| 1 | M | 43.6 | Very low | 40.5 | Very low | 227 Ų | 227 | 154 Ų | 154 | 100% | 1.118 | 79% | 0.793 | S | S | * | * | | | | 0 | 103.9 | 0 | -69.7 | 166.9 | 172.1 | 0 | 0 | 105.9 | | |
| 2 | I | 39.1 | Very low | 40.4 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | 68.1 | 114.4 | 62.4 | -57 | 163.2 | 0 | 0 | 0 | 108.6 | | |
| 3 | E | 37.1 | Very low | 40.2 | Very low | 140 Ų | 140 | 150.2 Ų | 150.2 | 65% | 0.654 | 78% | 0.781 | S | S | * | * | | | cis | -154.8 | 149.3 | -15.6 | -139.4 | 133.6 | 125 | 0 | 0 | 106 | M5 | E3-M5 HydrophobicContact CG-CE 4.25Š|
| 4 | S | 39.4 | Very low | 40.1 | Very low | 99 Ų | 99 | 151.5 Ų | 151.5 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | | | | 40 | 135.1 | 86.5 | -107.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 5 | M | 40.8 | Very low | 39.8 | Very low | 105 Ų | 105 | 148.7 Ų | 148.7 | 52% | 0.517 | 79% | 0.786 | S | S | . | * | | | cis | -172.7 | 160.7 | 43 | -118.3 | 168.8 | -68.9 | 0 | 0 | 111.8 | E3 | E3-M5 HydrophobicContact CG-CE 4.25Š|
| 6 | R | 42.1 | Very low | 39.8 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | | | trans | 56.1 | 114.5 | 141.6 | -67.3 | 158.7 | -169.8 | 171.6 | 7 | 118.7 | | |
| 7 | H | 39.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | | | | 55.5 | 115.9 | 86.3 | -66.3 | -74.1 | 0 | 0 | 0 | 115.5 | | |
| 8 | R | 41.3 | Very low | 39.3 | Very low | 253 Ų | 253 | 144.8 Ų | 144.8 | 96% | 0.955 | 79% | 0.785 | S | S | * | * | | | | -172.5 | 163.7 | 102.4 | -98.7 | 168.1 | -175.9 | -179.9 | 0.7 | 112.2 | | |
| 9 | G | 35.8 | Very low | 39.1 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | trans | -87.2 | -173.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 10 | P | 43.9 | Very low | 39 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -91.6 | 166.1 | -162.2 | 36.7 | -37.7 | 0 | 0 | 0 | 115.1 | | |
| 11 | T | 42.9 | Very low | 39 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | | | trans | -127.7 | 161.1 | 157.9 | 42.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 12 | S | 40.2 | Very low | 38.9 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | | | trans | -108.1 | 169.7 | -165 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 13 | E | 37.5 | Very low | 38.9 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | | | trans | 56.6 | 124.7 | 152.4 | -67.6 | 150.4 | -105.5 | 0 | 0 | 120.4 | | |
| 14 | I | 38.6 | Very low | 38.9 | Very low | 169 Ų | 169 | 144.7 Ų | 144.7 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | | | | -178.2 | 149 | 110.6 | -91.6 | 157.6 | 0 | 0 | 0 | 109.9 | | |
| 15 | S | 35.9 | Very low | 38.9 | Very low | 110 Ų | 110 | 145.9 Ų | 145.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -90.2 | 152.9 | -174.6 | -54.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 16 | S | 39 | Very low | 38.9 | Very low | 116 Ų | 116 | 149.1 Ų | 149.1 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | | | trans | -165.5 | 127.5 | 142.5 | -83.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 17 | S | 36.2 | Very low | 38.8 | Very low | 101 Ų | 101 | 144.7 Ų | 144.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | | 89.7 | 114.3 | 57.5 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 18 | L | 34 | Very low | 38.8 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | 38.6 | 123.6 | 152.7 | -57.7 | 173.4 | 0 | 0 | 0 | 120.4 | | |
| 19 | Y | 36.6 | Very low | 38.7 | Very low | 237 Ų | 237 | 136.1 Ų | 136.1 | 93% | 0.929 | 77% | 0.766 | S | S | * | * | | | trans | -146.9 | 158.3 | 132.2 | -132.8 | -93.1 | 0 | 0 | 0 | 111.6 | | |
| 20 | L | 36.5 | Very low | 38.7 | Very low | 147 Ų | 147 | 140 Ų | 140 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -115.7 | 146.2 | -175.1 | -79.7 | 153.7 | 0 | 0 | 0 | 111 | | |
| 21 | D | 40.3 | Very low | 38.4 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 177.7 | 170.1 | 141.7 | -98.6 | -11 | 0 | 0 | 0 | 110.5 | | |
| 22 | K | 40 | Very low | 38.2 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | | | | -178 | 151.6 | -59.2 | -117.2 | 178.3 | 162.2 | -171.5 | 0 | 109.3 | | |
| 23 | H | 39.5 | Very low | 38.1 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | | | trans | 51.9 | 123.1 | 159.5 | -57.3 | -61.5 | 0 | 0 | 0 | 121.4 | | |
| 24 | C | 37.4 | Very low | 38.1 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | | | | 166.4 | 117.8 | 118.6 | -88.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 25 | T | 39.8 | Very low | 38 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | | 58.1 | 136.4 | 97.5 | 66.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 26 | E | 40.6 | Very low | 38.3 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 81% | 0.808 | 74% | 0.735 | S | S | * | * | | | cis | -139.9 | 146.7 | 28.7 | -75.5 | -177.3 | 98.9 | 0 | 0 | 111.6 | | |
| 27 | T | 39.2 | Very low | 38.2 | Very low | 107 Ų | 107 | 133 Ų | 133 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | | | | 78.5 | 117.9 | 71.8 | -39.2 | 0 | 0 | 0 | 0 | 115.5 | I29 | T27-I29 HydrophobicContact CG2-CD1 4.4Š|
| 28 | T | 39.5 | Very low | 38.5 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 72% | 0.724 | S | S | * | * | | | trans | 163 | 95.1 | 145.1 | -68.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 29 | I | 38.4 | Very low | 38.8 | Very low | 123 Ų | 123 | 134.1 Ų | 134.1 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | | | | 72.1 | 102.3 | 86.1 | -64.9 | 163.9 | 0 | 0 | 0 | 110.2 | T27 | T27-I29 HydrophobicContact CG2-CD1 4.4Š|
| 30 | L | 36.1 | Very low | 39.1 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | | | | 66.6 | 142.5 | 90.7 | -63.9 | 161.5 | 0 | 0 | 0 | 112.5 | | |
| 31 | S | 37.4 | Very low | 39.4 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | | | cis | -141.7 | 162.9 | 23.6 | -105.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 32 | T | 39.6 | Very low | 39.4 | Very low | 100 Ų | 100 | 124.8 Ų | 124.8 | 61% | 0.613 | 71% | 0.705 | S | S | * | * | | | | 54 | 140.8 | 66.7 | 83.5 | 0 | 0 | 0 | 0 | 113 | | |
| 33 | D | 38.3 | Very low | 39.6 | Very low | 131 Ų | 131 | 124.3 Ų | 124.3 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | cis | -150.2 | 151.6 | 33.3 | -92.8 | -74.4 | 0 | 0 | 0 | 111.8 | | |
| 34 | S | 38 | Very low | 39.6 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | | | | 68.4 | 151.5 | 86.7 | 117.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 35 | S | 36.5 | Very low | 39.6 | Very low | 85 Ų | 85 | 126 Ų | 126 | 59% | 0.594 | 71% | 0.707 | S | S | * | * | | | cis | -166.8 | 175.9 | -1.2 | 44.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 36 | K | 40.8 | Very low | 39.7 | Very low | 189 Ų | 189 | 125.8 Ų | 125.8 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | trans | 73.4 | 162.3 | 164.3 | -56.6 | 167.5 | -172.2 | 172.6 | 0 | 117.9 | | |
| 37 | S | 37.6 | Very low | 39.8 | Very low | 89 Ų | 89 | 123 Ų | 123 | 62% | 0.622 | 70% | 0.704 | S | S | * | * | | | cis | -167 | 167.9 | -41.2 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 38 | D | 42.4 | Very low | 39.8 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 66% | 0.663 | 71% | 0.71 | S | S | * | * | | | trans | 72 | 134.7 | 153.5 | -62.9 | -57.5 | 0 | 0 | 0 | 122.7 | | |
| 39 | Q | 41.1 | Very low | 39.6 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | | | trans | 67.8 | 144.6 | 148.8 | -65.4 | 166.9 | 51.2 | 0 | 0 | 118.7 | | |
| 40 | Q | 42.4 | Very low | 39.6 | Very low | 157 Ų | 157 | 121.6 Ų | 121.6 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | cis | -157.2 | 162.9 | -11.7 | -125.2 | 168.6 | 21.2 | 0 | 0 | 110.5 | | |
| 41 | S | 42.7 | Very low | 39.6 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | | | trans | 29.8 | 127.8 | 158.3 | 57.8 | 0 | 0 | 0 | 0 | 121 | | |
| 42 | G | 40.2 | Very low | 39.7 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 71% | 0.709 | S | S | * | * | | | cis | 150.9 | -168.8 | 3.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 43 | I | 43.6 | Very low | 39.7 | Very low | 144 Ų | 144 | 125.2 Ų | 125.2 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | trans | 66.9 | 119.3 | 164.8 | -59.8 | 169.8 | 0 | 0 | 0 | 114.9 | | |
| 44 | Y | 39.8 | Very low | 39.6 | Very low | 204 Ų | 204 | 122.2 Ų | 122.2 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | cis | -164.5 | 164.6 | -8.9 | -86.6 | -27.6 | 0 | 0 | 0 | 105 | | |
| 45 | C | 37.7 | Very low | 39.8 | Very low | 92 Ų | 92 | 126.1 Ų | 126.1 | 62% | 0.622 | 73% | 0.728 | S | S | * | * | | | cis | -162.6 | 151.3 | -18.2 | -102.8 | 0 | 0 | 0 | 0 | 105.4 | | |
| 46 | T | 41 | Very low | 39.5 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | | | cis | 72.1 | 125.9 | 18.2 | 75.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 47 | P | 44.4 | Very low | 39.5 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | cis | -127.4 | -141.5 | -9.3 | 38 | -15.1 | 0 | 0 | 0 | 111.2 | | |
| 48 | V | 39.2 | Very low | 39.5 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | | | cis | -143.6 | 141.1 | 46.6 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 49 | T | 35.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | | | trans | -114.4 | 169.3 | 170 | 58.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 50 | S | 37.4 | Very low | 38.8 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 52% | 0.517 | 73% | 0.734 | S | S | . | * | | | | 133.2 | 149.5 | 121 | 69.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 51 | K | 37.3 | Very low | 38.5 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | 73.9 | 149.4 | 160.9 | -61.2 | 141.6 | -164.7 | 148.4 | 0 | 115.8 | | |
| 52 | T | 39.3 | Very low | 38 | Very low | 127 Ų | 127 | 129 Ų | 129 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | | | cis | -142.1 | 146.7 | 6.2 | -13.4 | 0 | 0 | 0 | 0 | 113 | | |
| 53 | S | 39.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | | | trans | -42.2 | 150.8 | 164 | 50.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 54 | G | 36.6 | Very low | 37.6 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | | | trans | 169.8 | 92.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 55 | I | 41.1 | Very low | 37.4 | Very low | 182 Ų | 182 | 128.3 Ų | 128.3 | 93% | 0.933 | 75% | 0.752 | S | S | * | * | | | trans | 72.5 | 156.3 | 144.5 | -55.4 | 165.4 | 0 | 0 | 0 | 118 | | |
| 56 | S | 30 | Very low | 37.3 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | | | trans | -98.9 | 152.7 | -175.3 | -165.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 57 | P | 41.2 | Very low | 37.1 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | -128.6 | 165.1 | 90.2 | 8.4 | 14.9 | 0 | 0 | 0 | 112.1 | | |
| 58 | V | 38 | Very low | 36.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | | | cis | 83.7 | 110.1 | 37.6 | -177.7 | 0 | 0 | 0 | 0 | 114.8 | | |
