | -90.1 | -29.1 | 0 | 0 | 0 | 109.7 | S114 | S114-D116 PolarHBondContact O-N 3.09Š|
| 117 | S | 30.5 | Very low | 30.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | trans | 81.9 | 91.5 | 166.1 | 70 | 0 | 0 | 0 | 0 | 119.6 | V119 | S117-V119 PolarHBondContact O-N 3.41Š|
| 118 | E | 28.6 | Very low | 31.3 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 78% | 0.78 | S | S | * | * | | | | 28.3 | 87.4 | 121 | -64.5 | 179.6 | 136.2 | 0 | 0 | 119.5 | | |
| 119 | V | 32.6 | Very low | 31.7 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | -155 | 134.2 | 149.8 | -173.9 | 0 | 0 | 0 | 0 | 110.1 | S117 | S117-V119 PolarHBondContact O-N 3.41Š|
| 120 | P | 29.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 135.8 Ų | 135.8 | 58% | 0.584 | 78% | 0.78 | S | S | * | * | | | trans | -80.4 | 160.3 | -166.1 | 33.7 | -36.6 | 0 | 0 | 0 | 113.7 | Y122 | P120-Y122 HydrophobicContact CG-CD2 4.46Å; P120-Y122 HydrophobicContact CG-CE2 4.47Å; P120-Y122 PolarHBondContact O-N 3.04Å; P120-Y122 VanDerWaalsContact O-N 3.14Å |
| 121 | P | 32.6 | Very low | 32.3 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | | | trans | -80.6 | 103 | -175.4 | 33.2 | -30.9 | 0 | 0 | 0 | 110.2 | | |
| 122 | Y | 30.2 | Very low | 32.9 | Very low | 226 Ų | 226 | 137.6 Ų | 137.6 | 89% | 0.886 | 77% | 0.769 | S | S | * | * | | | trans | -114.8 | 87.7 | 157.6 | -76.9 | -80.7 | 0 | 0 | 0 | 108.6 | P120 | P120-Y122 HydrophobicContact CG-CD2 4.46Å; P120-Y122 HydrophobicContact CG-CE2 4.47Å; P120-Y122 PolarHBondContact O-N 3.04Å; P120-Y122 VanDerWaalsContact O-N 3.14Å |
| 123 | C | 32.6 | Very low | 33.4 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 86% | 0.858 | 77% | 0.771 | S | S | * | * | | | trans | -90.4 | 117.5 | 168.7 | -80.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 124 | S | 30.8 | Very low | 34.1 | Very low | 100 Ų | 100 | 135.6 Ų | 135.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | | | trans | -55.5 | 132.4 | 177 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | V126 | S124-V126 PolarHBondContact O-N 2.89Å; S124-V126 WeakPolarHBondContact OG-CG2 3.34Å |
| 125 | I | 33 | Very low | 34.8 | Very low | 158 Ų | 158 | 134.2 Ų | 134.2 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | | | trans | -80.2 | 84.9 | 175.1 | -42.7 | 170.8 | 0 | 0 | 0 | 108.2 | | |
| 126 | V | 32.2 | Very low | 35.7 | Very low | 113 Ų | 113 | 131.6 Ų | 131.6 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -101.1 | 113.1 | 171.9 | -179.1 | 0 | 0 | 0 | 0 | 110 | S124 | S124-V126 PolarHBondContact O-N 2.89Å; S124-V126 WeakPolarHBondContact OG-CG2 3.34Å |
| 127 | S | 32.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | | | trans | 52.4 | 107.2 | 149 | -50.9 | 0 | 0 | 0 | 0 | 119.6 | Q129 | S127-Q129 PolarHBondContact O-N 2.75Š|
| 128 | F | 36.4 | Very low | 37.6 | Very low | 192 Ų | 192 | 125.4 Ų | 125.4 | 84% | 0.842 | 68% | 0.68 | S | S | * | * | | | trans | -63.3 | 91.8 | 165 | -40.1 | -80.3 | 0 | 0 | 0 | 110.5 | N130 | F128-N130 PolarHBondContact O-N 3.23Š|
| 129 | Q | 37 | Very low | 38.5 | Very low | 183 Ų | 183 | 122.7 Ų | 122.7 | 86% | 0.855 | 67% | 0.67 | S | S | * | * | | | trans | -80.3 | 93.4 | 169.3 | -151.7 | 167.5 | 7.6 | 0 | 0 | 107.5 | S127 N131 | S127-Q129 PolarHBondContact O-N 2.75Å; Q129-N131 VanDerWaalsContact C-N 3.27Å; Q129-N131 PolarHBondContact O-N 3.22Å |
| 130 | N | 37.8 | Very low | 39.1 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 57% | 0.572 | 66% | 0.659 | S | S | * | * | | | trans | -62.1 | 87.1 | 172.7 | -92.8 | -6.6 | 0 | 0 | 0 | 109.6 | F128 M132 | F128-N130 PolarHBondContact O-N 3.23Å; N130-M132 HydrophobicContact CB-CG 4.47Å; N130-M132 PolarHBondContact O-N 2.66Å; N130-M132 VanDerWaalsContact O-N 3.12Å |
| 131 | N | 41.1 | Very low | 40.4 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 68% | 0.679 | 64% | 0.635 | S | S | * | * | | | trans | -77.4 | 93 | 167.4 | -158.2 | -2.6 | 0 | 0 | 0 | 107.5 | Q129 N133 | Q129-N131 VanDerWaalsContact C-N 3.27Å; Q129-N131 PolarHBondContact O-N 3.22Å; N131-N133 PolarHBondContact O-N 2.78Å |
| 132 | M | 40 | Very low | 41.3 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | | | trans | -71.3 | 65.3 | -175.8 | -65.6 | -88.6 | -91.1 | 0 | 0 | 111.4 | N130 | N130-M132 HydrophobicContact CB-CG 4.47Å; N130-M132 PolarHBondContact O-N 2.66Å; N130-M132 VanDerWaalsContact O-N 3.12Å |
| 133 | N | 44.2 | Very low | 42.2 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -146.8 | 90.2 | 167.1 | -110.4 | 1.3 | 0 | 0 | 0 | 107.9 | N131 | N131-N133 PolarHBondContact O-N 2.78Š|
| 134 | G | 45.2 | Very low | 43 | Very low | 55 Ų | 55 | 112.7 Ų | 112.7 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 110.7 | 9.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 135 | Q | 45.8 | Very low | 43.9 | Very low | 77 Ų | 77 | 110.6 Ų | 110.6 | 36% | 0.36 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 96.2 | 176.6 | -71.1 | -175 | 16.3 | 0 | 0 | 110.2 | F137 N144 | Q135-F137 PolarHBondContact O-N 3.05Å; Q135-N144 WeakPolarHBondContact CB-OD1 3.22Å; Q135-N144 VanDerWaalsContact CD-ND2 3.33Å; Q135-N144 PolarHBondContact OE1-ND2 3.06Å |
| 136 | N | 49 | Very low | 44.6 | Very low | 90 Ų | 90 | 108 Ų | 108 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 98.3 | 171.2 | -76.9 | -11.4 | 0 | 0 | 0 | 107.8 | C138 H145 M147 | N136-C138 PolarHBondContact O-N 3.45Å; N136-H145 PolarHBondContact N-O 3.17Å; N136-H145 PolarHBondContact O-N 3.21Å; N136-H145 VanDerWaalsContact O-N 3.17Å; N136-M147 HydrophobicContact CB-CG 3.77Å; N136-M147 WeakPolarHBondContact ND2-CG 3.04Å |
| 137 | F | 48.5 | Very low | 45.1 | Very low | 113 Ų | 113 | 106 Ų | 106 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 119.4 | 165.7 | -177.8 | -100.2 | 0 | 0 | 0 | 108.4 | Q135 I139 R142 | Q135-F137 PolarHBondContact O-N 3.05Å; F137-I139 HydrophobicContact CD1-CG1 4.02Å; F137-I139 HydrophobicContact CE1-CG1 4.31Å; F137-I139 PolarHBondContact O-N 3.29Å; F137-R142 HydrophobicContact CE2-CB 4.17Å; F137-R142 HydrophobicContact CZ-CB 3.95Å; F137-R142 HydrophobicContact CZ-CG 3.94Å |
| 138 | C | 49.4 | Very low | 45.4 | Very low | 14 Ų | 14 | 107.9 Ų | 107.9 | 10% | 0.095 | 54% | 0.542 | C | S | . | . | | | trans | -76.7 | 105.3 | 169.2 | 156.7 | 0 | 0 | 0 | 0 | 107 | N136 D140 C141 R142 Y143 H145 C153 | N136-C138 PolarHBondContact O-N 3.45Å; C138-D140 PolarHBondContact O-N 3.13Å; C138-D140 VanDerWaalsContact O-N 3.16Å; C138-C141 HydrophobicContact CB-CB 4.32Å; C138-C141 WeakPolarHBondContact CB-SG 3.34Å; C138-C141 PolarHBondContact O-N 3.06Å; C138-C141 VanDerWaalsContact O-N 3.13Å; C138-C141 WeakPolarHBondContact SG-CB 3.26Å; C138-C141 PolarHBondContact SG-N 3.39Å; C138-C141 CovalentContact SG-SG 2.04Å; C138-C141 PolarHBondContact SG-SG 3.35Å; C138-R142 PolarHBondContact O-N 3.28Å; C138-Y143 PolarHBondContact N-O 3.13Å; C138-H145 WeakPolarHBondContact CB-CD2 3.29Å; C138-C153 HydrophobicContact CB-CB 4.43Å; C138-C153 PolarHBondContact SG-SG 3.23Å |
| 139 | I | 47.8 | Very low | 45.6 | Very low | 137 Ų | 137 | 104.1 Ų | 104.1 | 70% | 0.703 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.5 | 179.3 | -79.9 | 172.2 | 0 | 0 | 0 | 111.1 | F137 | F137-I139 HydrophobicContact CD1-CG1 4.02Å; F137-I139 HydrophobicContact CE1-CG1 4.31Å; F137-I139 PolarHBondContact O-N 3.29Å |
| 140 | D | 44.4 | Very low | 45.9 | Very low | 110 Ų | 110 | 98.3 Ų | 98.3 | 59% | 0.588 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -48.3 | -178.1 | -65.5 | -35.3 | 0 | 0 | 0 | 110.8 | C138 H158 | C138-D140 PolarHBondContact O-N 3.13Å; C138-D140 VanDerWaalsContact O-N 3.16Å; D140-H158 HydrophobicContact CB-CB 3.6Å; D140-H158 VanDerWaalsContact O-CB 3.26Å; D140-H158 WeakPolarHBondContact O-CB 3.19Å; D140-H158 PolarHBondContact O-ND1 2.88Å |
| 141 | C | 58 | Low | 46.2 | Very low | 11 Ų | 11 | 101 Ų | 101 | 7% | 0.074 | 54% | 0.539 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -9.9 | -167.5 | 61.9 | 0 | 0 | 0 | 0 | 117.4 | C138 Y143 H145 C155 H158 | C138-C141 HydrophobicContact CB-CB 4.32Å; C138-C141 WeakPolarHBondContact CB-SG 3.34Å; C138-C141 PolarHBondContact O-N 3.06Å; C138-C141 VanDerWaalsContact O-N 3.13Å; C138-C141 WeakPolarHBondContact SG-CB 3.26Å; C138-C141 PolarHBondContact SG-N 3.39Å; C138-C141 CovalentContact SG-SG 2.04Å; C138-C141 PolarHBondContact SG-SG 3.35Å; C141-Y143 WeakPolarHBondContact O-CD2 3.19Å; C141-Y143 PolarHBondContact O-N 3.23Å; C141-H145 PolarHBondContact SG-CD2 3.19Å; C141-H145 PolarHBondContact SG-NE2 3.08Å; C141-C155 HydrophobicContact CB-CB 4.21Å; C141-H158 VanDerWaalsContact CA-CD2 3.4Å; C141-H158 WeakPolarHBondContact CA-CD2 3.5Å; C141-H158 WeakPolarHBondContact CA-CE1 3.48Å; C141-H158 WeakPolarHBondContact CA-ND1 3.42Å; C141-H158 WeakPolarHBondContact CA-NE2 3.45Å; C141-H158 WeakPolarHBondContact CB-CD2 3.33Å; C141-H158 VanDerWaalsContact CB-CE1 3.46Å; C141-H158 WeakPolarHBondContact CB-CE1 2.88Å; C141-H158 WeakPolarHBondContact CB-NE2 3.46Å |
| 142 | R | 51.8 | Low | 46.7 | Very low | 124 Ų | 124 | 102.6 Ų | 102.6 | 47% | 0.468 | 54% | 0.544 | S | S | . | . | | | trans | 54.6 | 11 | -174.7 | -53.9 | -170.8 | 149.5 | -122.3 | -13.2 | 114.3 | F137 C138 | F137-R142 HydrophobicContact CE2-CB 4.17Å; F137-R142 HydrophobicContact CZ-CB 3.95Å; F137-R142 HydrophobicContact CZ-CG 3.94Å; C138-R142 PolarHBondContact O-N 3.28Å |
| 143 | Y | 48.4 | Very low | 47.2 | Very low | 174 Ų | 174 | 97.5 Ų | 97.5 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | | | trans | -88.6 | 141.1 | 170.7 | -94.5 | -94 | 0 | 0 | 0 | 109 | C138 C141 H145 | C138-Y143 PolarHBondContact N-O 3.13Å; C141-Y143 WeakPolarHBondContact O-CD2 3.19Å; C141-Y143 PolarHBondContact O-N 3.23Å; Y143-H145 PolarHBondContact O-CD2 3.44Å; Y143-H145 PolarHBondContact O-N 3.33Å |
| 144 | N | 49.2 | Very low | 47.7 | Very low | 74 Ų | 74 | 96.2 Ų | 96.2 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 98.9 | 174 | -157.9 | -13.3 | 0 | 0 | 0 | 108 | Q135 V146 | Q135-N144 WeakPolarHBondContact CB-OD1 3.22Å; Q135-N144 VanDerWaalsContact CD-ND2 3.33Å; Q135-N144 PolarHBondContact OE1-ND2 3.06Å; N144-V146 PolarHBondContact O-N 3.36Å |
| 145 | H | 50.9 | Low | 48.1 | Very low | 56 Ų | 56 | 95.7 Ų | 95.7 | 26% | 0.259 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 103 | 175.3 | -73.4 | -95.9 | 0 | 0 | 0 | 108 | N136 C138 C141 Y143 M147 C155 | N136-H145 PolarHBondContact N-O 3.17Å; N136-H145 PolarHBondContact O-N 3.21Å; N136-H145 VanDerWaalsContact O-N 3.17Å; C138-H145 WeakPolarHBondContact CB-CD2 3.29Å; C141-H145 PolarHBondContact SG-CD2 3.19Å; C141-H145 PolarHBondContact SG-NE2 3.08Å; Y143-H145 PolarHBondContact O-CD2 3.44Å; Y143-H145 PolarHBondContact O-N 3.33Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 2.9Å; H145-C155 PolarHBondContact CE1-SG 3.24Å |
| 146 | V | 47.3 | Very low | 48.3 | Very low | 103 Ų | 103 | 102.3 Ų | 102.3 | 62% | 0.624 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 99.1 | 164.5 | -177.7 | 0 | 0 | 0 | 0 | 106.3 | N144 I148 | N144-V146 PolarHBondContact O-N 3.36Å; V146-I148 VanDerWaalsContact C-N 3.31Å; V146-I148 HydrophobicContact CG1-CG1 4.41Å; V146-I148 PolarHBondContact O-N 3.12Å |
| 147 | M | 42.7 | Very low | 48.2 | Very low | 71 Ų | 71 | 106.7 Ų | 106.7 | 35% | 0.35 | 55% | 0.545 | S | S | . | . | | | trans | -69.6 | 92.8 | 176.3 | -73.3 | -98.9 | -67 | 0 | 0 | 108.4 | N136 H145 S149 | N136-M147 HydrophobicContact CB-CG 3.77Å; N136-M147 WeakPolarHBondContact ND2-CG 3.04Å; H145-M147 VanDerWaalsContact C-N 3.32Å; H145-M147 PolarHBondContact O-N 2.9Å; M147-S149 PolarHBondContact O-N 2.82Å |
| 148 | I | 38.4 | Very low | 48.2 | Very low | 136 Ų | 136 | 104.9 Ų | 104.9 | 70% | 0.697 | 54% | 0.538 | S | S | * | . | | | trans | -74.2 | 103.6 | 160.7 | -57.7 | 172.1 | 0 | 0 | 0 | 105.2 | V146 G150 | V146-I148 VanDerWaalsContact C-N 3.31Å; V146-I148 HydrophobicContact CG1-CG1 4.41Å; V146-I148 PolarHBondContact O-N 3.12Å; I148-G150 PolarHBondContact O-N 3.19Å |