| 59 | L | 34.1 | Very low | 36.3 | Very low | 153 Ų | 153 | 132.5 Ų | 132.5 | 80% | 0.801 | 77% | 0.766 | S | S | * | * | | | trans | 74.3 | 108.9 | 160.6 | -69.6 | 168.2 | 0 | 0 | 0 | 123 | | |
| 60 | S | 35.2 | Very low | 36.2 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | | | | 66.1 | 113.3 | 121.1 | -63.1 | 0 | 0 | 0 | 0 | 124.3 | | |
| 61 | R | 34.2 | Very low | 36 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | | | trans | 45.3 | 124.2 | 132.2 | -57.5 | -177.9 | -178.5 | -170.1 | 1.1 | 119.9 | | |
| 62 | L | 33.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | | | | -166.7 | 176.1 | 104.1 | -105.1 | 169.4 | 0 | 0 | 0 | 114.3 | | |
| 63 | H | 35.1 | Very low | 35.7 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 155.4 | -166 | -113.2 | -104.8 | 0 | 0 | 0 | 118.3 | | |
| 64 | P | 39.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74 | 156.7 | 151.5 | 34.3 | -34 | 0 | 0 | 0 | 111.7 | | |
| 65 | S | 36.4 | Very low | 35.3 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -94 | 163 | -161.8 | 53.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 66 | N | 35.3 | Very low | 34.8 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64 | 157.8 | 170.5 | -64.3 | -54.1 | 0 | 0 | 0 | 113.1 | | |
| 67 | V | 36.2 | Very low | 35.2 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 92% | 0.915 | 78% | 0.78 | S | S | * | * | | | trans | -123 | 136.9 | 142.1 | -171 | 0 | 0 | 0 | 0 | 107.3 | | |
| 68 | S | 35.3 | Very low | 35 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | -111.2 | 150.2 | -167.9 | 55.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 69 | N | 32.8 | Very low | 34.6 | Very low | 148 Ų | 148 | 148 Ų | 148 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | | | trans | 176.3 | 154.1 | 140.2 | -91.7 | -13.7 | 0 | 0 | 0 | 110.3 | | |
| 70 | C | 31.3 | Very low | 34.8 | Very low | 90 Ų | 90 | 148.5 Ų | 148.5 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | cis | -167.2 | 169.4 | -33 | -118.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 71 | F | 33.5 | Very low | 34.7 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | | | trans | 66.6 | 149.8 | 174.2 | -59.6 | -82.5 | 0 | 0 | 0 | 118.5 | | |
| 72 | S | 35.3 | Very low | 34.9 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | cis | -168.5 | 148.5 | -39.3 | -113.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 73 | Q | 36.3 | Very low | 34.9 | Very low | 170 Ų | 170 | 150.9 Ų | 150.9 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 41.4 | 108.6 | 145.9 | -59.2 | 170.5 | 1.2 | 0 | 0 | 117.9 | | |
| 74 | S | 31.4 | Very low | 35 | Very low | 110 Ų | 110 | 147.9 Ų | 147.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | | 60.2 | 108.9 | 66.2 | -52.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 75 | N | 34.4 | Very low | 35 | Very low | 163 Ų | 163 | 151.7 Ų | 151.7 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | | -160.2 | 143.1 | 127.3 | -109.8 | -45.8 | 0 | 0 | 0 | 112.4 | | |
| 76 | R | 30.8 | Very low | 35.1 | Very low | 241 Ų | 241 | 157.5 Ų | 157.5 | 91% | 0.909 | 79% | 0.786 | S | S | * | * | | | trans | -146.1 | 94.7 | -179.1 | -171.1 | -175.4 | -170.8 | -171.7 | 4.5 | 110.3 | | |
| 77 | V | 38.3 | Very low | 35 | Very low | 124 Ų | 124 | 155.9 Ų | 155.9 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -112.9 | 104.2 | -179.8 | -175.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 78 | Q | 37 | Very low | 35.1 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 64% | 0.64 | 78% | 0.777 | S | S | * | * | | | | 59.5 | 117 | 86.4 | -78.3 | -148.4 | 24.2 | 0 | 0 | 116.1 | | |
| 79 | R | 30.1 | Very low | 35.3 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | 51.4 | 122.5 | 143 | -53.2 | 174.2 | 173.2 | 173 | -3.6 | 117.5 | | |
| 80 | H | 37.8 | Very low | 35.5 | Very low | 164 Ų | 164 | 157.2 Ų | 157.2 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | | -165.5 | 156.7 | 71 | -109.3 | -87 | 0 | 0 | 0 | 113.5 | | |
| 81 | D | 34.8 | Very low | 35.6 | Very low | 145 Ų | 145 | 160.5 Ų | 160.5 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -73.8 | 142.4 | 167.4 | -58.9 | -95.7 | 0 | 0 | 0 | 112.9 | | |
| 82 | F | 37.1 | Very low | 35.7 | Very low | 203 Ų | 203 | 156.5 Ų | 156.5 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | | | trans | -147.1 | 146.4 | 153.6 | -101.1 | -75.3 | 0 | 0 | 0 | 111.6 | | |
| 83 | K | 33.9 | Very low | 35.8 | Very low | 202 Ų | 202 | 159.5 Ų | 159.5 | 88% | 0.878 | 80% | 0.8 | S | S | * | * | | | trans | -152.8 | 86.5 | -161.7 | -172.4 | -179.5 | -179.1 | 178 | 0 | 113.5 | | |
| 84 | S | 38.4 | Very low | 35.7 | Very low | 103 Ų | 103 | 158.1 Ų | 158.1 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | trans | -151 | 115.1 | 171.4 | 48.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 85 | K | 38.2 | Very low | 35.9 | Very low | 196 Ų | 196 | 158 Ų | 158 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | | 59.7 | 105.8 | 82.9 | -76.8 | -168.8 | 175.5 | -176.2 | 0 | 113.9 | | |
| 86 | Y | 38.6 | Very low | 36 | Very low | 238 Ų | 238 | 154 Ų | 154 | 93% | 0.933 | 78% | 0.782 | S | S | * | * | | | trans | -136 | 146.7 | 139.7 | -104.4 | -87.6 | 0 | 0 | 0 | 108.4 | | |
| 87 | S | 33.1 | Very low | 36.5 | Very low | 121 Ų | 121 | 149.7 Ų | 149.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -159.3 | 112.1 | -172.4 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 88 | S | 38 | Very low | 36.5 | Very low | 101 Ų | 101 | 150.6 Ų | 150.6 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | -175.7 | 144 | 178.4 | 49 | 0 | 0 | 0 | 0 | 109.8 | | |
| 89 | Q | 39.6 | Very low | 36.6 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | cis | -166.4 | -178.6 | -12.1 | -122.7 | -168.6 | 17.8 | 0 | 0 | 109.3 | | |
| 90 | L | 38.3 | Very low | 37.1 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | 84.7 | 135.8 | 164.6 | -51.1 | -171.8 | 0 | 0 | 0 | 119 | | |
| 91 | N | 32.8 | Very low | 37.3 | Very low | 159 Ų | 159 | 147.5 Ų | 147.5 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | | | trans | -119.2 | -151.4 | -177.7 | -60.5 | -55.4 | 0 | 0 | 0 | 109.3 | | |
| 92 | S | 35 | Very low | 37.5 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | 88.9 | 138.3 | 164.2 | 77.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 93 | L | 38.6 | Very low | 37.5 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | cis | -155.3 | 176.7 | -3.5 | -116.6 | 164.7 | 0 | 0 | 0 | 111.9 | | |
| 94 | N | 33.7 | Very low | 37.5 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -48 | 174 | -179.9 | -46.8 | -23 | 0 | 0 | 0 | 116.1 | | |
| 95 | S | 35.3 | Very low | 37.5 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -154.3 | -166.4 | 14.6 | -148.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 96 | S | 37.7 | Very low | 37.6 | Very low | 80 Ų | 80 | 143.4 Ų | 143.4 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | | | cis | -159 | 176.4 | 3.8 | -142.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 97 | Q | 41 | Very low | 37.7 | Very low | 150 Ų | 150 | 140 Ų | 140 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | 33.6 | 144.3 | 149.1 | -70.6 | 155.9 | -84.6 | 0 | 0 | 121.8 | | |
| 98 | E | 38.2 | Very low | 37.7 | Very low | 143 Ų | 143 | 142 Ų | 142 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | cis | -146.5 | 132.5 | 6.6 | -114.6 | 146.3 | -140.8 | 0 | 0 | 108.7 | | |
| 99 | I | 39.5 | Very low | 37.9 | Very low | 129 Ų | 129 | 148.6 Ų | 148.6 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | | 58.8 | 106.7 | 89.6 | -58.9 | 174.8 | 0 | 0 | 0 | 111.8 | | |
| 100 | N | 40.4 | Very low | 37.9 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 66% | 0.658 | 77% | 0.765 | S | S | * | * | | | | -153.1 | 146 | 60.8 | -94.4 | -59.6 | 0 | 0 | 0 | 115.7 | | |
| 101 | K | 41.5 | Very low | 38 | Very low | 180 Ų | 180 | 149.9 Ų | 149.9 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | | 12.2 | 144.3 | 125.7 | -56.6 | 163.3 | -166.2 | 159.9 | 0 | 118.2 | | |
| 102 | S | 39.7 | Very low | 38.3 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | | | cis | -174.2 | 150 | -1.4 | 48.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 103 | G | 35.4 | Very low | 38.7 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 168.9 | 121.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 104 | R | 35.5 | Very low | 38.7 | Very low | 224 Ų | 224 | 159.3 Ų | 159.3 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | | | trans | -65 | 143.8 | 172.7 | -51.4 | 166 | -170.1 | 159.6 | 1.6 | 108.6 | | |
| 105 | Y | 37.2 | Very low | 38.7 | Very low | 215 Ų | 215 | 157.6 Ų | 157.6 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | | -159 | 166 | 59.3 | -111.4 | -84.2 | 0 | 0 | 0 | 113.9 | | |
| 106 | I | 39.9 | Very low | 39 | Very low | 125 Ų | 125 | 162.2 Ų | 162.2 | 64% | 0.641 | 78% | 0.778 | S | S | * | * | | | trans | -95.2 | 140.2 | -179.1 | -63.7 | 162.7 | 0 | 0 | 0 | 110.9 | | |
| 107 | N | 41.6 | Very low | 38.8 | Very low | 168 Ų | 168 | 169.1 Ų | 169.1 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | -152.7 | 107.7 | 146.2 | -118 | -44.2 | 0 | 0 | 0 | 112.7 | | |
| 108 | H | 33 | Very low | 38.6 | Very low | 161 Ų | 161 | 170.2 Ų | 170.2 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -91.8 | 110.5 | 177.8 | -65.6 | -78.8 | 0 | 0 | 0 | 111.3 | | |
| 109 | R | 42.6 | Very low | 38.5 | Very low | 240 Ų | 240 | 168.4 Ų | 168.4 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | | | trans | -106.1 | 112.9 | 156.2 | -93.6 | -173 | 175.3 | -175.8 | -0 | 110.9 | I111 | R109-I111 PolarHBondContact O-N 2.92Š|
| 110 | K | 39.2 | Very low | 38.1 | Very low | 196 Ų | 196 | 172.3 Ų | 172.3 | 85% | 0.852 | 80% | 0.803 | S | S | * | * | | | trans | -73.2 | 93 | -178.2 | -65.9 | 172.7 | -179.4 | 171.3 | 0 | 110 | R112 | K110-R112 VanDerWaalsContact C-N 3.27Å; K110-R112 PolarHBondContact O-N 3.37Å |
| 111 | I | 40.8 | Very low | 38 | Very low | 151 Ų | 151 | 174.3 Ų | 174.3 | 77% | 0.774 | 81% | 0.806 | S | S | * | * | | | trans | -67.8 | 87.9 | 170 | -57.3 | 178.8 | 0 | 0 | 0 | 108.6 | R109 K113 | R109-I111 PolarHBondContact O-N 2.92Å; I111-K113 HydrophobicContact CG2-CG 4.35Å; I111-K113 PolarHBondContact O-N 2.99Å |
| 112 | R | 39.4 | Very low | 37.7 | Very low | 229 Ų | 229 | 172.6 Ų | 172.6 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -74.1 | 79.1 | 177 | -169.3 | 176.1 | -172.9 | 171.3 | 2.6 | 109.1 | K110 K114 | K110-R112 VanDerWaalsContact C-N 3.27Å; K110-R112 PolarHBondContact O-N 3.37Å; R112-K114 PolarHBondContact O-N 2.98Å |
| 113 | K | 41.6 | Very low | 37.7 | Very low | 189 Ų | 189 | 174.7 Ų | 174.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -50.7 | 96.8 | 173.7 | -79.3 | -173.3 | 174.4 | -178.8 | 0 | 109.9 | I111 S115 | I111-K113 HydrophobicContact CG2-CG 4.35Å; I111-K113 PolarHBondContact O-N 2.99Å; K113-S115 PolarHBondContact O-N 3.12Å |