| 149 | S | 41.5 | Very low | 47.6 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 80% | 0.797 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 47 | 73.8 | 162.7 | -59.2 | 0 | 0 | 0 | 0 | 115.6 | M147 Q151 | M147-S149 PolarHBondContact O-N 2.82Å; S149-Q151 PolarHBondContact O-N 2.85Å |
| 150 | G | 43.4 | Very low | 47 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80 | 8.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | I148 | I148-G150 PolarHBondContact O-N 3.19Š|
| 151 | Q | 43.8 | Very low | 46.3 | Very low | 164 Ų | 164 | 114.4 Ų | 114.4 | 77% | 0.766 | 59% | 0.593 | S | S | * | * | | | trans | -102.1 | 111.5 | 176.9 | -73.1 | -178.7 | -3.6 | 0 | 0 | 112.4 | S149 | S149-Q151 PolarHBondContact O-N 2.85Š|
| 152 | M | 51.2 | Low | 45.3 | Very low | 159 Ų | 159 | 123.1 Ų | 123.1 | 78% | 0.783 | 63% | 0.629 | S | S | * | * | | | trans | -70.3 | 142.1 | -178.3 | -20.4 | -177.5 | -174.7 | 0 | 0 | 110.6 | T154 | M152-T154 PolarHBondContact O-N 3.17Š|
| 153 | C | 49.3 | Very low | 44.4 | Very low | 48 Ų | 48 | 126.5 Ų | 126.5 | 32% | 0.324 | 65% | 0.651 | S | S | . | * | | | trans | -57.9 | 127.2 | 172.7 | 145.7 | 0 | 0 | 0 | 0 | 110.4 | C138 C155 | C138-C153 HydrophobicContact CB-CB 4.43Å; C138-C153 PolarHBondContact SG-SG 3.23Å; C153-C155 VanDerWaalsContact C-N 3.35Å; C153-C155 WeakPolarHBondContact CB-SG 2.81Å; C153-C155 WeakPolarHBondContact SG-CB 3.4Å; C153-C155 PolarHBondContact SG-N 3.04Å; C153-C155 VanDerWaalsContact SG-N 3.37Å; C153-C155 CovalentContact SG-SG 2.05Å; C153-C155 PolarHBondContact SG-SG 3.28Å |
| 154 | T | 55.6 | Low | 43.9 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 80% | 0.798 | 64% | 0.64 | S | S | * | * | | | trans | -100.9 | 25.3 | 177.8 | 50.6 | 0 | 0 | 0 | 0 | 111.8 | M152 R156 | M152-T154 PolarHBondContact O-N 3.17Å; T154-R156 PolarHBondContact O-N 3.11Å |
| 155 | C | 54.1 | Low | 43.2 | Very low | 44 Ų | 44 | 124.4 Ų | 124.4 | 30% | 0.297 | 66% | 0.658 | S | S | . | * | | | trans | -69.3 | 98.3 | -166.9 | -39.1 | 0 | 0 | 0 | 0 | 110.5 | C141 H145 C153 F157 | C141-C155 HydrophobicContact CB-CB 4.21Å; H145-C155 PolarHBondContact CE1-SG 3.24Å; C153-C155 VanDerWaalsContact C-N 3.35Å; C153-C155 WeakPolarHBondContact CB-SG 2.81Å; C153-C155 WeakPolarHBondContact SG-CB 3.4Å; C153-C155 PolarHBondContact SG-N 3.04Å; C153-C155 VanDerWaalsContact SG-N 3.37Å; C153-C155 CovalentContact SG-SG 2.05Å; C153-C155 PolarHBondContact SG-SG 3.28Å; C155-F157 PolarHBondContact O-N 3.13Å; C155-F157 VanDerWaalsContact O-N 3.14Å |
| 156 | R | 49.5 | Very low | 42.7 | Very low | 215 Ų | 215 | 127 Ų | 127 | 81% | 0.811 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 6.2 | 178.1 | -74.6 | -174.6 | 174.3 | -176.5 | -1.8 | 114.5 | T154 | T154-R156 PolarHBondContact O-N 3.11Š|
| 157 | F | 46.3 | Very low | 42 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 80% | 0.803 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 17.5 | -164.6 | -82.7 | -80 | 0 | 0 | 0 | 115.5 | C155 | C155-F157 PolarHBondContact O-N 3.13Å; C155-F157 VanDerWaalsContact O-N 3.14Å |
| 158 | H | 48.3 | Very low | 41.6 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 34% | 0.343 | 70% | 0.702 | S | S | . | * | | | trans | -120.9 | 21.4 | -179 | -58.5 | -58.3 | 0 | 0 | 0 | 113.6 | D140 C141 E160 | D140-H158 HydrophobicContact CB-CB 3.6Å; D140-H158 VanDerWaalsContact O-CB 3.26Å; D140-H158 WeakPolarHBondContact O-CB 3.19Å; D140-H158 PolarHBondContact O-ND1 2.88Å; C141-H158 VanDerWaalsContact CA-CD2 3.4Å; C141-H158 WeakPolarHBondContact CA-CD2 3.5Å; C141-H158 WeakPolarHBondContact CA-CE1 3.48Å; C141-H158 WeakPolarHBondContact CA-ND1 3.42Å; C141-H158 WeakPolarHBondContact CA-NE2 3.45Å; C141-H158 WeakPolarHBondContact CB-CD2 3.33Å; C141-H158 VanDerWaalsContact CB-CE1 3.46Å; C141-H158 WeakPolarHBondContact CB-CE1 2.88Å; C141-H158 WeakPolarHBondContact CB-NE2 3.46Å; H158-E160 VanDerWaalsContact C-N 3.31Å |
| 159 | N | 38.2 | Very low | 41.4 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | | | trans | -91.5 | 12 | -177.9 | -142.1 | 19.1 | 0 | 0 | 0 | 113.5 | | |
| 160 | E | 35 | Very low | 41.1 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -125.5 | 89.4 | 174.1 | -68.6 | -172.3 | -178.3 | 0 | 0 | 109.5 | H158 K162 | H158-E160 VanDerWaalsContact C-N 3.31Å; E160-K162 PolarHBondContact O-N 2.75Å; E160-K162 VanDerWaalsContact O-N 3.08Å |
| 161 | S | 29.4 | Very low | 40.5 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | | | trans | -46.1 | 106.5 | 173 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 162 | K | 36.9 | Very low | 40 | Very low | 193 Ų | 193 | 136.6 Ų | 136.6 | 84% | 0.839 | 71% | 0.711 | S | S | * | * | | | trans | -121.1 | 113 | 150.1 | -98.6 | -179.7 | 176.2 | 176.4 | 0 | 107.7 | E160 V164 | E160-K162 PolarHBondContact O-N 2.75Å; E160-K162 VanDerWaalsContact O-N 3.08Å; K162-V164 WeakPolarHBondContact O-CG2 3.26Å; K162-V164 PolarHBondContact O-N 2.82Å |
| 163 | E | 33.7 | Very low | 39 | Very low | 196 Ų | 196 | 134.3 Ų | 134.3 | 92% | 0.916 | 71% | 0.711 | S | S | * | * | | | trans | -34.5 | 119 | 179 | -67.4 | 173.9 | 140.3 | 0 | 0 | 111.4 | | |
| 164 | V | 38 | Very low | 38.2 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 47% | 0.467 | 74% | 0.735 | S | S | . | * | | | trans | -111 | 100 | 168.8 | -163.1 | 0 | 0 | 0 | 0 | 110 | K162 T166 | K162-V164 WeakPolarHBondContact O-CG2 3.26Å; K162-V164 PolarHBondContact O-N 2.82Å; V164-T166 PolarHBondContact O-N 2.91Å; V164-T166 VanDerWaalsContact O-N 3.13Å |
| 165 | T | 33.2 | Very low | 37 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | -53.1 | 110.2 | 167.3 | -42.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 166 | T | 41.5 | Very low | 36.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | trans | -86.1 | 107.3 | 171.6 | 41 | 0 | 0 | 0 | 0 | 108.9 | V164 | V164-T166 PolarHBondContact O-N 2.91Å; V164-T166 VanDerWaalsContact O-N 3.13Å |
| 167 | T | 31 | Very low | 35.3 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | trans | -70.7 | 125.1 | 164.4 | 44.2 | 0 | 0 | 0 | 0 | 108.9 | I169 | T167-I169 PolarHBondContact O-N 3.13Š|
| 168 | P | 36.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | | | trans | -65.8 | 120.2 | 176.8 | 25.7 | -31.9 | 0 | 0 | 0 | 109.8 | L170 | P168-L170 PolarHBondContact O-N 3.09Å; P168-L170 VanDerWaalsContact O-N 3.13Å |
| 169 | I | 33.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | trans | -73.9 | 101.6 | 168.6 | -59.3 | 174.7 | 0 | 0 | 0 | 106.6 | T167 N171 | T167-I169 PolarHBondContact O-N 3.13Å; I169-N171 PolarHBondContact O-N 3.16Å |
| 170 | L | 34.5 | Very low | 33.7 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | | | trans | -65.5 | 100.5 | 170.2 | -77.1 | 161.6 | 0 | 0 | 0 | 108.9 | P168 F172 | P168-L170 PolarHBondContact O-N 3.09Å; P168-L170 VanDerWaalsContact O-N 3.13Å; L170-F172 HydrophobicContact CB-CE2 4.07Å; L170-F172 PolarHBondContact O-N 3.17Å; L170-F172 VanDerWaalsContact O-N 3.17Å |
| 171 | N | 31.8 | Very low | 33.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -74.4 | 98.7 | 170.7 | -105.6 | -14.6 | 0 | 0 | 0 | 109.4 | I169 S173 | I169-N171 PolarHBondContact O-N 3.16Å; N171-S173 PolarHBondContact O-N 3.18Å |
| 172 | F | 32.6 | Very low | 34.1 | Very low | 176 Ų | 176 | 144.1 Ų | 144.1 | 77% | 0.772 | 77% | 0.773 | S | S | * | * | | | trans | -72.7 | 93.2 | 166.9 | -70.1 | -83.3 | 0 | 0 | 0 | 109.2 | L170 T174 | L170-F172 HydrophobicContact CB-CE2 4.07Å; L170-F172 PolarHBondContact O-N 3.17Å; L170-F172 VanDerWaalsContact O-N 3.17Å; F172-T174 PolarHBondContact O-N 3.36Å |
| 173 | S | 31.2 | Very low | 33.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -71.8 | 101.4 | 168.6 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | N171 N175 | N171-S173 PolarHBondContact O-N 3.18Å; S173-N175 PolarHBondContact O-N 3.31Å; S173-N175 VanDerWaalsContact O-N 3.09Å |
| 174 | T | 31.2 | Very low | 33.5 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -80.4 | 78.4 | 174.7 | 54.8 | 0 | 0 | 0 | 0 | 110.4 | F172 | F172-T174 PolarHBondContact O-N 3.36Š|
| 175 | N | 31.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 144.9 Ų | 144.9 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -158.6 | 63.4 | 161.3 | -143 | -9.2 | 0 | 0 | 0 | 113.9 | S173 | S173-N175 PolarHBondContact O-N 3.31Å; S173-N175 VanDerWaalsContact O-N 3.09Å |
| 176 | T | 36.3 | Very low | 33.6 | Very low | 127 Ų | 127 | 146.7 Ų | 146.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -141.4 | 96.6 | 153.2 | 42.9 | 0 | 0 | 0 | 0 | 109.6 | S178 | T176-S178 PolarHBondContact O-N 3.21Š|
| 177 | R | 30.4 | Very low | 33.1 | Very low | 240 Ų | 240 | 145.3 Ų | 145.3 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | -46.7 | 135.5 | 148.3 | -113.9 | 174.9 | 172.9 | -176.4 | -2.6 | 107.5 | | |
| 178 | S | 30.4 | Very low | 33.4 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | 84.8 | 63.5 | 178.4 | 80.7 | 0 | 0 | 0 | 0 | 116.9 | T176 | T176-S178 PolarHBondContact O-N 3.21Š|
| 179 | A | 35.5 | Very low | 33.5 | Very low | 82 Ų | 82 | 151.1 Ų | 151.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | trans | -136.3 | 100.8 | 138.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | F181 | A179-F181 PolarHBondContact O-N 3.25Š|
| 180 | Q | 34.2 | Very low | 33.7 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -65.6 | 76 | 170.3 | -67.8 | 167.6 | -39.3 | 0 | 0 | 109.1 | | |
| 181 | F | 36.7 | Very low | 33.6 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | | | trans | -135.6 | 63.6 | 155 | -74.7 | -74.8 | 0 | 0 | 0 | 106.9 | A179 N183 | A179-F181 PolarHBondContact O-N 3.25Å; F181-N183 PolarHBondContact O-N 3.43Å |
| 182 | L | 35.4 | Very low | 33.9 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | | | trans | -64.6 | 123.6 | 174.8 | -80.2 | 158.2 | 0 | 0 | 0 | 109.5 | | |
| 183 | N | 30.9 | Very low | 34.2 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 71.6 | 84.3 | 134.1 | -53.7 | -24.6 | 0 | 0 | 0 | 117.2 | F181 | F181-N183 PolarHBondContact O-N 3.43Š|
| 184 | R | 28 | Very low | 34.8 | Very low | 228 Ų | 228 | 150 Ų | 150 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -111.4 | 112.7 | 133.8 | -164 | 172.3 | -174.1 | -178.2 | 1 | 108.3 | L186 | R184-L186 PolarHBondContact O-N 2.89Š|
| 185 | P | 35.7 | Very low | 35.2 | Very low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -64.9 | 117.8 | 171 | 26.3 | -29.2 | 0 | 0 | 0 | 107.4 | S187 | P185-S187 PolarHBondContact O-N 2.95Š|
| 186 | L | 37.5 | Very low | 35.5 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | | | trans | -71.9 | 114.3 | 170.4 | -71.9 | 170.1 | 0 | 0 | 0 | 107.1 | R184 Y188 | R184-L186 PolarHBondContact O-N 2.89Å; L186-Y188 PolarHBondContact O-N 3Å |
| 187 | S | 30.3 | Very low | 35.5 | Very low | 83 Ų | 83 | 156.7 Ų | 156.7 | 58% | 0.58 | 79% | 0.789 | S | S | * | * | | | trans | -49.1 | 135.7 | 176.2 | -135.4 | 0 | 0 | 0 | 0 | 110.4 | P185 D189 | P185-S187 PolarHBondContact O-N 2.95Å; S187-D189 PolarHBondContact O-N 3.17Å |
| 188 | Y | 38.4 | Very low | 35.6 | Very low | 218 Ų | 218 | 149.2 Ų | 149.2 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 1.2 | -175.6 | -149.7 | -99.5 | 0 | 0 | 0 | 114.2 | L186 | L186-Y188 PolarHBondContact O-N 3Š|
| 189 | D | 38.2 | Very low | 35.7 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 8 | -170.9 | -63.3 | -44.4 | 0 | 0 | 0 | 115 | S187 | S187-D189 PolarHBondContact O-N 3.17Š|
| 190 | N | 36.4 | Very low | 35.4 | Very low | 138 Ų | 138 | 156.8 Ų | 156.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -122.2 | 21.5 | -173.9 | -79.9 | -47.5 | 0 | 0 | 0 | 115.4 | P192 | N190-P192 VanDerWaalsContact O-CD 3.27Å; N190-P192 WeakPolarHBondContact O-CD 3.09Å |
| 191 | Y | 32.2 | Very low | 35.3 | Very low | 208 Ų | 208 | 153.1 Ų | 153.1 | 82% | 0.816 | 77% | 0.769 | S | S | * | * | | | trans | -75.7 | 118.3 | 166.5 | -88.5 | -85.1 | 0 | 0 | 0 | 109.6 | T193 | Y191-T193 PolarHBondContact O-N 3Š|