| 114 | K | 38.9 | Very low | 37.6 | Very low | 194 Ų | 194 | 178.4 Ų | 178.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 87.8 | 162.6 | -83.6 | -175.5 | 175.5 | 176.1 | 0 | 106.8 | R112 K116 | R112-K114 PolarHBondContact O-N 2.98Å; K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 3.47Å |
| 115 | S | 34.4 | Very low | 37.7 | Very low | 107 Ų | 107 | 170 Ų | 170 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -58.8 | 100.8 | 165 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | K113 R117 | K113-S115 PolarHBondContact O-N 3.12Å; S115-R117 PolarHBondContact O-N 3.16Å |
| 116 | K | 40.5 | Very low | 37.5 | Very low | 203 Ų | 203 | 166.4 Ų | 166.4 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -71 | 85.5 | 171.5 | -173.3 | -177.9 | 180 | -172.2 | 0 | 105.6 | K114 E118 | K114-K116 VanDerWaalsContact C-N 3.33Å; K114-K116 PolarHBondContact O-N 3.47Å; K116-E118 VanDerWaalsContact C-N 3.27Å; K116-E118 PolarHBondContact O-N 3.24Å |
| 117 | R | 34.3 | Very low | 37.7 | Very low | 225 Ų | 225 | 167.6 Ų | 167.6 | 85% | 0.849 | 78% | 0.784 | S | S | * | * | | | trans | -61.9 | 91.9 | -179.2 | -175.7 | -179.3 | -174.8 | 176.3 | 1.7 | 108.4 | S115 T119 | S115-R117 PolarHBondContact O-N 3.16Å; R117-T119 PolarHBondContact O-N 3.44Å; R117-T119 VanDerWaalsContact O-N 3.11Å |
| 118 | E | 37.6 | Very low | 37.4 | Very low | 174 Ų | 174 | 165.2 Ų | 165.2 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | trans | -61.3 | 113.5 | 178 | -174.1 | 155.6 | -162.9 | 0 | 0 | 108.6 | K116 R120 | K116-E118 VanDerWaalsContact C-N 3.27Å; K116-E118 PolarHBondContact O-N 3.24Å; E118-R120 PolarHBondContact O-N 3.2Å |
| 119 | T | 35.7 | Very low | 37.8 | Very low | 105 Ų | 105 | 165.8 Ų | 165.8 | 64% | 0.644 | 77% | 0.774 | S | S | * | * | | | trans | -76.1 | 75.1 | 178.9 | 47.3 | 0 | 0 | 0 | 0 | 108.6 | R117 F121 | R117-T119 PolarHBondContact O-N 3.44Å; R117-T119 VanDerWaalsContact O-N 3.11Å; T119-F121 VanDerWaalsContact C-N 3.28Å; T119-F121 WeakPolarHBondContact O-CD2 3.44Å; T119-F121 PolarHBondContact O-N 2.85Å |
| 120 | R | 31.8 | Very low | 37.7 | Very low | 211 Ų | 211 | 160.6 Ų | 160.6 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | -59.6 | 92.9 | 166.4 | -168.4 | -177.2 | -158.9 | -171.1 | 7.5 | 107.5 | E118 Q122 | E118-R120 PolarHBondContact O-N 3.2Å; R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.28Å |
| 121 | F | 37.2 | Very low | 37.8 | Very low | 165 Ų | 165 | 159.8 Ų | 159.8 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | -66.6 | 89.4 | 173.1 | -78 | -84.4 | 0 | 0 | 0 | 108.3 | T119 M123 | T119-F121 VanDerWaalsContact C-N 3.28Å; T119-F121 WeakPolarHBondContact O-CD2 3.44Å; T119-F121 PolarHBondContact O-N 2.85Å; F121-M123 VanDerWaalsContact C-N 3.26Å; F121-M123 PolarHBondContact O-N 3.39Å |
| 122 | Q | 34.8 | Very low | 38.2 | Very low | 143 Ų | 143 | 159.7 Ų | 159.7 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | -67.2 | 90.9 | 165.9 | -75.3 | -176.2 | -50.6 | 0 | 0 | 108 | R120 N124 | R120-Q122 VanDerWaalsContact C-N 3.26Å; R120-Q122 PolarHBondContact O-N 3.28Å; Q122-N124 PolarHBondContact O-N 3.12Å |
| 123 | M | 40.4 | Very low | 38.3 | Very low | 167 Ų | 167 | 154.7 Ų | 154.7 | 82% | 0.823 | 76% | 0.757 | S | S | * | * | | | trans | -75 | 83.2 | 166.3 | -65.3 | -166.3 | 177.2 | 0 | 0 | 107.7 | F121 G125 | F121-M123 VanDerWaalsContact C-N 3.26Å; F121-M123 PolarHBondContact O-N 3.39Å; M123-G125 PolarHBondContact O-N 3.12Å |
| 124 | N | 34 | Very low | 38.4 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -71.5 | 72.5 | 170.7 | -73.3 | 7.5 | 0 | 0 | 0 | 109.3 | Q122 | Q122-N124 PolarHBondContact O-N 3.12Š|
| 125 | G | 37.2 | Very low | 38.7 | Very low | 48 Ų | 48 | 150.4 Ų | 150.4 | 50% | 0.495 | 74% | 0.743 | S | S | . | * | | | trans | -130.7 | 125.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | M123 M127 | M123-G125 PolarHBondContact O-N 3.12Å; G125-M127 PolarHBondContact O-N 3.05Å |
| 126 | N | 32.9 | Very low | 39.2 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | -70.7 | 115.4 | -170.7 | -163.5 | 40.7 | 0 | 0 | 0 | 110.6 | D128 | N126-D128 PolarHBondContact ND2-OD2 3.12Š|
| 127 | M | 43 | Very low | 39.3 | Very low | 151 Ų | 151 | 144.5 Ų | 144.5 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | | | trans | -120.1 | 63 | -177.4 | -75.2 | -73 | 162.2 | 0 | 0 | 109.3 | G125 | G125-M127 PolarHBondContact O-N 3.05Š|
| 128 | D | 35.9 | Very low | 39.5 | Very low | 117 Ų | 117 | 140 Ų | 140 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | | | trans | -68.7 | 146.3 | 171.5 | -77.4 | -46.8 | 0 | 0 | 0 | 111 | N126 | N126-D128 PolarHBondContact ND2-OD2 3.12Š|
| 129 | Q | 42.3 | Very low | 39.6 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | S | Bend | trans | 82.5 | 100.6 | 169.1 | -52.2 | 177.5 | 25 | 0 | 0 | 118.1 | | |
| 130 | N | 39.4 | Very low | 39.6 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | | | trans | 64.1 | 46.4 | 145.5 | -74.9 | 15.2 | 0 | 0 | 0 | 121.7 | H132 | N130-H132 PolarHBondContact O-N 3.33Å; N130-H132 VanDerWaalsContact O-N 3.13Å |
| 131 | F | 41.8 | Very low | 39.9 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | | | trans | -77.6 | 86.4 | 154.1 | -72.9 | -73.2 | 0 | 0 | 0 | 111.9 | | |
| 132 | H | 48.7 | Very low | 40 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | | | trans | -83 | 123.7 | 169.7 | -63.8 | -58.2 | 0 | 0 | 0 | 111.3 | N130 L134 | N130-H132 PolarHBondContact O-N 3.33Å; N130-H132 VanDerWaalsContact O-N 3.13Å; H132-L134 PolarHBondContact O-N 2.93Å |
| 133 | S | 42 | Very low | 40.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 70% | 0.703 | S | S | * | * | | | trans | -66 | 100 | 174.1 | -60 | 0 | 0 | 0 | 0 | 111.3 | K135 | S133-K135 PolarHBondContact O-N 3.38Å; S133-K135 VanDerWaalsContact O-N 3.15Å |
| 134 | L | 43.9 | Very low | 40.1 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 64% | 0.644 | 70% | 0.702 | S | S | * | * | | | trans | -78.9 | 100.7 | -171.9 | -154.7 | 162.8 | 0 | 0 | 0 | 111.3 | H132 V136 | H132-L134 PolarHBondContact O-N 2.93Å; L134-V136 HydrophobicContact CD2-CG2 3.92Å; L134-V136 PolarHBondContact O-N 3.3Å |
| 135 | K | 45.7 | Very low | 40.2 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 74% | 0.739 | 70% | 0.697 | S | S | * | * | | | trans | -73.7 | 77.9 | -175.9 | -169.8 | 175.3 | -179 | 174 | 0 | 112.9 | S133 T137 | S133-K135 PolarHBondContact O-N 3.38Å; S133-K135 VanDerWaalsContact O-N 3.15Å; K135-T137 PolarHBondContact O-N 3.39Å; K135-T137 PolarHBondContact O-OG1 3.39Å |
| 136 | V | 43.2 | Very low | 40.4 | Very low | 79 Ų | 79 | 144.2 Ų | 144.2 | 48% | 0.479 | 72% | 0.717 | S | S | . | * | | | trans | -60.4 | 121 | 177.9 | -178 | 0 | 0 | 0 | 0 | 111 | L134 I138 | L134-V136 HydrophobicContact CD2-CG2 3.92Å; L134-V136 PolarHBondContact O-N 3.3Å; V136-I138 HydrophobicContact CG1-CG1 4.25Å |
| 137 | T | 42.9 | Very low | 40.5 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | | | trans | -119.6 | 111.3 | -179.6 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | K135 | K135-T137 PolarHBondContact O-N 3.39Å; K135-T137 PolarHBondContact O-OG1 3.39Å |
| 138 | I | 38.4 | Very low | 40.4 | Very low | 130 Ų | 130 | 146.9 Ų | 146.9 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | | | trans | -96.3 | 108.6 | -178.7 | -57 | 177.9 | 0 | 0 | 0 | 110.1 | V136 | V136-I138 HydrophobicContact CG1-CG1 4.25Š|
| 139 | R | 40.1 | Very low | 40.4 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 59% | 0.592 | 74% | 0.737 | S | S | * | * | | | trans | -81.6 | 144 | 173.3 | -74.1 | 178.7 | 166.8 | 161.8 | -4.6 | 111 | T841 | R139-T841 PolarHBondContact NH1-OG1 3.35Š|
| 140 | R | 35 | Very low | 40 | Very low | 148 Ų | 148 | 144.2 Ų | 144.2 | 56% | 0.558 | 73% | 0.732 | S | S | * | * | | | trans | -128.5 | 130.2 | 166 | -89.7 | -172.5 | 172 | -173.8 | -3.5 | 108.4 | M282 | R140-M282 PolarHBondContact NH2-SD 2.93Å; R140-M282 VanDerWaalsContact NH2-SD 3.45Å |
| 141 | T | 38.2 | Very low | 39.9 | Very low | 140 Ų | 140 | 145.8 Ų | 145.8 | 86% | 0.859 | 74% | 0.739 | S | S | * | * | | | trans | -87.2 | 138.8 | 168.9 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 142 | Y | 40.1 | Very low | 39.3 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -91.3 | 119.3 | 172.6 | -64.7 | -68.3 | 0 | 0 | 0 | 109.4 | | |
| 143 | K | 38.7 | Very low | 38.6 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | | | trans | -101.5 | 115.4 | 154.1 | -74 | -157 | 171.7 | -158.4 | 0 | 107.9 | N145 | K143-N145 PolarHBondContact O-N 2.98Š|
| 144 | S | 37.8 | Very low | 38.1 | Very low | 114 Ų | 114 | 142.6 Ų | 142.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | -77.1 | 83.6 | 179.1 | 37.5 | 0 | 0 | 0 | 0 | 110.5 | K146 | S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.37Å |
| 145 | N | 37.9 | Very low | 37.7 | Very low | 138 Ų | 138 | 143.2 Ų | 143.2 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -67.6 | 88.1 | 165.1 | -81.5 | 17.8 | 0 | 0 | 0 | 109.4 | K143 M147 | K143-N145 PolarHBondContact O-N 2.98Å; N145-M147 PolarHBondContact O-N 3.05Å |
| 146 | K | 39.6 | Very low | 37.2 | Very low | 206 Ų | 206 | 141.9 Ų | 141.9 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | -64 | 91.9 | 154.8 | -78.4 | -171.9 | 173.7 | -173.6 | 0 | 107.4 | S144 E148 | S144-K146 VanDerWaalsContact C-N 3.26Å; S144-K146 PolarHBondContact O-N 3.37Å; K146-E148 PolarHBondContact O-N 2.84Å |
| 147 | M | 37.1 | Very low | 36.8 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 80% | 0.803 | 77% | 0.769 | S | S | * | * | | | trans | -77.6 | 99.2 | 163.6 | -76.3 | -174.8 | 62.6 | 0 | 0 | 107.8 | N145 | N145-M147 PolarHBondContact O-N 3.05Š|
| 148 | E | 40.1 | Very low | 36.8 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | trans | -78.7 | 140.1 | 167 | -170.1 | 157.2 | -153.6 | 0 | 0 | 109.1 | K146 G150 | K146-E148 PolarHBondContact O-N 2.84Å; E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.02Å |
| 149 | N | 34.7 | Very low | 36.7 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | | | trans | -79.2 | 77.9 | -171.1 | -76 | -18.7 | 0 | 0 | 0 | 111.5 | | |
| 150 | G | 35.5 | Very low | 36.5 | Very low | 68 Ų | 68 | 142 Ų | 142 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -114.7 | 102.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E148 | E148-G150 VanDerWaalsContact C-N 3.33Å; E148-G150 PolarHBondContact O-N 3.02Å |
| 151 | I | 36.2 | Very low | 36.6 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 84% | 0.841 | 80% | 0.797 | S | S | * | * | | | trans | 2.9 | 120.9 | 162.3 | -56.5 | 171.7 | 0 | 0 | 0 | 116.9 | | |