| 192 | P | 39.1 | Very low | 35.3 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -62.2 | 115 | 169 | 25.5 | -29.9 | 0 | 0 | 0 | 107.2 | N190 | N190-P192 VanDerWaalsContact O-CD 3.27Å; N190-P192 WeakPolarHBondContact O-CD 3.09Å |
| 193 | T | 39 | Very low | 35 | Very low | 113 Ų | 113 | 148.7 Ų | 148.7 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | -54.1 | 139.2 | 167 | 26.6 | 0 | 0 | 0 | 0 | 107.9 | Y191 T195 | Y191-T193 PolarHBondContact O-N 3Å; T193-T195 PolarHBondContact O-N 2.94Å |
| 194 | P | 42.7 | Very low | 35.2 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | | | trans | -64.7 | 96.8 | 166 | 7.1 | 4.3 | 0 | 0 | 0 | 105.7 | K196 | P194-K196 PolarHBondContact O-N 3.07Š|
| 195 | T | 39.7 | Very low | 35.4 | Very low | 123 Ų | 123 | 143.3 Ų | 143.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | | | trans | -50.9 | 119 | 170.5 | 20.6 | 0 | 0 | 0 | 0 | 106.6 | T193 Y197 | T193-T195 PolarHBondContact O-N 2.94Å; T195-Y197 PolarHBondContact O-N 2.04Å |
| 196 | K | 38.8 | Very low | 35.2 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 84% | 0.843 | 77% | 0.765 | S | S | * | * | | | trans | -37.8 | 130.3 | 156.3 | -89.9 | -179.4 | 171.6 | 180 | 0 | 106.6 | P194 S198 | P194-K196 PolarHBondContact O-N 3.07Å; K196-S198 PolarHBondContact O-N 3.45Å |
| 197 | Y | 36.6 | Very low | 35.1 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -55.7 | 89.1 | 162.5 | -76.4 | -86.1 | 0 | 0 | 0 | 107.4 | T195 W199 | T195-Y197 PolarHBondContact O-N 2.04Å; Y197-W199 PolarHBondContact O-N 3.5Å |
| 198 | S | 31.9 | Very low | 35.3 | Very low | 82 Ų | 82 | 145.6 Ų | 145.6 | 57% | 0.573 | 78% | 0.775 | S | S | * | * | | | trans | -72.5 | 105.1 | 158 | 57.9 | 0 | 0 | 0 | 0 | 104 | K196 N200 | K196-S198 PolarHBondContact O-N 3.45Å; S198-N200 PolarHBondContact O-N 3.24Å |
| 199 | W | 31.9 | Very low | 35.1 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | | | trans | -58.6 | 78.3 | 153.1 | -91.4 | 26.7 | 0 | 0 | 0 | 107.8 | Y197 S201 | Y197-W199 PolarHBondContact O-N 3.5Å; W199-S201 PolarHBondContact O-N 3.23Å |
| 200 | N | 30.6 | Very low | 34.8 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -85.3 | 77.3 | 157.8 | -80.9 | -0 | 0 | 0 | 0 | 105.5 | S198 T202 | S198-N200 PolarHBondContact O-N 3.24Å; N200-T202 PolarHBondContact O-N 3.14Å |
| 201 | S | 31.9 | Very low | 34.7 | Very low | 97 Ų | 97 | 145.7 Ų | 145.7 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -63.2 | 92 | 157.9 | -59 | 0 | 0 | 0 | 0 | 106.1 | W199 S203 | W199-S201 PolarHBondContact O-N 3.23Å; S201-S203 VanDerWaalsContact C-N 3.35Å; S201-S203 PolarHBondContact O-N 2.05Å |
| 202 | T | 35.2 | Very low | 35 | Very low | 126 Ų | 126 | 145 Ų | 145 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -67.5 | 103.4 | 165.7 | 24 | 0 | 0 | 0 | 0 | 106.3 | N200 S204 | N200-T202 PolarHBondContact O-N 3.14Å; T202-S204 PolarHBondContact O-N 3.37Å; T202-S204 VanDerWaalsContact O-N 3.13Å |
| 203 | S | 30.8 | Very low | 34.8 | Very low | 123 Ų | 123 | 145.8 Ų | 145.8 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -51.5 | 106.9 | 164.3 | 34.3 | 0 | 0 | 0 | 0 | 109.9 | S201 | S201-S203 VanDerWaalsContact C-N 3.35Å; S201-S203 PolarHBondContact O-N 2.05Å |
| 204 | S | 33.4 | Very low | 35 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | trans | -144.2 | 129.2 | 157.6 | 61 | 0 | 0 | 0 | 0 | 108.3 | T202 | T202-S204 PolarHBondContact O-N 3.37Å; T202-S204 VanDerWaalsContact O-N 3.13Å |
| 205 | L | 33.2 | Very low | 35.5 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | | | trans | 82.1 | 84 | 172.3 | -77.3 | 75.6 | 0 | 0 | 0 | 117.3 | E207 | L205-E207 PolarHBondContact O-N 3.29Š|
| 206 | S | 31.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | | 33.1 | 85.6 | 114.6 | 60.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 207 | E | 35.1 | Very low | 35.5 | Very low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -141.9 | 127.7 | 140.9 | -79.5 | -163.9 | 152.8 | 0 | 0 | 108.9 | L205 | L205-E207 PolarHBondContact O-N 3.29Š|
| 208 | P | 34.8 | Very low | 35.7 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -83.2 | 134.2 | 171.7 | 32.3 | -28.2 | 0 | 0 | 0 | 109.8 | | |
| 209 | M | 34.8 | Very low | 35.9 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | 55.3 | 114.3 | 150.4 | -119.9 | 96.6 | 164.9 | 0 | 0 | 115.8 | | |
| 210 | T | 31.6 | Very low | 36.1 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | | -164.5 | 96.9 | 68.8 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 211 | H | 35.1 | Very low | 36.3 | Very low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | | | trans | -79.3 | 130.5 | 158.9 | -88.6 | -78.9 | 0 | 0 | 0 | 108.5 | V213 | H211-V213 PolarHBondContact O-N 3.23Å; H211-V213 VanDerWaalsContact O-N 3.11Å |
| 212 | Q | 37.4 | Very low | 36.6 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | | | trans | -51.9 | 119.3 | 172.6 | -81.1 | -178.2 | -23.8 | 0 | 0 | 109.2 | L214 | Q212-L214 PolarHBondContact O-N 2.9Å; Q212-L214 VanDerWaalsContact O-N 3.13Å |
| 213 | V | 35.1 | Very low | 36.5 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -59.3 | 114.8 | 170.6 | 174.6 | 0 | 0 | 0 | 0 | 107 | H211 | H211-V213 PolarHBondContact O-N 3.23Å; H211-V213 VanDerWaalsContact O-N 3.11Å |
| 214 | L | 43.6 | Very low | 36.7 | Very low | 155 Ų | 155 | 145.3 Ų | 145.3 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 133.8 | 166.6 | -74.1 | 161.4 | 0 | 0 | 0 | 107.9 | Q212 | Q212-L214 PolarHBondContact O-N 2.9Å; Q212-L214 VanDerWaalsContact O-N 3.13Å |
| 215 | P | 52 | Low | 36.5 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 135.9 | -177.1 | 24.1 | -32.1 | 0 | 0 | 0 | 109.5 | L217 | P215-L217 PolarHBondContact O-N 3.35Š|
| 216 | P | 38 | Very low | 36.5 | Very low | 96 Ų | 96 | 147.6 Ų | 147.6 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 128.9 | 175 | 24.9 | -30.5 | 0 | 0 | 0 | 109.1 | T218 | P216-T218 PolarHBondContact O-N 3.49Š|
| 217 | L | 40.6 | Very low | 36.7 | Very low | 185 Ų | 185 | 150.6 Ų | 150.6 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | | | trans | -73.5 | 40.8 | 172.7 | -71.2 | 165.4 | 0 | 0 | 0 | 111.7 | P215 N219 | P215-L217 PolarHBondContact O-N 3.35Å; L217-N219 PolarHBondContact O-N 2.9Å |