| 152 | C | 29.2 | Very low | 36.6 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | | | trans | -74.3 | 127.3 | 166.2 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 153 | A | 34.6 | Very low | 36.3 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | -133.7 | 128.5 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 154 | I | 31.9 | Very low | 36.2 | Very low | 162 Ų | 162 | 137.1 Ų | 137.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -102.5 | 110.3 | -179.2 | -58.6 | 166.5 | 0 | 0 | 0 | 108.3 | | |
| 155 | V | 35.3 | Very low | 36.1 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -141.7 | 140.4 | 160.6 | -173.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 156 | N | 35.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | -79.2 | 148.6 | -177.7 | -49.8 | -56.5 | 0 | 0 | 0 | 111.6 | P158 | N156-P158 WeakPolarHBondContact O-CD 3.43Š|
| 157 | T | 34.9 | Very low | 35.8 | Very low | 129 Ų | 129 | 132.8 Ų | 132.8 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -94.7 | 114.3 | 166.7 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 158 | P | 42.8 | Very low | 35.6 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | | | trans | -88.3 | 111.1 | 162 | 32.5 | -27.9 | 0 | 0 | 0 | 109.8 | N156 G160 | N156-P158 WeakPolarHBondContact O-CD 3.43Å; P158-G160 PolarHBondContact O-N 2.76Å |
| 159 | D | 37 | Very low | 35.5 | Very low | 166 Ų | 166 | 129.7 Ų | 129.7 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | | | trans | -68.1 | 124.4 | 162.5 | -73.7 | -52.2 | 0 | 0 | 0 | 108.8 | | |
| 160 | G | 35.2 | Very low | 35.6 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 75% | 0.752 | S | S | * | * | | | trans | 163 | 78 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | P158 | P158-G160 PolarHBondContact O-N 2.76Š|
| 161 | S | 35.9 | Very low | 35.7 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | 76.8 | 142.9 | 136.2 | 81.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 162 | I | 38.9 | Very low | 35.7 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 72% | 0.723 | 74% | 0.743 | S | S | * | * | | | trans | 77.4 | 92.2 | 145.9 | -62.2 | 156.4 | 0 | 0 | 0 | 118.8 | | |
| 163 | N | 34.4 | Very low | 36.1 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | | | | 78.1 | 126.8 | 122.6 | -65.3 | 6.2 | 0 | 0 | 0 | 124.5 | | |
| 164 | H | 35.8 | Very low | 36.3 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 87.6 | 139.6 | 132.4 | -91.3 | -92.2 | 0 | 0 | 0 | 124.1 | | |
| 165 | D | 35 | Very low | 36.6 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | | | trans | 72.3 | 81.7 | 147 | -58 | -20.2 | 0 | 0 | 0 | 123.9 | | |
| 166 | I | 38 | Very low | 37 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | | | | 43 | 114.3 | 104.5 | -54.2 | 164.4 | 0 | 0 | 0 | 118.6 | | |
| 167 | S | 34.3 | Very low | 37.4 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | | | trans | -177.5 | 108.6 | 132.3 | -92.6 | 0 | 0 | 0 | 0 | 112 | | |
| 168 | C | 32.9 | Very low | 37.6 | Very low | 86 Ų | 86 | 125.2 Ų | 125.2 | 58% | 0.581 | 72% | 0.716 | S | S | * | * | | | | 73.6 | 115.3 | 85 | 87.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 169 | K | 37.6 | Very low | 37.3 | Very low | 194 Ų | 194 | 124 Ų | 124 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | | | | 171.6 | 162.1 | 88.8 | -91.8 | 145.5 | -177.7 | 157.7 | 0 | 107.4 | | |
| 170 | S | 36.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 121.3 Ų | 121.3 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | | | cis | -161.6 | 149.8 | -4.4 | 177.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 171 | L | 36.9 | Very low | 37.3 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | | | | -172.1 | 146.6 | 78.5 | -107.8 | 90.3 | 0 | 0 | 0 | 110 | | |
| 172 | N | 37.3 | Very low | 37.5 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 64% | 0.642 | 71% | 0.714 | S | S | * | * | | | trans | 51.2 | 140.5 | 140 | -59.5 | 12.4 | 0 | 0 | 0 | 121.1 | | |
| 173 | H | 37.1 | Very low | 37.3 | Very low | 154 Ų | 154 | 127 Ų | 127 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | | | cis | -158.9 | 134.7 | 2.9 | -119.7 | -54.7 | 0 | 0 | 0 | 112.5 | | |
| 174 | T | 38.6 | Very low | 37 | Very low | 124 Ų | 124 | 125.9 Ų | 125.9 | 76% | 0.761 | 72% | 0.719 | S | S | * | * | | | trans | 59.5 | 119.9 | 145.3 | -31.7 | 0 | 0 | 0 | 0 | 123.4 | | |
| 175 | G | 39.1 | Very low | 37 | Very low | 62 Ų | 62 | 126.8 Ų | 126.8 | 64% | 0.639 | 72% | 0.724 | S | S | * | * | | | trans | 92.6 | 138.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 176 | D | 43.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | cis | -161.3 | 147.5 | -12.3 | -102.9 | -43.9 | 0 | 0 | 0 | 110.4 | | |
| 177 | N | 43 | Very low | 36.8 | Very low | 125 Ų | 125 | 128 Ų | 128 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | | | trans | 31.4 | 148.9 | 143.5 | -48.9 | -47.7 | 0 | 0 | 0 | 121.6 | | |
| 178 | N | 40.5 | Very low | 36.7 | Very low | 141 Ų | 141 | 129.9 Ų | 129.9 | 75% | 0.754 | 73% | 0.731 | S | S | * | * | | | cis | 179 | 170 | -9.2 | -98.6 | -24.4 | 0 | 0 | 0 | 106.8 | | |
| 179 | S | 35.8 | Very low | 36.8 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | | | cis | -173.9 | 169.5 | -15.1 | 52 | 0 | 0 | 0 | 0 | 109.4 | | |
| 180 | S | 40.7 | Very low | 36.5 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | | | trans | 71.1 | 137.7 | 175.7 | 76.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 181 | T | 31.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 76% | 0.761 | 75% | 0.748 | S | S | * | * | | | cis | 92.2 | 87.1 | -0.5 | -36.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 182 | T | 40.1 | Very low | 36.7 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 83% | 0.828 | 75% | 0.749 | S | S | * | * | | | trans | -155.7 | 112 | 146.8 | 45.6 | 0 | 0 | 0 | 0 | 105.9 | | |
| 183 | Q | 34.1 | Very low | 36.5 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | | 66.8 | 131.4 | 56.2 | -77.5 | -160.7 | -12.2 | 0 | 0 | 116.4 | | |
| 184 | C | 28.8 | Very low | 36.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | trans | 68.8 | 151.5 | 169 | -60 | 0 | 0 | 0 | 0 | 117 | | |
| 185 | E | 35.3 | Very low | 36.5 | Very low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | cis | -146.6 | 175.4 | 2.5 | -140.3 | 167 | 134.1 | 0 | 0 | 113.7 | | |
| 186 | T | 30.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | | | trans | -95.8 | 134.6 | -173 | -53.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 187 | Q | 37.8 | Very low | 36.5 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | trans | -169.5 | 118.2 | 144.5 | -100.9 | 143.2 | 104.2 | 0 | 0 | 108.3 | | |
| 188 | L | 32.7 | Very low | 36 | Very low | 144 Ų | 144 | 148.4 Ų | 148.4 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | | 61.8 | 100.5 | 78.7 | -90.6 | 171.2 | 0 | 0 | 0 | 114.7 | | |
| 189 | Y | 35.6 | Very low | 36 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | -158.6 | 151.7 | 135 | -125 | -90.8 | 0 | 0 | 0 | 109.9 | | |
| 190 | N | 31 | Very low | 36.3 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 80% | 0.802 | 75% | 0.752 | S | S | * | * | | | trans | -134.6 | 100.6 | -177.7 | -97.1 | -52.3 | 0 | 0 | 0 | 110.9 | | |
| 191 | E | 40.5 | Very low | 36.4 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | | | trans | -144.8 | 150.5 | 160.9 | -69.9 | -171.8 | 99.6 | 0 | 0 | 108.3 | | |
| 192 | K | 37 | Very low | 36.9 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | cis | 145.3 | 123.6 | -21.5 | 169.2 | -178.8 | 174.5 | -166.9 | 0 | 106.5 | | |
| 193 | L | 33.3 | Very low | 36.9 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | | | trans | 63.8 | 151.1 | -170.6 | -82.2 | 72.7 | 0 | 0 | 0 | 112.3 | | |
| 194 | D | 41 | Very low | 37.1 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | | | cis | -131.9 | 140.1 | -7.8 | -92.6 | -41.8 | 0 | 0 | 0 | 108 | | |
| 195 | Q | 34.6 | Very low | 37.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | | | | 54.4 | 82.3 | 85.5 | -168.7 | 169.8 | 10.2 | 0 | 0 | 114.2 | | |
| 196 | D | 38.8 | Very low | 38 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | trans | -143.9 | 143.8 | 171.2 | -124.8 | -23.4 | 0 | 0 | 0 | 115.9 | | |
| 197 | V | 43.9 | Very low | 38.4 | Very low | 120 Ų | 120 | 146.6 Ų | 146.6 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | 27 | 108.6 | 169.8 | -168.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 198 | Y | 33.3 | Very low | 38.5 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 132.3 | 156.6 | -151.2 | -103.5 | 0 | 0 | 0 | 110.9 | P200 | Y198-P200 HydrophobicContact CD1-CB 4.41Å; Y198-P200 HydrophobicContact CD1-CG 4.39Å; Y198-P200 HydrophobicContact CE1-CB 4.25Å |
| 199 | N | 38.6 | Very low | 38.5 | Very low | 100 Ų | 100 | 145.7 Ų | 145.7 | 54% | 0.535 | 73% | 0.733 | S | S | . | * | | | trans | -131.6 | 105.4 | 164.7 | -171.4 | -20.1 | 0 | 0 | 0 | 110.9 | E201 | N199-E201 PolarHBondContact OD1-N 3.44Š|
| 200 | P | 42.3 | Very low | 38.5 | Very low | 82 Ų | 82 | 141.2 Ų | 141.2 | 53% | 0.532 | 73% | 0.731 | S | S | . | * | | | trans | -86.6 | -8.5 | -176.7 | 35 | -34 | 0 | 0 | 0 | 114.2 | Y198 L202 | Y198-P200 HydrophobicContact CD1-CB 4.41Å; Y198-P200 HydrophobicContact CD1-CG 4.39Å; Y198-P200 HydrophobicContact CE1-CB 4.25Å; P200-L202 PolarHBondContact O-N 2.83Å |
| 201 | E | 43.1 | Very low | 38.7 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -12.9 | -165.3 | -60.1 | -165.3 | 140 | 0 | 0 | 114.7 | N199 S204 | N199-E201 PolarHBondContact OD1-N 3.44Å; E201-S204 PolarHBondContact O-OG 2.7Å; E201-S204 VanDerWaalsContact O-OG 3.04Å |
| 202 | L | 42.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6.2 | -178.4 | -63.4 | -177.8 | 0 | 0 | 0 | 114.7 | P200 | P200-L202 PolarHBondContact O-N 2.83Š|
| 203 | L | 41.1 | Very low | 38.7 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -90.1 | -20.9 | 175 | -72 | 172.9 | 0 | 0 | 0 | 113.4 | A205 | L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 2.71Å |
| 204 | S | 38.3 | Very low | 38.8 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -14.2 | 178.4 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | E201 | E201-S204 PolarHBondContact O-OG 2.7Å; E201-S204 VanDerWaalsContact O-OG 3.04Å |
| 205 | A | 40.4 | Very low | 38.6 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | -11.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L203 | L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 2.71Å |
| 206 | F | 40.9 | Very low | 38.8 | Very low | 185 Ų | 185 | 135 Ų | 135 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -117.6 | -12.1 | -172.1 | -75.5 | -74.4 | 0 | 0 | 0 | 115.9 | K208 | F206-K208 PolarHBondContact O-N 2.81Å; F206-K208 VanDerWaalsContact O-N 3.09Å |
| 207 | E | 38.8 | Very low | 38.6 | Very low | 171 Ų | 171 | 133.2 Ų | 133.2 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | trans | -80.2 | 88 | 169.8 | -70.5 | -159.9 | 125.3 | 0 | 0 | 110.8 | P209 | E207-P209 WeakPolarHBondContact O-CD 3.43Š|