| 218 | T | 40.6 | Very low | 36.6 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 60% | 0.601 | 80% | 0.802 | S | S | * | * | | | trans | -90.7 | 104.4 | 171.5 | 52.1 | 0 | 0 | 0 | 0 | 108 | P216 V220 | P216-T218 PolarHBondContact O-N 3.49Å; T218-V220 PolarHBondContact O-N 3.06Å |
| 219 | N | 36.5 | Very low | 36.4 | Very low | 164 Ų | 164 | 149 Ų | 149 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | -57.4 | 89.4 | 160.1 | -94.3 | -9.9 | 0 | 0 | 0 | 108 | L217 L221 | L217-N219 PolarHBondContact O-N 2.9Å; N219-L221 VanDerWaalsContact C-N 3.3Å; N219-L221 PolarHBondContact O-N 3.14Å; N219-L221 VanDerWaalsContact O-N 3.08Å |
| 220 | V | 37.4 | Very low | 36.5 | Very low | 101 Ų | 101 | 146.6 Ų | 146.6 | 61% | 0.612 | 80% | 0.796 | S | S | * | * | | | trans | -76.4 | 95.7 | 164 | -174.7 | 0 | 0 | 0 | 0 | 105.3 | T218 T222 | T218-V220 PolarHBondContact O-N 3.06Å; V220-T222 HydrophobicContact CG1-CG2 3.91Å; V220-T222 PolarHBondContact O-N 3.31Å; V220-T222 PolarHBondContact O-OG1 2.94Å |
| 221 | L | 34.5 | Very low | 36.5 | Very low | 167 Ų | 167 | 147.1 Ų | 147.1 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -54.4 | 89.3 | 155.8 | -83 | 148.2 | 0 | 0 | 0 | 107.4 | N219 | N219-L221 VanDerWaalsContact C-N 3.3Å; N219-L221 PolarHBondContact O-N 3.14Å; N219-L221 VanDerWaalsContact O-N 3.08Å |
| 222 | T | 38 | Very low | 36.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -114.1 | 96.5 | 163.8 | 20 | 0 | 0 | 0 | 0 | 107.5 | V220 Q224 | V220-T222 HydrophobicContact CG1-CG2 3.91Å; V220-T222 PolarHBondContact O-N 3.31Å; V220-T222 PolarHBondContact O-OG1 2.94Å; T222-Q224 PolarHBondContact O-N 2.83Å; T222-Q224 VanDerWaalsContact O-N 3.17Å |
| 223 | E | 33.8 | Very low | 36.6 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -46 | 110.6 | 156.3 | -64.6 | 175.9 | 146.5 | 0 | 0 | 109.3 | | |
| 224 | Q | 34.8 | Very low | 36.6 | Very low | 186 Ų | 186 | 144.9 Ų | 144.9 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | | | trans | -151.1 | 96.4 | 152.7 | -125.3 | 176.7 | -13.2 | 0 | 0 | 109.4 | T222 | T222-Q224 PolarHBondContact O-N 2.83Å; T222-Q224 VanDerWaalsContact O-N 3.17Å |
| 225 | C | 28.2 | Very low | 36.1 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | 9.1 | 115.9 | 147.9 | -88 | 0 | 0 | 0 | 0 | 115.3 | | |
| 226 | H | 33.4 | Very low | 35.4 | Very low | 188 Ų | 188 | 147.8 Ų | 147.8 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | | -154 | 116.8 | 119.3 | -105.1 | 67.9 | 0 | 0 | 0 | 109 | N228 | H226-N228 PolarHBondContact O-N 3.08Š|
| 227 | H | 35.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 154.2 Ų | 154.2 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | -48 | 123.8 | 163.6 | -85.6 | -88.2 | 0 | 0 | 0 | 109.9 | | |
| 228 | N | 32.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | | | | -169.1 | 135.8 | 119.2 | -87.3 | -30.7 | 0 | 0 | 0 | 112.2 | H226 | H226-N228 PolarHBondContact O-N 3.08Š|
| 229 | S | 30.9 | Very low | 34.3 | Very low | 109 Ų | 109 | 159.7 Ų | 159.7 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -57.6 | 159.9 | -178.2 | 175.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 230 | V | 36.4 | Very low | 34 | Very low | 126 Ų | 126 | 155 Ų | 155 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | 105.1 | 92.3 | 157.2 | -165.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 231 | N | 32.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 156.5 Ų | 156.5 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | | 30.9 | 108.4 | 125.6 | -94 | -10.9 | 0 | 0 | 0 | 118.5 | | |
| 232 | N | 37.5 | Very low | 33.5 | Very low | 148 Ų | 148 | 159.4 Ų | 159.4 | 79% | 0.791 | 81% | 0.806 | S | S | * | * | | | trans | -160.7 | 82.7 | 131.4 | -125.5 | -32.7 | 0 | 0 | 0 | 112.2 | N234 | N232-N234 PolarHBondContact O-N 2.85Š|
| 233 | H | 37.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 158.8 Ų | 158.8 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | | | trans | -83 | 86.7 | 161.8 | -66.8 | -72.9 | 0 | 0 | 0 | 108.5 | | |
| 234 | N | 35.8 | Very low | 33.3 | Very low | 148 Ų | 148 | 156 Ų | 156 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -175.7 | 78.3 | 153.4 | -98.2 | -21.5 | 0 | 0 | 0 | 110.3 | N232 | N232-N234 PolarHBondContact O-N 2.85Š|
| 235 | T | 33 | Very low | 33.5 | Very low | 113 Ų | 113 | 154.4 Ų | 154.4 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | | | trans | -130.4 | 63.6 | 171.2 | -44.4 | 0 | 0 | 0 | 0 | 110 | | |
| 236 | F | 35.5 | Very low | 34 | Very low | 210 Ų | 210 | 155.2 Ų | 155.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | | | trans | -144.9 | 79.4 | 154.2 | -74.3 | -70.9 | 0 | 0 | 0 | 108.9 | | |
| 237 | R | 29.2 | Very low | 34 | Very low | 231 Ų | 231 | 151.5 Ų | 151.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 109.4 | 162.9 | -70.9 | -177.1 | -175.9 | -121 | 1.5 | 107.7 | | |
| 238 | Y | 32.1 | Very low | 34.1 | Very low | 207 Ų | 207 | 151 Ų | 151 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | -132.3 | 110.4 | 152.9 | -99.3 | -97.8 | 0 | 0 | 0 | 108.6 | | |
| 239 | F | 35.1 | Very low | 34.2 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | | | trans | 19.6 | 130.2 | 145.9 | -49.8 | -91.8 | 0 | 0 | 0 | 117.3 | | |
| 240 | G | 30.5 | Very low | 34.4 | Very low | 67 Ų | 67 | 152.9 Ų | 152.9 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | cis | 148 | 108.5 | 20 | 0 | 0 | 0 | 0 | 0 | 106 | | |
| 241 | V | 31.8 | Very low | 34.3 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | -136 | 115.6 | 163.4 | -172.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 242 | Y | 29.9 | Very low | 34.8 | Very low | 228 Ų | 228 | 151.4 Ų | 151.4 | 89% | 0.894 | 80% | 0.797 | S | S | * | * | | | trans | -67.7 | 126.5 | -179.2 | -79.6 | -99.1 | 0 | 0 | 0 | 111.3 | | |