| 208 | K | 40.6 | Very low | 38.2 | Very low | 188 Ų | 188 | 130.6 Ų | 130.6 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | | | trans | -55.1 | 125.6 | 166.1 | -78.7 | -176.3 | 175.6 | 178.3 | 0 | 109.3 | F206 C210 | F206-K208 PolarHBondContact O-N 2.81Å; F206-K208 VanDerWaalsContact O-N 3.09Å; K208-C210 PolarHBondContact O-N 2.95Å |
| 209 | P | 32.9 | Very low | 38.9 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 72% | 0.721 | 68% | 0.679 | S | S | * | * | | | trans | -64.7 | 94.4 | 176.7 | -23.9 | 35.4 | 0 | 0 | 0 | 111.5 | E207 H211 | E207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-H211 VanDerWaalsContact C-N 3.33Å; P209-H211 PolarHBondContact O-CD2 2.99Å; P209-H211 PolarHBondContact O-N 3.29Å |
| 210 | C | 35.8 | Very low | 39.5 | Very low | 115 Ų | 115 | 121.8 Ų | 121.8 | 78% | 0.777 | 68% | 0.677 | S | S | * | * | | | trans | -67 | 95.2 | 166.2 | -68.5 | 0 | 0 | 0 | 0 | 108 | K208 F212 | K208-C210 PolarHBondContact O-N 2.95Å; C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.87Å |
| 211 | H | 34.7 | Very low | 39.5 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 79% | 0.787 | 68% | 0.675 | S | S | * | * | | | trans | -56.8 | 93.4 | 174.3 | -80.1 | -98.3 | 0 | 0 | 0 | 109.9 | P209 V213 | P209-H211 VanDerWaalsContact C-N 3.33Å; P209-H211 PolarHBondContact O-CD2 2.99Å; P209-H211 PolarHBondContact O-N 3.29Å; H211-V213 PolarHBondContact O-N 3.37Å |
| 212 | F | 40.7 | Very low | 39.5 | Very low | 192 Ų | 192 | 118.8 Ų | 118.8 | 84% | 0.842 | 67% | 0.667 | S | S | * | * | | | trans | -78.6 | 79.2 | 179.3 | -148.3 | -79.6 | 0 | 0 | 0 | 107.9 | C210 D214 | C210-F212 VanDerWaalsContact C-N 3.31Å; C210-F212 PolarHBondContact O-N 2.87Å; F212-D214 PolarHBondContact O-N 3.34Å |
| 213 | V | 36.3 | Very low | 39.7 | Very low | 114 Ų | 114 | 115 Ų | 115 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | | | trans | -58 | 111.1 | -179 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | H211 S215 | H211-V213 PolarHBondContact O-N 3.37Å; V213-S215 PolarHBondContact O-N 3.43Å; V213-S215 PolarHBondContact O-OG 3.17Å |
| 214 | D | 35.4 | Very low | 40.1 | Very low | 122 Ų | 122 | 112.9 Ų | 112.9 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | | | trans | -67.9 | 86.6 | -178.6 | -121.2 | -20.6 | 0 | 0 | 0 | 108.8 | F212 S216 | F212-D214 PolarHBondContact O-N 3.34Å; D214-S216 PolarHBondContact O-N 3.35Å; D214-S216 PolarHBondContact O-OG 2.75Å |
| 215 | S | 37.2 | Very low | 40.7 | Very low | 103 Ų | 103 | 115.5 Ų | 115.5 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | | | trans | -69.2 | 61.2 | 171.5 | -64 | 0 | 0 | 0 | 0 | 109.8 | V213 T217 | V213-S215 PolarHBondContact O-N 3.43Å; V213-S215 PolarHBondContact O-OG 3.17Å; S215-T217 PolarHBondContact O-N 3.42Å |
| 216 | S | 38.8 | Very low | 41.1 | Very low | 97 Ų | 97 | 114.8 Ų | 114.8 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | | | trans | -74.8 | 78.3 | 177 | 50.7 | 0 | 0 | 0 | 0 | 108.4 | D214 S218 | D214-S216 PolarHBondContact O-N 3.35Å; D214-S216 PolarHBondContact O-OG 2.75Å; S216-S218 PolarHBondContact O-N 3.14Å |
| 217 | T | 35.6 | Very low | 41.8 | Very low | 115 Ų | 115 | 112.5 Ų | 112.5 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | | | trans | -57.9 | 101.9 | 175.1 | -42.3 | 0 | 0 | 0 | 0 | 108.9 | S215 T219 | S215-T217 PolarHBondContact O-N 3.42Å; T217-T219 PolarHBondContact O-N 3.43Å |
| 218 | S | 36 | Very low | 42.7 | Very low | 66 Ų | 66 | 106 Ų | 106 | 46% | 0.462 | 61% | 0.607 | S | S | . | * | | | trans | -67.3 | 96.7 | 179.8 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | S216 V220 | S216-S218 PolarHBondContact O-N 3.14Å; S218-V220 PolarHBondContact O-N 3.34Å; S218-V220 VanDerWaalsContact O-N 3.11Å; S218-V220 WeakPolarHBondContact OG-CB 3.45Å; S218-V220 WeakPolarHBondContact OG-CG2 3.29Å |
| 219 | T | 47.5 | Very low | 43.7 | Very low | 47 Ų | 47 | 102.9 Ų | 102.9 | 29% | 0.288 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.1 | 10.1 | 171.8 | 63.3 | 0 | 0 | 0 | 0 | 112.6 | T217 V241 | T217-T219 PolarHBondContact O-N 3.43Å; T219-V241 PolarHBondContact OG1-N 2.83Å |
| 220 | V | 50.7 | Low | 44.8 | Very low | 81 Ų | 81 | 104.1 Ų | 104.1 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.6 | -37.4 | -178.5 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | S218 T224 | S218-V220 PolarHBondContact O-N 3.34Å; S218-V220 VanDerWaalsContact O-N 3.11Å; S218-V220 WeakPolarHBondContact OG-CB 3.45Å; S218-V220 WeakPolarHBondContact OG-CG2 3.29Å; V220-T224 WeakPolarHBondContact O-CG2 3.43Å |
| 221 | D | 41.7 | Very low | 46.2 | Very low | 91 Ų | 91 | 102.1 Ų | 102.1 | 49% | 0.487 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -103.7 | -30.5 | -172.8 | -60.5 | -64.6 | 0 | 0 | 0 | 114.6 | A223 T224 L225 | D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.16Å; D221-T224 WeakPolarHBondContact CA-OG1 3.28Å; D221-T224 PolarHBondContact O-N 3.22Å; D221-T224 VanDerWaalsContact O-N 3.08Å; D221-T224 PolarHBondContact O-OG1 3.19Å; D221-L225 PolarHBondContact O-N 3.33Å |
| 222 | S | 43.3 | Very low | 48.1 | Very low | 78 Ų | 78 | 96.2 Ų | 96.2 | 55% | 0.545 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -26.2 | 178.4 | -47.7 | 0 | 0 | 0 | 0 | 113.2 | T226 | S222-T226 PolarHBondContact O-OG1 2.62Å |
| 223 | A | 47.5 | Very low | 49.9 | Very low | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -0.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D221 | D221-A223 PolarHBondContact O-N 3.3Å; D221-A223 VanDerWaalsContact O-N 3.16Å |
| 224 | T | 49.6 | Very low | 51.8 | Low | 104 Ų | 104 | 88.9 Ų | 88.9 | 64% | 0.638 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | -25.3 | 174.6 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | V220 D221 | V220-T224 WeakPolarHBondContact O-CG2 3.43Å; D221-T224 WeakPolarHBondContact CA-OG1 3.28Å; D221-T224 PolarHBondContact O-N 3.22Å; D221-T224 VanDerWaalsContact O-N 3.08Å; D221-T224 PolarHBondContact O-OG1 3.19Å |
| 225 | L | 50.1 | Low | 53.9 | Low | 148 Ų | 148 | 89.5 Ų | 89.5 | 78% | 0.775 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -81.7 | -13.8 | 173.5 | -89.9 | 163 | 0 | 0 | 0 | 114.9 | D221 | D221-L225 PolarHBondContact O-N 3.33Š|
| 226 | T | 48.6 | Very low | 56 | Low | 61 Ų | 61 | 89.3 Ų | 89.3 | 37% | 0.374 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -128 | 143.6 | 176.3 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | S222 | S222-T226 PolarHBondContact O-OG1 2.62Š|
| 227 | E | 55.1 | Low | 57.9 | Low | 136 Ų | 136 | 87.2 Ų | 87.2 | 64% | 0.636 | 53% | 0.529 | S | S | * | . | | | trans | -52.5 | 125.4 | 171.9 | -82.6 | -85.3 | 148.8 | 0 | 0 | 109.2 | D229 L230 | E227-D229 PolarHBondContact O-N 2.87Å; E227-L230 HydrophobicContact CB-CD1 3.83Å; E227-L230 HydrophobicContact CB-CG 3.84Å; E227-L230 WeakPolarHBondContact O-CB 3.33Å; E227-L230 PolarHBondContact O-N 3.22Å |
| 228 | P | 57.8 | Low | 59.9 | Low | 36 Ų | 36 | 85.3 Ų | 85.3 | 23% | 0.234 | 52% | 0.517 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -18.3 | -166.5 | 23.6 | -34.1 | 0 | 0 | 0 | 114.2 | R261 | P228-R261 HydrophobicContact CB-CB 3.82Å; P228-R261 HydrophobicContact CB-CG 3.73Å; P228-R261 WeakPolarHBondContact O-CD 3.34Å; P228-R261 PolarHBondContact O-NE 3.14Å |
| 229 | D | 62.5 | Low | 61.8 | Low | 121 Ų | 121 | 88.2 Ų | 88.2 | 65% | 0.647 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -16.3 | 176 | -68.3 | -32.5 | 0 | 0 | 0 | 113.3 | E227 | E227-D229 PolarHBondContact O-N 2.87Š|
| 230 | L | 56.6 | Low | 63.3 | Low | 138 Ų | 138 | 89.3 Ų | 89.3 | 72% | 0.723 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -33.5 | 172.1 | -63.3 | 178.2 | 0 | 0 | 0 | 111.7 | E227 G232 | E227-L230 HydrophobicContact CB-CD1 3.83Å; E227-L230 HydrophobicContact CB-CG 3.84Å; E227-L230 WeakPolarHBondContact O-CB 3.33Å; E227-L230 PolarHBondContact O-N 3.22Å; L230-G232 PolarHBondContact O-N 3.32Å |
| 231 | L | 64.3 | Low | 64.9 | Low | 72 Ų | 72 | 89.5 Ų | 89.5 | 38% | 0.377 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -71.3 | 99.7 | 167.9 | -63.3 | 177.2 | 0 | 0 | 0 | 107.8 | R261 | L231-R261 VanDerWaalsContact CB-NH2 3.32Å; L231-R261 PolarHBondContact O-NH2 3.33Å |
| 232 | G | 74.9 | Confident | 67 | Low | 46 Ų | 46 | 87.3 Ų | 87.3 | 47% | 0.474 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 170.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | L230 C234 R261 | L230-G232 PolarHBondContact O-N 3.32Å; G232-C234 PolarHBondContact O-N 2.77Å; G232-R261 PolarHBondContact O-NH2 3.1Å |
| 233 | P | 78.1 | Confident | 68.9 | Low | 106 Ų | 106 | 91.1 Ų | 91.1 | 69% | 0.688 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 116.1 | -175.1 | 25.7 | -34.8 | 0 | 0 | 0 | 110.6 | | |
| 234 | C | 75.7 | Confident | 70.9 | Confident | 46 Ų | 46 | 90.7 Ų | 90.7 | 31% | 0.311 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 143.8 | -177.9 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | G232 T238 R261 | G232-C234 PolarHBondContact O-N 2.77Å; C234-T238 HydrophobicContact CB-CG2 4.25Å; C234-R261 PolarHBondContact SG-NH1 3.2Å |
| 235 | E | 79.8 | Confident | 72.8 | Confident | 135 Ų | 135 | 89.8 Ų | 89.8 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 145 | -179 | -75.9 | -56.2 | 146.6 | 0 | 0 | 111.8 | G237 T238 | E235-G237 PolarHBondContact O-N 3.03Å; E235-T238 PolarHBondContact N-OG1 3.42Å; E235-T238 WeakPolarHBondContact O-CB 3.23Å; E235-T238 PolarHBondContact O-N 2.91Å; E235-T238 PolarHBondContact O-OG1 3.5Å; E235-T238 VanDerWaalsContact O-OG1 3.11Å |
| 236 | P | 81 | Confident | 74.8 | Confident | 99 Ų | 99 | 85.4 Ų | 85.4 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 104.2 | 178.7 | -24.1 | 35.6 | 0 | 0 | 0 | 111.9 | | |
| 237 | G | 79.4 | Confident | 76.9 | Confident | 53 Ų | 53 | 90.7 Ų | 90.7 | 55% | 0.546 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 121 | -11.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E235 K239 | E235-G237 PolarHBondContact O-N 3.03Å; G237-K239 PolarHBondContact O-N 3.48Å |
| 238 | T | 76.7 | Confident | 78.5 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | | | trans | -54.3 | 125.9 | 168.1 | -60 | 0 | 0 | 0 | 0 | 110 | C234 E235 | C234-T238 HydrophobicContact CB-CG2 4.25Å; E235-T238 PolarHBondContact N-OG1 3.42Å; E235-T238 WeakPolarHBondContact O-CB 3.23Å; E235-T238 PolarHBondContact O-N 2.91Å; E235-T238 PolarHBondContact O-OG1 3.5Å; E235-T238 VanDerWaalsContact O-OG1 3.11Å |
| 239 | K | 76.9 | Confident | 80.2 | Confident | 127 Ų | 127 | 94 Ų | 94 | 55% | 0.552 | 53% | 0.53 | S | S | * | . | | | trans | -74.3 | 131.5 | 170.2 | -63.5 | 176.7 | -176.6 | 172.6 | 0 | 108.6 | G237 | G237-K239 PolarHBondContact O-N 3.48Š|