| 243 | S | 33 | Very low | 34.7 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | -143.1 | 121.6 | 146.4 | -93.3 | 0 | 0 | 0 | 0 | 107.6 | I245 | S243-I245 PolarHBondContact O-N 3.49Š|
| 244 | P | 34.5 | Very low | 34.9 | Very low | 132 Ų | 132 | 149.9 Ų | 149.9 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -77.4 | 97.8 | -179.3 | 30.3 | -29.9 | 0 | 0 | 0 | 109 | | |
| 245 | I | 39.1 | Very low | 34.9 | Very low | 152 Ų | 152 | 150.1 Ų | 150.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -80.3 | 118.6 | 164.1 | -63.3 | 173.9 | 0 | 0 | 0 | 106.8 | S243 T247 | S243-I245 PolarHBondContact O-N 3.49Å; I245-T247 PolarHBondContact O-N 3.47Å; I245-T247 VanDerWaalsContact O-N 3.17Å |
| 246 | T | 39.4 | Very low | 35.2 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -50.6 | 112 | 164.4 | 44 | 0 | 0 | 0 | 0 | 109.8 | D248 | T246-D248 PolarHBondContact O-N 2.92Š|
| 247 | T | 33.4 | Very low | 35.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | | | trans | -58.8 | 124.7 | 161.9 | 27.3 | 0 | 0 | 0 | 0 | 109.4 | I245 Y249 | I245-T247 PolarHBondContact O-N 3.47Å; I245-T247 VanDerWaalsContact O-N 3.17Å; T247-Y249 HydrophobicContact CG2-CE2 4.44Å |
| 248 | D | 36.8 | Very low | 35.7 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | | | | -152.7 | 135.4 | 126.7 | -102.1 | -29.9 | 0 | 0 | 0 | 112.3 | T246 | T246-D248 PolarHBondContact O-N 2.92Š|
| 249 | Y | 34.7 | Very low | 35.8 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | trans | -74.3 | 143.9 | -170.9 | -76.7 | -106.4 | 0 | 0 | 0 | 111.9 | T247 | T247-Y249 HydrophobicContact CG2-CE2 4.44Š|
| 250 | S | 34.2 | Very low | 35.9 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | | | | -175.3 | 125.6 | 128.4 | -85.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 251 | P | 36.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | -95.4 | 125.6 | 173.9 | 34.3 | -25.6 | 0 | 0 | 0 | 110.5 | | |
| 252 | S | 41.6 | Very low | 36.6 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -149.8 | 122.2 | 169.6 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 253 | G | 35.1 | Very low | 37.3 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | 67.3 | 154 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 254 | Y | 42.1 | Very low | 37.4 | Very low | 222 Ų | 222 | 129.4 Ų | 129.4 | 87% | 0.871 | 78% | 0.781 | S | S | * | * | | | cis | -164.8 | 137.2 | 24.9 | 23.3 | -91.1 | 0 | 0 | 0 | 106.3 | | |
| 255 | D | 35.8 | Very low | 38.1 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -64.6 | 170 | 174 | -160.3 | -4 | 0 | 0 | 0 | 111.7 | | |
| 256 | S | 40.1 | Very low | 38.6 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | | | trans | 105.5 | 89.9 | 164.7 | -45 | 0 | 0 | 0 | 0 | 116.4 | | |
| 257 | S | 32.8 | Very low | 38.7 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | | | | 24.3 | 117.1 | 120.7 | 62.2 | 0 | 0 | 0 | 0 | 117.2 | | |
| 258 | N | 41.3 | Very low | 39.7 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | | 168.4 | 119.7 | 115.3 | -84.2 | -23.9 | 0 | 0 | 0 | 111.6 | | |
| 259 | G | 33.6 | Very low | 40.3 | Very low | 70 Ų | 70 | 129.7 Ų | 129.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | | 72.7 | 81.6 | 129.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 260 | L | 38.4 | Very low | 40.9 | Very low | 184 Ų | 184 | 122.8 Ų | 122.8 | 96% | 0.963 | 76% | 0.764 | S | S | * | * | | | trans | -129.5 | 98.3 | 149.6 | -80.3 | 165.2 | 0 | 0 | 0 | 109 | | |
| 261 | S | 39.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 122.9 Ų | 122.9 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | | | trans | -78.6 | 137.8 | 174.2 | -52.7 | 0 | 0 | 0 | 0 | 111 | | |
| 262 | S | 37.8 | Very low | 42.2 | Very low | 115 Ų | 115 | 122.7 Ų | 122.7 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | | | trans | 82.7 | 154 | 155.6 | -55.3 | 0 | 0 | 0 | 0 | 118.5 | | |
| 263 | P | 43 | Very low | 43 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | cis | -129 | 166.2 | 1.1 | 25.7 | -2.4 | 0 | 0 | 0 | 115.7 | V265 | P263-V265 PolarHBondContact O-N 3.33Š|
| 264 | S | 36.1 | Very low | 43.9 | Very low | 110 Ų | 110 | 130 Ų | 130 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | -30.5 | 118.3 | 169.1 | 58.3 | 0 | 0 | 0 | 0 | 116.1 | L266 | S264-L266 PolarHBondContact O-N 3.5Š|
| 265 | V | 48.3 | Very low | 44.4 | Very low | 140 Ų | 140 | 124.1 Ų | 124.1 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | -77.9 | 111.8 | 154.5 | -179.5 | 0 | 0 | 0 | 0 | 106.1 | P263 D267 | P263-V265 PolarHBondContact O-N 3.33Å; V265-D267 PolarHBondContact O-N 2.81Å; V265-D267 VanDerWaalsContact O-N 3.11Å |
| 266 | L | 49.5 | Very low | 45.1 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | | | trans | -45.2 | 117.2 | 168.3 | -103 | 140.6 | 0 | 0 | 0 | 109 | S264 L268 | S264-L266 PolarHBondContact O-N 3.5Å; L266-L268 VanDerWaalsContact C-N 3.27Å; L266-L268 PolarHBondContact O-N 2.87Å |
| 267 | D | 42.6 | Very low | 45.7 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -66.8 | 85.4 | 175.5 | -158.8 | -12.3 | 0 | 0 | 0 | 108.2 | V265 T269 | V265-D267 PolarHBondContact O-N 2.81Å; V265-D267 VanDerWaalsContact O-N 3.11Å; D267-T269 PolarHBondContact O-N 3.25Å; D267-T269 PolarHBondContact OD1-OG1 3.23Å |
| 268 | L | 53.9 | Low | 46.6 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | -79.1 | 37.4 | -177.3 | -138.5 | 100.2 | 0 | 0 | 0 | 111.6 | L266 G270 | L266-L268 VanDerWaalsContact C-N 3.27Å; L266-L268 PolarHBondContact O-N 2.87Å; L268-G270 VanDerWaalsContact C-N 3.27Å |
| 269 | T | 50.4 | Low | 47 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | | | trans | -93.2 | 10.8 | 179.3 | -35.6 | 0 | 0 | 0 | 0 | 111.4 | D267 D271 | D267-T269 PolarHBondContact O-N 3.25Å; D267-T269 PolarHBondContact OD1-OG1 3.23Å; T269-D271 PolarHBondContact O-N 3.08Å |
| 270 | G | 46.6 | Very low | 48 | Very low | 51 Ų | 51 | 129.1 Ų | 129.1 | 53% | 0.526 | 74% | 0.736 | S | S | . | * | S | Bend | trans | -92.7 | 93.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L268 V272 | L268-G270 VanDerWaalsContact C-N 3.27Å; G270-V272 PolarHBondContact O-N 2.63Å |