| 240 | V | 79.6 | Confident | 81.3 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 42% | 0.418 | 52% | 0.515 | S | S | . | . | | | trans | -124 | 129.6 | 170.9 | -82.6 | 0 | 0 | 0 | 0 | 108.7 | V242 W260 | V240-V242 HydrophobicContact CB-CG2 4.06Å; V240-V242 HydrophobicContact CG2-CG2 4.04Å; V240-W260 HydrophobicContact CG1-CZ2 4.29Å |
| 241 | V | 82.9 | Confident | 82.8 | Confident | 86 Ų | 86 | 90.5 Ų | 90.5 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | | | trans | -84.1 | 127.5 | 166 | -172.8 | 0 | 0 | 0 | 0 | 106.7 | T219 | T219-V241 PolarHBondContact OG1-N 2.83Š|
| 242 | V | 85.8 | Confident | 83.8 | Confident | 45 Ų | 45 | 87.7 Ų | 87.7 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | | | trans | -135.7 | 127.6 | -175 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | V240 L258 H259 W260 | V240-V242 HydrophobicContact CB-CG2 4.06Å; V240-V242 HydrophobicContact CG2-CG2 4.04Å; V242-L258 HydrophobicContact CG1-CB 3.95Å; V242-H259 WeakPolarHBondContact CG1-O 3.32Å; V242-W260 HydrophobicContact CG1-CB 3.92Å; V242-W260 HydrophobicContact CG1-CG 4.47Å; V242-W260 HydrophobicContact CG2-CG 4.24Å |
| 243 | E | 84.5 | Confident | 84.4 | Confident | 158 Ų | 158 | 88 Ų | 88 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 149.8 | 175.6 | -61 | -166.5 | 151.9 | 0 | 0 | 111.1 | H259 | E243-H259 PolarHBondContact O-N 3.08Å |
| 244 | G | 88.2 | Confident | 85.1 | Confident | 42 Ų | 42 | 85.4 Ų | 85.4 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 167.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.4 | S257 | G244-S257 CarbonylContact C-O 3.45Å; G244-S257 WeakPolarHBondContact CA-O 3.18Å |
| 245 | V | 90.8 | Very high | 85.8 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.6 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | W247 L256 S257 | V245-W247 PolarHBondContact O-N 3.29Å; V245-L256 WeakPolarHBondContact O-CA 3.28Å; V245-S257 PolarHBondContact N-O 3.44Å; V245-S257 PolarHBondContact O-N 3.32Å |
| 246 | V | 92.4 | Very high | 86.5 | Confident | 56 Ų | 56 | 78.1 Ų | 78.1 | 34% | 0.339 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.7 | 166.1 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | E249 L254 L256 | V246-E249 HydrophobicContact CG1-CB 4.36Å; V246-L254 HydrophobicContact CG1-CD2 4.28Å; V246-L256 HydrophobicContact CB-CD2 4.35Å; V246-L256 HydrophobicContact CG2-CD2 3.78Å |
| 247 | W | 91.7 | Very high | 87 | Confident | 172 Ų | 172 | 74.5 Ų | 74.5 | 65% | 0.652 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -29.3 | 179.7 | -85.4 | 63.4 | 0 | 0 | 0 | 113 | V245 V255 S257 M266 | V245-W247 PolarHBondContact O-N 3.29Å; W247-V255 HydrophobicContact CB-CG1 4.28Å; W247-V255 PolarHBondContact N-O 2.95Å; W247-S257 VanDerWaalsContact CD1-CB 3.45Å; W247-M266 HydrophobicContact CD2-SD 4.42Å |
| 248 | L | 89.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 75 Ų | 75 | 48% | 0.482 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 126.1 | 174.9 | 178.6 | 64.8 | 0 | 0 | 0 | 108.9 | V255 | L248-V255 HydrophobicContact CB-CB 4.03Å; L248-V255 HydrophobicContact CB-CG2 3.98Å; L248-V255 HydrophobicContact CD2-CG2 4.38Å; L248-V255 PolarHBondContact O-N 3.18Å |
| 249 | E | 92.7 | Very high | 88.1 | Confident | 148 Ų | 148 | 76.3 Ų | 76.3 | 69% | 0.692 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.6 | 164.3 | 177.3 | 162.3 | -167.7 | 0 | 0 | 108.9 | V246 L254 | V246-E249 HydrophobicContact CG1-CB 4.36Å; E249-L254 HydrophobicContact CB-CD2 3.86Å; E249-L254 HydrophobicContact CG-CD2 3.67Å |
| 250 | A | 86.4 | Confident | 88.5 | Confident | 41 Ų | 41 | 74.5 Ų | 74.5 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 164.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | G252 M253 | A250-G252 PolarHBondContact O-N 3.39Å; A250-M253 HydrophobicContact CB-CB 4.39Å; A250-M253 HydrophobicContact CB-CE 4.19Å; A250-M253 PolarHBondContact N-O 2.95Å; A250-M253 PolarHBondContact O-N 3.01Å; A250-M253 VanDerWaalsContact O-O 3.05Å |
| 251 | T | 87.1 | Confident | 88.6 | Confident | 146 Ų | 146 | 74 Ų | 74 | 90% | 0.896 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 91 | -174.5 | 37.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 252 | G | 85.3 | Confident | 88.6 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 12% | 0.124 | 40% | 0.397 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 19.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | A250 D271 Q275 | A250-G252 PolarHBondContact O-N 3.39Å; G252-D271 VanDerWaalsContact CA-CB 3.46Å; G252-D271 WeakPolarHBondContact O-CB 3.23Å; G252-D271 PolarHBondContact O-N 3.44Å; G252-Q275 PolarHBondContact O-NE2 3.02Å |
| 253 | M | 88.8 | Confident | 88.5 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 27% | 0.266 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 132.7 | 177.4 | 178.7 | 172.8 | 67.7 | 0 | 0 | 111.8 | A250 T268 L269 L270 | A250-M253 HydrophobicContact CB-CB 4.39Å; A250-M253 HydrophobicContact CB-CE 4.19Å; A250-M253 PolarHBondContact N-O 2.95Å; A250-M253 PolarHBondContact O-N 3.01Å; A250-M253 VanDerWaalsContact O-O 3.05Å; M253-T268 HydrophobicContact CG-CG2 3.42Å; M253-T268 VanDerWaalsContact CG-CG2 3.42Å; M253-T268 HydrophobicContact SD-CG2 3.74Å; M253-L269 WeakPolarHBondContact CA-O 3.49Å; M253-L270 HydrophobicContact CB-CD2 4.43Å; M253-L270 HydrophobicContact CG-CD2 3.97Å; M253-L270 HydrophobicContact SD-CD2 4.18Å |
| 254 | L | 91.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 74.6 Ų | 74.6 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 123.7 | 173.4 | -63.1 | 172.6 | 0 | 0 | 0 | 109.9 | V246 E249 L256 T268 L269 | V246-L254 HydrophobicContact CG1-CD2 4.28Å; E249-L254 HydrophobicContact CB-CD2 3.86Å; E249-L254 HydrophobicContact CG-CD2 3.67Å; L254-L256 HydrophobicContact CB-CD2 4.38Å; L254-T268 CarbonylContact O-C 3.48Å; L254-T268 VanDerWaalsContact O-CA 3.3Å; L254-T268 WeakPolarHBondContact O-CA 3.22Å; L254-L269 HydrophobicContact CB-CB 4.36Å; L254-L269 PolarHBondContact N-O 3.25Å; L254-L269 PolarHBondContact O-N 3.04Å |
| 255 | V | 91.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 77.3 Ų | 77.3 | 6% | 0.061 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 121.2 | 168.5 | -175 | 0 | 0 | 0 | 0 | 108.6 | W247 L248 M266 G267 T268 | W247-V255 HydrophobicContact CB-CG1 4.28Å; W247-V255 PolarHBondContact N-O 2.95Å; L248-V255 HydrophobicContact CB-CB 4.03Å; L248-V255 HydrophobicContact CB-CG2 3.98Å; L248-V255 HydrophobicContact CD2-CG2 4.38Å; L248-V255 PolarHBondContact O-N 3.18Å; V255-M266 HydrophobicContact CG1-CG 4.25Å; V255-G267 WeakPolarHBondContact CA-O 3.14Å; V255-T268 HydrophobicContact CG2-CG2 4.42Å |
| 256 | L | 93.3 | Very high | 88.8 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.5 | -176.1 | -58.1 | -178.5 | 0 | 0 | 0 | 110.6 | V245 V246 L254 L258 M266 G267 L269 | V245-L256 WeakPolarHBondContact O-CA 3.28Å; V246-L256 HydrophobicContact CB-CD2 4.35Å; V246-L256 HydrophobicContact CG2-CD2 3.78Å; L254-L256 HydrophobicContact CB-CD2 4.38Å; L256-L258 HydrophobicContact CB-CD2 4.17Å; L256-L258 HydrophobicContact CB-CG 4.31Å; L256-L258 HydrophobicContact CD1-CD2 4.26Å; L256-M266 CarbonylContact O-C 3.53Å; L256-M266 VanDerWaalsContact O-CA 3.24Å; L256-M266 WeakPolarHBondContact O-CA 3.38Å; L256-M266 VanDerWaalsContact O-CG 3.29Å; L256-M266 WeakPolarHBondContact O-CG 3.35Å; L256-G267 PolarHBondContact N-O 3.14Å; L256-G267 PolarHBondContact O-N 2.99Å; L256-L269 HydrophobicContact CD1-CD1 3.66Å; L256-L269 HydrophobicContact CD1-CG 3.8Å |
| 257 | S | 92.7 | Very high | 88.8 | Confident | 23 Ų | 23 | 75.3 Ų | 75.3 | 16% | 0.161 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 104.4 | 162.2 | 176.7 | 0 | 0 | 0 | 0 | 109.1 | G244 V245 W247 | G244-S257 CarbonylContact C-O 3.45Å; G244-S257 WeakPolarHBondContact CA-O 3.18Å; V245-S257 PolarHBondContact N-O 3.44Å; V245-S257 PolarHBondContact O-N 3.32Å; W247-S257 VanDerWaalsContact CD1-CB 3.45Å |
| 258 | L | 90.7 | Very high | 88.8 | Confident | 62 Ų | 62 | 70.1 Ų | 70.1 | 33% | 0.325 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 141.1 | -178.5 | -55.3 | 177.9 | 0 | 0 | 0 | 110.7 | V242 L256 N264 Y265 | V242-L258 HydrophobicContact CG1-CB 3.95Å; L256-L258 HydrophobicContact CB-CD2 4.17Å; L256-L258 HydrophobicContact CB-CG 4.31Å; L256-L258 HydrophobicContact CD1-CD2 4.26Å; L258-N264 WeakPolarHBondContact O-CA 3.44Å; L258-Y265 PolarHBondContact N-O 3.1Å; L258-Y265 PolarHBondContact O-N 3.31Å |
| 259 | H | 87 | Confident | 88.8 | Confident | 105 Ų | 105 | 69.6 Ų | 69.6 | 49% | 0.486 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 115.9 | 174.2 | -176.4 | -123.6 | 0 | 0 | 0 | 111 | V242 E243 G262 R263 N264 | V242-H259 WeakPolarHBondContact CG1-O 3.32Å; E243-H259 PolarHBondContact O-N 3.08Å; H259-G262 WeakPolarHBondContact NE2-CA 3.4Å; H259-R263 PolarHBondContact CD2-O 2.95Å; H259-N264 PolarHBondContact CD2-OD1 2.92Å; H259-N264 VanDerWaalsContact CD2-OD1 3.26Å |
| 260 | W | 86.1 | Confident | 88.7 | Confident | 88 Ų | 88 | 66.3 Ų | 66.3 | 33% | 0.333 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 131.4 | -174.1 | -174.3 | 58.9 | 0 | 0 | 0 | 111 | V240 V242 G262 R263 Y265 | V240-W260 HydrophobicContact CG1-CZ2 4.29Å; V242-W260 HydrophobicContact CG1-CB 3.92Å; V242-W260 HydrophobicContact CG1-CG 4.47Å; V242-W260 HydrophobicContact CG2-CG 4.24Å; W260-G262 VanDerWaalsContact C-N 3.27Å; W260-G262 PolarHBondContact O-N 3.23Å; W260-R263 PolarHBondContact N-O 3.07Å; W260-R263 PolarHBondContact O-N 3Å; W260-R263 VanDerWaalsContact O-O 3.12Å; W260-Y265 HydrophobicContact CB-CD2 4.21Å; W260-Y265 HydrophobicContact CB-CE2 3.98Å; W260-Y265 AromaticContact CE3-CE2 3.92Å; W260-Y265 HydrophobicContact CE3-CE2 3.92Å |
| 261 | R | 82.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 22% | 0.219 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 46.7 | -177.9 | -73.2 | -170.8 | 160.2 | 92.8 | -15.4 | 113.6 | P228 L231 G232 C234 R263 | P228-R261 HydrophobicContact CB-CB 3.82Å; P228-R261 HydrophobicContact CB-CG 3.73Å; P228-R261 WeakPolarHBondContact O-CD 3.34Å; P228-R261 PolarHBondContact O-NE 3.14Å; L231-R261 VanDerWaalsContact CB-NH2 3.32Å; L231-R261 PolarHBondContact O-NH2 3.33Å; G232-R261 PolarHBondContact O-NH2 3.1Å; C234-R261 PolarHBondContact SG-NH1 3.2Å; R261-R263 PolarHBondContact O-N 2.91Å |
| 262 | G | 82.7 | Confident | 88.3 | Confident | 62 Ų | 62 | 64.4 Ų | 64.4 | 64% | 0.639 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.5 | 9.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | H259 W260 | H259-G262 WeakPolarHBondContact NE2-CA 3.4Å; W260-G262 VanDerWaalsContact C-N 3.27Å; W260-G262 PolarHBondContact O-N 3.23Å |
| 263 | R | 83.7 | Confident | 88 | Confident | 128 Ų | 128 | 68.5 Ų | 68.5 | 48% | 0.483 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.9 | 179 | -61 | -177.5 | -169.2 | -164.8 | 5.5 | 110.4 | H259 W260 R261 Y265 | H259-R263 PolarHBondContact CD2-O 2.95Å; W260-R263 PolarHBondContact N-O 3.07Å; W260-R263 PolarHBondContact O-N 3Å; W260-R263 VanDerWaalsContact O-O 3.12Å; R261-R263 PolarHBondContact O-N 2.91Å; R263-Y265 HydrophobicContact CB-CD2 4.36Å; R263-Y265 HydrophobicContact CB-CE2 3.59Å; R263-Y265 WeakPolarHBondContact O-CD2 3.33Å |
| 264 | N | 88 | Confident | 87.3 | Confident | 113 Ų | 113 | 72.5 Ų | 72.5 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.1 | 174 | -66.5 | -59.6 | 0 | 0 | 0 | 109.7 | L258 H259 | L258-N264 WeakPolarHBondContact O-CA 3.44Å; H259-N264 PolarHBondContact CD2-OD1 2.92Å; H259-N264 VanDerWaalsContact CD2-OD1 3.26Å |
| 265 | Y | 90.6 | Very high | 86 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 38% | 0.384 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 110.2 | 179.7 | -61.4 | -93.9 | 0 | 0 | 0 | 108.7 | L258 W260 R263 | L258-Y265 PolarHBondContact N-O 3.1Å; L258-Y265 PolarHBondContact O-N 3.31Å; W260-Y265 HydrophobicContact CB-CD2 4.21Å; W260-Y265 HydrophobicContact CB-CE2 3.98Å; W260-Y265 AromaticContact CE3-CE2 3.92Å; W260-Y265 HydrophobicContact CE3-CE2 3.92Å; R263-Y265 HydrophobicContact CB-CD2 4.36Å; R263-Y265 HydrophobicContact CB-CE2 3.59Å; R263-Y265 WeakPolarHBondContact O-CD2 3.33Å |
| 266 | M | 91.4 | Very high | 84.3 | Confident | 63 Ų | 63 | 78.1 Ų | 78.1 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 134.6 | 169.7 | -148.9 | 166.8 | 73.2 | 0 | 0 | 109.8 | W247 V255 L256 N709 L710 | W247-M266 HydrophobicContact CD2-SD 4.42Å; V255-M266 HydrophobicContact CG1-CG 4.25Å; L256-M266 CarbonylContact O-C 3.53Å; L256-M266 VanDerWaalsContact O-CA 3.24Å; L256-M266 WeakPolarHBondContact O-CA 3.38Å; L256-M266 VanDerWaalsContact O-CG 3.29Å; L256-M266 WeakPolarHBondContact O-CG 3.35Å; M266-N709 WeakPolarHBondContact CE-O 3.39Å; M266-L710 HydrophobicContact CB-CD1 3.64Å; M266-L710 HydrophobicContact CB-CD2 3.99Å; M266-L710 HydrophobicContact CB-CG 3.98Å; M266-L710 HydrophobicContact CE-CD2 3.96Å; M266-L710 HydrophobicContact CE-CG 4.11Å; M266-L710 HydrophobicContact SD-CD2 4.34Å |
| 267 | G | 91.6 | Very high | 82.7 | Confident | 37 Ų | 37 | 86.3 Ų | 86.3 | 38% | 0.381 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 176.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V255 L256 | V255-G267 WeakPolarHBondContact CA-O 3.14Å; L256-G267 PolarHBondContact N-O 3.14Å; L256-G267 PolarHBondContact O-N 2.99Å |
| 268 | T | 91.3 | Very high | 80.6 | Confident | 64 Ų | 64 | 86.3 Ų | 86.3 | 39% | 0.393 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.6 | -175.2 | -48.8 | 0 | 0 | 0 | 0 | 110.4 | M253 L254 V255 L270 | M253-T268 HydrophobicContact CG-CG2 3.42Å; M253-T268 VanDerWaalsContact CG-CG2 3.42Å; M253-T268 HydrophobicContact SD-CG2 3.74Å; L254-T268 CarbonylContact O-C 3.48Å; L254-T268 VanDerWaalsContact O-CA 3.3Å; L254-T268 WeakPolarHBondContact O-CA 3.22Å; V255-T268 HydrophobicContact CG2-CG2 4.42Å; T268-L270 HydrophobicContact CG2-CD2 3.66Å; T268-L270 HydrophobicContact CG2-CG 4.42Å |
| 269 | L | 90.8 | Very high | 78.4 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 42% | 0.419 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 139.4 | 163.6 | -57.1 | -176 | 0 | 0 | 0 | 108.9 | M253 L254 L256 | M253-L269 WeakPolarHBondContact CA-O 3.49Å; L254-L269 HydrophobicContact CB-CB 4.36Å; L254-L269 PolarHBondContact N-O 3.25Å; L254-L269 PolarHBondContact O-N 3.04Å; L256-L269 HydrophobicContact CD1-CD1 3.66Å; L256-L269 HydrophobicContact CD1-CG 3.8Å |
| 270 | L | 89 | Confident | 76.8 | Confident | 80 Ų | 80 | 89.3 Ų | 89.3 | 42% | 0.419 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.9 | -177.2 | -56.8 | 174.3 | 0 | 0 | 0 | 108.1 | M253 T268 S272 | M253-L270 HydrophobicContact CB-CD2 4.43Å; M253-L270 HydrophobicContact CG-CD2 3.97Å; M253-L270 HydrophobicContact SD-CD2 4.18Å; T268-L270 HydrophobicContact CG2-CD2 3.66Å; T268-L270 HydrophobicContact CG2-CG 4.42Å; L270-S272 PolarHBondContact O-N 2.9Å |
| 271 | D | 85.6 | Confident | 74.9 | Confident | 46 Ų | 46 | 89.2 Ų | 89.2 | 25% | 0.246 | 50% | 0.503 | C | S | . | . | | | trans | -73.6 | 106.3 | 178.6 | -179.5 | -8.6 | 0 | 0 | 0 | 110.3 | G252 S273 K274 Q275 | G252-D271 VanDerWaalsContact CA-CB 3.46Å; G252-D271 WeakPolarHBondContact O-CB 3.23Å; G252-D271 PolarHBondContact O-N 3.44Å; D271-S273 VanDerWaalsContact CG-OG 3.25Å; D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 VanDerWaalsContact O-N 3.15Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.71Å; D271-S273 PolarHBondContact OD1-OG 2.99Å; D271-S273 PolarHBondContact OD2-OG 2.84Å; D271-K274 HydrophobicContact CB-CB 4.38Å; D271-K274 PolarHBondContact O-N 3.44Å; D271-K274 WeakPolarHBondContact OD2-CD 3.34Å; D271-K274 WeakPolarHBondContact OD2-CG 3.28Å; D271-K274 IonicContact OD2-NZ 2.63Å; D271-K274 PolarHBondContact OD2-NZ 3.32Å; D271-Q275 PolarHBondContact O-N 3.38Å |
| 272 | S | 79.5 | Confident | 73.1 | Confident | 100 Ų | 100 | 92.3 Ų | 92.3 | 70% | 0.699 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -9.5 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | L270 | L270-S272 PolarHBondContact O-N 2.9Š|
| 273 | S | 79.6 | Confident | 71.1 | Confident | 99 Ų | 99 | 94.9 Ų | 94.9 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -22.9 | 169.5 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | D271 | D271-S273 VanDerWaalsContact CG-OG 3.25Å; D271-S273 PolarHBondContact O-N 3.19Å; D271-S273 VanDerWaalsContact O-N 3.15Å; D271-S273 WeakPolarHBondContact OD1-CB 3.23Å; D271-S273 PolarHBondContact OD1-N 2.71Å; D271-S273 PolarHBondContact OD1-OG 2.99Å; D271-S273 PolarHBondContact OD2-OG 2.84Å |
| 274 | K | 74.1 | Confident | 69.4 | Low | 137 Ų | 137 | 97.2 Ų | 97.2 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108 | -19.8 | -178.5 | -61 | -173.5 | -176.8 | 86.9 | 0 | 113.5 | D271 | D271-K274 HydrophobicContact CB-CB 4.38Å; D271-K274 PolarHBondContact O-N 3.44Å; D271-K274 WeakPolarHBondContact OD2-CD 3.34Å; D271-K274 WeakPolarHBondContact OD2-CG 3.28Å; D271-K274 IonicContact OD2-NZ 2.63Å; D271-K274 PolarHBondContact OD2-NZ 3.32Å |
| 275 | Q | 63.8 | Low | 67.2 | Low | 51 Ų | 51 | 94.2 Ų | 94.2 | 24% | 0.238 | 53% | 0.53 | C | S | . | . | | | trans | -116.1 | 96 | -174.9 | -58.7 | -163.8 | 33.5 | 0 | 0 | 112.2 | G252 D271 F277 A278 | G252-Q275 PolarHBondContact O-NE2 3.02Å; D271-Q275 PolarHBondContact O-N 3.38Å; Q275-F277 PolarHBondContact O-N 3.13Å; Q275-F277 VanDerWaalsContact O-N 3.13Å; Q275-A278 VanDerWaalsContact O-CB 3.31Å; Q275-A278 WeakPolarHBondContact O-CB 3.38Å; Q275-A278 PolarHBondContact O-N 2.91Å |
| 276 | T | 57.5 | Low | 65.3 | Low | 128 Ų | 128 | 92.3 Ų | 92.3 | 79% | 0.785 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13 | 171.3 | 40.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 277 | F | 58 | Low | 63 | Low | 190 Ų | 190 | 91.8 Ų | 91.8 | 83% | 0.833 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -2.1 | 173 | -60.2 | -70.3 | 0 | 0 | 0 | 114.3 | Q275 | Q275-F277 PolarHBondContact O-N 3.13Å; Q275-F277 VanDerWaalsContact O-N 3.13Å |
| 278 | A | 49.9 | Very low | 60.8 | Low | 23 Ų | 23 | 93 Ų | 93 | 19% | 0.19 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -61.3 | 130.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q275 T280 | Q275-A278 VanDerWaalsContact O-CB 3.31Å; Q275-A278 WeakPolarHBondContact O-CB 3.38Å; Q275-A278 PolarHBondContact O-N 2.91Å; A278-T280 PolarHBondContact O-N 2.91Å |
| 279 | P | 44.9 | Very low | 58.7 | Low | 105 Ų | 105 | 92.2 Ų | 92.2 | 68% | 0.682 | 54% | 0.536 | S | S | * | . | | | trans | -52.7 | 115.3 | -178.6 | -29.1 | 36 | 0 | 0 | 0 | 111.6 | C281 | P279-C281 PolarHBondContact O-N 2.87Š|
| 280 | T | 53 | Low | 57 | Low | 126 Ų | 126 | 93.6 Ų | 93.6 | 77% | 0.773 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -66.6 | 105.1 | -169.4 | 45.4 | 0 | 0 | 0 | 0 | 110.5 | A278 | A278-T280 PolarHBondContact O-N 2.91Š|
| 281 | C | 46.5 | Very low | 55.1 | Low | 85 Ų | 85 | 94.3 Ų | 94.3 | 57% | 0.574 | 55% | 0.548 | S | S | * | . | | | trans | 54.5 | 150.5 | -170.3 | 70.5 | 0 | 0 | 0 | 0 | 116.8 | P279 D283 | P279-C281 PolarHBondContact O-N 2.87Å; C281-D283 HydrophobicContact CB-CB 4.49Å; C281-D283 WeakPolarHBondContact CB-OD2 3.3Å; C281-D283 PolarHBondContact O-N 2.89Å; C281-D283 VanDerWaalsContact O-N 3.15Å; C281-D283 PolarHBondContact SG-OD2 2.78Å |
| 282 | M | 44.1 | Very low | 53.6 | Low | 123 Ų | 123 | 98.8 Ų | 98.8 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | | | trans | -80.3 | 17.1 | 178.1 | -64.5 | -175.7 | 73.6 | 0 | 0 | 112.7 | R140 K284 | R140-M282 PolarHBondContact NH2-SD 2.93Å; R140-M282 VanDerWaalsContact NH2-SD 3.45Å; M282-K284 PolarHBondContact O-N 2.85Å |
| 283 | D | 40.4 | Very low | 52.5 | Low | 116 Ų | 116 | 98.9 Ų | 98.9 | 62% | 0.62 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -83.1 | 107.4 | -164.8 | -62 | -31.1 | 0 | 0 | 0 | 110.4 | C281 G285 | C281-D283 HydrophobicContact CB-CB 4.49Å; C281-D283 WeakPolarHBondContact CB-OD2 3.3Å; C281-D283 PolarHBondContact O-N 2.89Å; C281-D283 VanDerWaalsContact O-N 3.15Å; C281-D283 PolarHBondContact SG-OD2 2.78Å; D283-G285 PolarHBondContact O-N 2.96Å |
| 284 | K | 47.6 | Very low | 51.3 | Low | 177 Ų | 177 | 100.7 Ų | 100.7 | 77% | 0.77 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 68.7 | -43.1 | 176.4 | -50.8 | 166.5 | -173.9 | 174.3 | 0 | 114.7 | M282 S288 | M282-K284 PolarHBondContact O-N 2.85Å; K284-S288 WeakPolarHBondContact O-CB 3.49Å; K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 2.99Å |
| 285 | G | 41.3 | Very low | 49.7 | Very low | 50 Ų | 50 | 96.8 Ų | 96.8 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.7 | -59.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | D283 A287 S288 A289 | D283-G285 PolarHBondContact O-N 2.96Å; G285-A287 PolarHBondContact O-N 2.82Å; G285-S288 PolarHBondContact O-N 2.84Å; G285-A289 PolarHBondContact O-N 3.49Å |
| 286 | V | 50.5 | Low | 48.7 | Very low | 59 Ų | 59 | 103.3 Ų | 103.3 | 36% | 0.358 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -36.9 | -174.6 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | A289 L290 | V286-A289 PolarHBondContact O-N 2.88Å; V286-L290 HydrophobicContact CG1-CD1 4.37Å; V286-L290 WeakPolarHBondContact O-CG 3.44Å; V286-L290 PolarHBondContact O-N 2.87Å |
| 287 | A | 43.6 | Very low | 48 | Very low | 51 Ų | 51 | 107.1 Ų | 107.1 | 42% | 0.421 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.4 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G285 L290 N291 | G285-A287 PolarHBondContact O-N 2.82Å; A287-L290 PolarHBondContact O-N 2.83Å; A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å |