| 271 | D | 44.7 | Very low | 48.8 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | | 31.2 | 64.7 | 129.9 | -147.3 | 32.6 | 0 | 0 | 0 | 115.1 | T269 R273 | T269-D271 PolarHBondContact O-N 3.08Å; D271-R273 PolarHBondContact O-N 2.96Å; D271-R273 IonicContact OD2-CZ 3.36Å; D271-R273 IonicContact OD2-NE 3.08Å; D271-R273 PolarHBondContact OD2-NE 2.85Å; D271-R273 VanDerWaalsContact OD2-NE 3.08Å; D271-R273 IonicContact OD2-NH2 2.83Å; D271-R273 PolarHBondContact OD2-NH2 3.06Å |
| 272 | V | 52.8 | Low | 49.5 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 75% | 0.745 | 74% | 0.736 | S | S | * | * | | | trans | -76.3 | 81.2 | 174.7 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | G270 T274 | G270-V272 PolarHBondContact O-N 2.63Å; V272-T274 PolarHBondContact O-N 2.87Å |
| 273 | R | 57.8 | Low | 50.7 | Low | 190 Ų | 190 | 131.4 Ų | 131.4 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | | | trans | -56.3 | 116 | 165.7 | -53.3 | -179.5 | -164.7 | -157.6 | -0.1 | 105.7 | D271 V275 | D271-R273 PolarHBondContact O-N 2.96Å; D271-R273 IonicContact OD2-CZ 3.36Å; D271-R273 IonicContact OD2-NE 3.08Å; D271-R273 PolarHBondContact OD2-NE 2.85Å; D271-R273 VanDerWaalsContact OD2-NE 3.08Å; D271-R273 IonicContact OD2-NH2 2.83Å; D271-R273 PolarHBondContact OD2-NH2 3.06Å; R273-V275 PolarHBondContact O-N 3.44Å |
| 274 | T | 54.3 | Low | 51.9 | Low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 73% | 0.734 | S | S | * | * | | | trans | -37.1 | 102.9 | 177.1 | 13.5 | 0 | 0 | 0 | 0 | 110.6 | V272 N276 | V272-T274 PolarHBondContact O-N 2.87Å; T274-N276 PolarHBondContact O-N 3.11Å |
| 275 | V | 53.8 | Low | 53.4 | Low | 99 Ų | 99 | 134.3 Ų | 134.3 | 60% | 0.6 | 74% | 0.738 | S | S | * | * | | | trans | -72.8 | 99.7 | 172.3 | -161.5 | 0 | 0 | 0 | 0 | 105.9 | R273 F277 | R273-V275 PolarHBondContact O-N 3.44Å; V275-F277 VanDerWaalsContact C-N 3.35Å; V275-F277 HydrophobicContact CB-CD2 4.23Å; V275-F277 HydrophobicContact CB-CE2 3.73Å; V275-F277 HydrophobicContact CB-CZ 4.19Å; V275-F277 HydrophobicContact CG1-CD2 4.22Å; V275-F277 HydrophobicContact CG1-CE1 4.16Å; V275-F277 HydrophobicContact CG1-CE2 3.68Å; V275-F277 HydrophobicContact CG1-CZ 3.65Å; V275-F277 WeakPolarHBondContact O-CD2 3.27Å; V275-F277 PolarHBondContact O-N 3.17Å |
| 276 | N | 50.5 | Low | 54.2 | Low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | | | trans | -73.2 | 87.7 | 179.8 | -170.8 | 34.8 | 0 | 0 | 0 | 108.9 | T274 V278 | T274-N276 PolarHBondContact O-N 3.11Å; N276-V278 VanDerWaalsContact ND2-CG2 3.34Å; N276-V278 WeakPolarHBondContact ND2-CG2 3.03Å; N276-V278 PolarHBondContact O-N 3.41Å; N276-V278 VanDerWaalsContact OD1-CG2 3.29Å; N276-V278 WeakPolarHBondContact OD1-CG2 3.38Å |
| 277 | F | 52.4 | Low | 55 | Low | 168 Ų | 168 | 142.2 Ų | 142.2 | 74% | 0.737 | 77% | 0.766 | S | S | * | * | | | trans | -75 | 69.8 | 171.5 | -67.4 | -77.3 | 0 | 0 | 0 | 110 | V275 S279 | V275-F277 VanDerWaalsContact C-N 3.35Å; V275-F277 HydrophobicContact CB-CD2 4.23Å; V275-F277 HydrophobicContact CB-CE2 3.73Å; V275-F277 HydrophobicContact CB-CZ 4.19Å; V275-F277 HydrophobicContact CG1-CD2 4.22Å; V275-F277 HydrophobicContact CG1-CE1 4.16Å; V275-F277 HydrophobicContact CG1-CE2 3.68Å; V275-F277 HydrophobicContact CG1-CZ 3.65Å; V275-F277 WeakPolarHBondContact O-CD2 3.27Å; V275-F277 PolarHBondContact O-N 3.17Å; F277-S279 PolarHBondContact O-N 3.3Å; F277-S279 VanDerWaalsContact O-N 3.17Å |
| 278 | V | 52.3 | Low | 55.6 | Low | 116 Ų | 116 | 142.6 Ų | 142.6 | 70% | 0.703 | 77% | 0.768 | S | S | * | * | | | trans | -84.2 | 75.8 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | N276 | N276-V278 VanDerWaalsContact ND2-CG2 3.34Å; N276-V278 WeakPolarHBondContact ND2-CG2 3.03Å; N276-V278 PolarHBondContact O-N 3.41Å; N276-V278 VanDerWaalsContact OD1-CG2 3.29Å; N276-V278 WeakPolarHBondContact OD1-CG2 3.38Å |
| 279 | S | 49.5 | Very low | 55.7 | Low | 71 Ų | 71 | 142.2 Ų | 142.2 | 50% | 0.497 | 77% | 0.767 | S | S | . | * | | | trans | -161.3 | 102.2 | 169.6 | 52.4 | 0 | 0 | 0 | 0 | 106.1 | F277 | F277-S279 PolarHBondContact O-N 3.3Å; F277-S279 VanDerWaalsContact O-N 3.17Å |
| 280 | H | 53.8 | Low | 56 | Low | 182 Ų | 182 | 143.5 Ų | 143.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | 171.6 | 0.3 | 145 | -79.6 | -33 | 0 | 0 | 0 | 114.5 | Q282 | H280-Q282 PolarHBondContact O-N 3.17Š|
| 281 | D | 55 | Low | 56.6 | Low | 173 Ų | 173 | 148.9 Ų | 148.9 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | | | trans | -82.9 | 37.4 | 178.2 | -73.7 | -24.3 | 0 | 0 | 0 | 115.3 | | |
| 282 | Q | 54.8 | Low | 57.3 | Low | 171 Ų | 171 | 150.8 Ų | 150.8 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | -120.1 | 102.5 | 168.4 | -127.3 | -175.8 | 8.1 | 0 | 0 | 110.8 | H280 | H280-Q282 PolarHBondContact O-N 3.17Š|
| 283 | P | 63.6 | Low | 57.6 | Low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -65.6 | 142.5 | 166.4 | 26 | -30.4 | 0 | 0 | 0 | 109.5 | L285 | P283-L285 PolarHBondContact O-N 3.46Š|
| 284 | P | 67.8 | Low | 57.6 | Low | 121 Ų | 121 | 150 Ų | 150 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | -64.2 | 128.9 | -176.2 | 23.2 | -31.2 | 0 | 0 | 0 | 111.6 | R286 | P284-R286 PolarHBondContact O-N 3.46Š|
| 285 | L | 67.2 | Low | 57.9 | Low | 164 Ų | 164 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -55.2 | 107.5 | 164.9 | -85.1 | 140.2 | 0 | 0 | 0 | 108.8 | P283 T287 | P283-L285 PolarHBondContact O-N 3.46Å; L285-T287 PolarHBondContact O-N 3.32Å |
| 286 | R | 65.5 | Low | 58.2 | Low | 245 Ų | 245 | 155.3 Ų | 155.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | | | trans | -81 | 108.1 | 163.2 | -89.9 | -177 | 162.2 | 165.1 | -4.2 | 108.2 | P284 | P284-R286 PolarHBondContact O-N 3.46Š|
| 287 | T | 66.3 | Low | 58.9 | Low | 206 Ų | 206 | 157.2 Ų | 157.2 | 100% | 1.264 | 82% | 0.824 | S | S | * | * | | | trans | -67.1 | 0 | 157.4 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | L285 | L285-T287 PolarHBondContact O-N 3.32Š|