| 288 | S | 44.7 | Very low | 47.2 | Very low | 64 Ų | 64 | 103 Ų | 103 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -41.9 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | K284 G285 N291 L292 | K284-S288 WeakPolarHBondContact O-CB 3.49Å; K284-S288 PolarHBondContact O-N 2.9Å; K284-S288 PolarHBondContact O-OG 2.99Å; G285-S288 PolarHBondContact O-N 2.84Å; S288-N291 PolarHBondContact O-N 3.49Å; S288-L292 VanDerWaalsContact O-CG 3.31Å; S288-L292 WeakPolarHBondContact O-CG 3.29Å; S288-L292 PolarHBondContact O-N 3.06Å |
| 289 | A | 49 | Very low | 46.6 | Very low | 46 Ų | 46 | 111.7 Ų | 111.7 | 38% | 0.38 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -60.7 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | G285 V286 N291 L292 L293 | G285-A289 PolarHBondContact O-N 3.49Å; V286-A289 PolarHBondContact O-N 2.88Å; A289-N291 VanDerWaalsContact C-N 3.35Å; A289-N291 PolarHBondContact O-N 3.37Å; A289-L292 PolarHBondContact O-N 3.25Å; A289-L293 WeakPolarHBondContact O-CD1 3.45Å; A289-L293 PolarHBondContact O-N 2.98Å |
| 290 | L | 53.9 | Low | 46.4 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 58% | 0.576 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.9 | -36.3 | 176.1 | -70.5 | 173.8 | 0 | 0 | 0 | 112.5 | V286 A287 L293 R294 | V286-L290 HydrophobicContact CG1-CD1 4.37Å; V286-L290 WeakPolarHBondContact O-CG 3.44Å; V286-L290 PolarHBondContact O-N 2.87Å; A287-L290 PolarHBondContact O-N 2.83Å; L290-L293 PolarHBondContact O-N 3.15Å; L290-R294 WeakPolarHBondContact O-CB 3.21Å; L290-R294 PolarHBondContact O-N 2.88Å |
| 291 | N | 49.7 | Very low | 45.9 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -39.5 | 173.4 | -76.6 | -20.8 | 0 | 0 | 0 | 112.5 | A287 S288 A289 L293 R294 G295 | A287-N291 WeakPolarHBondContact O-CB 3.24Å; A287-N291 PolarHBondContact O-N 2.92Å; S288-N291 PolarHBondContact O-N 3.49Å; A289-N291 VanDerWaalsContact C-N 3.35Å; A289-N291 PolarHBondContact O-N 3.37Å; N291-L293 VanDerWaalsContact C-N 3.35Å; N291-R294 WeakPolarHBondContact O-CB 3.29Å; N291-R294 PolarHBondContact O-N 2.85Å; N291-G295 PolarHBondContact O-N 3.11Å |
| 292 | L | 54.5 | Low | 46 | Very low | 140 Ų | 140 | 111.5 Ų | 111.5 | 73% | 0.733 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.5 | -38.5 | 173.1 | -71.3 | 166.8 | 0 | 0 | 0 | 111.9 | S288 A289 G295 | S288-L292 VanDerWaalsContact O-CG 3.31Å; S288-L292 WeakPolarHBondContact O-CG 3.29Å; S288-L292 PolarHBondContact O-N 3.06Å; A289-L292 PolarHBondContact O-N 3.25Å; L292-G295 PolarHBondContact O-N 3.01Å |
| 293 | L | 55.9 | Low | 46.1 | Very low | 102 Ų | 102 | 114 Ų | 114 | 53% | 0.534 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.9 | -35.6 | 171.7 | -86.7 | 87 | 0 | 0 | 0 | 112.8 | A289 L290 N291 G295 R296 | A289-L293 WeakPolarHBondContact O-CD1 3.45Å; A289-L293 PolarHBondContact O-N 2.98Å; L290-L293 PolarHBondContact O-N 3.15Å; N291-L293 VanDerWaalsContact C-N 3.35Å; L293-G295 PolarHBondContact O-N 2.98Å; L293-G295 VanDerWaalsContact O-N 3.15Å; L293-R296 PolarHBondContact O-N 2.59Å |
| 294 | R | 54.4 | Low | 46.1 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -58.3 | -23.7 | 174.3 | -117.4 | 175.7 | 176 | -178.3 | -3.7 | 112.6 | L290 N291 R296 | L290-R294 WeakPolarHBondContact O-CB 3.21Å; L290-R294 PolarHBondContact O-N 2.88Å; N291-R294 WeakPolarHBondContact O-CB 3.29Å; N291-R294 PolarHBondContact O-N 2.85Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.36Å |
| 295 | G | 40 | Very low | 45.4 | Very low | 55 Ų | 55 | 112.5 Ų | 112.5 | 57% | 0.567 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -23.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | N291 L292 L293 K297 | N291-G295 PolarHBondContact O-N 3.11Å; L292-G295 PolarHBondContact O-N 3.01Å; L293-G295 PolarHBondContact O-N 2.98Å; L293-G295 VanDerWaalsContact O-N 3.15Å; G295-K297 PolarHBondContact O-N 3.27Å |
| 296 | R | 43.9 | Very low | 45.2 | Very low | 189 Ų | 189 | 121.5 Ų | 121.5 | 71% | 0.713 | 63% | 0.629 | S | S | * | * | | | trans | -84.4 | 89.1 | 178 | -84 | -179.2 | 154.5 | 165.6 | -6.1 | 111.6 | L293 R294 S298 | L293-R296 PolarHBondContact O-N 2.59Å; R294-R296 VanDerWaalsContact C-N 3.28Å; R294-R296 PolarHBondContact O-N 3.36Å; R296-S298 PolarHBondContact O-N 2.97Å |
| 297 | K | 42.9 | Very low | 44.8 | Very low | 207 Ų | 207 | 126.7 Ų | 126.7 | 90% | 0.9 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 63.5 | 177.5 | -67.6 | 162.2 | 175.5 | 170.5 | 0 | 113.7 | G295 | G295-K297 PolarHBondContact O-N 3.27Š|
| 298 | S | 40.3 | Very low | 44.5 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -150 | 6.5 | -176.5 | -165.1 | 0 | 0 | 0 | 0 | 116.2 | R296 | R296-S298 PolarHBondContact O-N 2.97Š|
| 299 | W | 38.5 | Very low | 44.2 | Very low | 205 Ų | 205 | 137 Ų | 137 | 78% | 0.777 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -98.4 | 5.3 | -173.4 | -74.7 | 101.4 | 0 | 0 | 0 | 115.4 | | |
| 300 | C | 40.4 | Very low | 43.4 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 82% | 0.824 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -121 | 11 | -170.2 | -56.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 301 | D | 40.9 | Very low | 42.6 | Very low | 83 Ų | 83 | 140.6 Ų | 140.6 | 44% | 0.444 | 72% | 0.719 | S | S | . | * | | | trans | -118.2 | 96 | 177.6 | -176.6 | -12.5 | 0 | 0 | 0 | 110.4 | H303 R304 | D301-H303 PolarHBondContact O-N 3.43Å; D301-H303 WeakPolarHBondContact OD1-CA 3.31Å; D301-H303 PolarHBondContact OD1-N 2.9Å; D301-R304 PolarHBondContact OD1-N 3.27Å; D301-R304 VanDerWaalsContact OD2-CB 3.29Å; D301-R304 WeakPolarHBondContact OD2-CB 3.46Å; D301-R304 IonicContact OD2-NE 3.49Å; D301-R304 PolarHBondContact OD2-NE 3.37Å |
| 302 | P | 50.1 | Low | 41.9 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -72 | -8.8 | 175.5 | -18.8 | 33.2 | 0 | 0 | 0 | 114.7 | | |
| 303 | H | 46.4 | Very low | 40.9 | Very low | 175 Ų | 175 | 146.4 Ų | 146.4 | 81% | 0.81 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -102.9 | -19.9 | -170.1 | -76.7 | -79.8 | 0 | 0 | 0 | 113.9 | D301 G305 | D301-H303 PolarHBondContact O-N 3.43Å; D301-H303 WeakPolarHBondContact OD1-CA 3.31Å; D301-H303 PolarHBondContact OD1-N 2.9Å; H303-G305 PolarHBondContact O-N 2.96Å |
| 304 | R | 39.4 | Very low | 40.1 | Very low | 206 Ų | 206 | 148.6 Ų | 148.6 | 78% | 0.777 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -83 | 79.7 | 175.7 | -166.1 | 167.4 | -61.7 | -93.3 | -2.5 | 112 | D301 | D301-R304 PolarHBondContact OD1-N 3.27Å; D301-R304 VanDerWaalsContact OD2-CB 3.29Å; D301-R304 WeakPolarHBondContact OD2-CB 3.46Å; D301-R304 IonicContact OD2-NE 3.49Å; D301-R304 PolarHBondContact OD2-NE 3.37Å |
| 305 | G | 33.6 | Very low | 39.2 | Very low | 55 Ų | 55 | 150.7 Ų | 150.7 | 57% | 0.567 | 76% | 0.759 | S | S | * | * | | | trans | -59.2 | 163.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | H303 Q307 | H303-G305 PolarHBondContact O-N 2.96Å; G305-Q307 PolarHBondContact O-N 3.47Å |
| 306 | Y | 37.5 | Very low | 39.2 | Very low | 239 Ų | 239 | 156.8 Ų | 156.8 | 94% | 0.937 | 78% | 0.777 | S | S | * | * | | | trans | -48.7 | 100.5 | -176.9 | -67.4 | -98.8 | 0 | 0 | 0 | 114.2 | | |
| 307 | Q | 42.1 | Very low | 38.9 | Very low | 168 Ų | 168 | 157.4 Ų | 157.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -113.6 | 86.2 | 159.6 | -84.6 | -68.8 | -29 | 0 | 0 | 108.8 | G305 R309 | G305-Q307 PolarHBondContact O-N 3.47Å; Q307-R309 PolarHBondContact O-N 3.35Å |
| 308 | A | 36 | Very low | 38.6 | Very low | 96 Ų | 96 | 155.4 Ų | 155.4 | 79% | 0.793 | 77% | 0.773 | S | S | * | * | | | trans | -64.7 | 122 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 309 | R | 39.4 | Very low | 38.5 | Very low | 236 Ų | 236 | 159.3 Ų | 159.3 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | trans | -111.4 | 118.6 | 158.6 | -74.6 | -169.2 | 171.5 | -178.6 | -2.6 | 108.1 | Q307 | Q307-R309 PolarHBondContact O-N 3.35Š|
| 310 | G | 32.1 | Very low | 38.3 | Very low | 75 Ų | 75 | 160.1 Ų | 160.1 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | trans | -73.2 | 172.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | H312 | G310-H312 PolarHBondContact O-N 3.19Š|
| 311 | L | 36.1 | Very low | 38.1 | Very low | 157 Ų | 157 | 166.2 Ų | 166.2 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -56.4 | 123.6 | 170.2 | -64.6 | 153.4 | 0 | 0 | 0 | 111 | | |
| 312 | H | 35.8 | Very low | 37.7 | Very low | 157 Ų | 157 | 166 Ų | 166 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -152.1 | 101.6 | 141.3 | -142.4 | 52.6 | 0 | 0 | 0 | 112 | G310 H314 | G310-H312 PolarHBondContact O-N 3.19Å; H312-H314 AromaticContact CE1-CD2 3.78Å; H312-H314 AromaticContact NE2-CD2 3.43Å; H312-H314 PolarHBondContact NE2-CD2 3.4Å; H312-H314 AromaticContact NE2-CG 3.82Å; H312-H314 PolarHBondContact O-N 2.63Å |
| 313 | F | 33.4 | Very low | 36.9 | Very low | 199 Ų | 199 | 165 Ų | 165 | 87% | 0.873 | 81% | 0.814 | S | S | * | * | | | trans | -83.4 | 97.8 | 158.4 | -76.5 | -81.7 | 0 | 0 | 0 | 107.7 | | |
| 314 | H | 38.3 | Very low | 36.2 | Very low | 148 Ų | 148 | 160.3 Ų | 160.3 | 69% | 0.685 | 81% | 0.814 | S | S | * | * | | | trans | -137.7 | 132 | 160 | -110 | -87.4 | 0 | 0 | 0 | 109.7 | H312 | H312-H314 AromaticContact CE1-CD2 3.78Å; H312-H314 AromaticContact NE2-CD2 3.43Å; H312-H314 PolarHBondContact NE2-CD2 3.4Å; H312-H314 AromaticContact NE2-CG 3.82Å; H312-H314 PolarHBondContact O-N 2.63Å |
| 315 | H | 35.8 | Very low | 36 | Very low | 181 Ų | 181 | 156.3 Ų | 156.3 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | | | trans | -71.9 | 126.9 | 172.1 | -59.2 | -99.8 | 0 | 0 | 0 | 109.2 | | |
| 316 | L | 41.4 | Very low | 36.4 | Very low | 183 Ų | 183 | 160.4 Ų | 160.4 | 96% | 0.958 | 83% | 0.831 | S | S | * | * | | | trans | -150.2 | 165.4 | 142.4 | -136 | 66.3 | 0 | 0 | 0 | 111.9 | | |
| 317 | R | 36.9 | Very low | 36.5 | Very low | 202 Ų | 202 | 156 Ų | 156 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | | | trans | -111.9 | 146.3 | -154.9 | -120 | 176.4 | 174.4 | 167.7 | -2.7 | 111.2 | | |
| 318 | H | 35.7 | Very low | 36.1 | Very low | 165 Ų | 165 | 151.6 Ų | 151.6 | 76% | 0.764 | 83% | 0.829 | S | S | * | * | | | trans | 66 | 143.4 | 160.2 | -51.6 | -45.4 | 0 | 0 | 0 | 115 | | |
| 319 | H | 38.8 | Very low | 36.4 | Very low | 185 Ų | 185 | 153.4 Ų | 153.4 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | | | cis | -140.8 | 160 | 49.1 | -97.1 | -107.4 | 0 | 0 | 0 | 114.9 | | |
| 320 | R | 34.8 | Very low | 36.1 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | | | trans | -99.7 | 145.2 | 162.4 | -60.8 | -176.5 | -178.2 | -152 | 4.4 | 109.9 | | |
| 321 | R | 36.6 | Very low | 36.4 | Very low | 250 Ų | 250 | 152.7 Ų | 152.7 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | | | | 158.7 | 153.9 | 126.6 | -88.2 | 167.4 | -177.1 | -99.9 | 4.5 | 112.2 | | |
| 322 | G | 32.6 | Very low | 36.5 | Very low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | 88.9 | 123.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 323 | G | 31.9 | Very low | 36.6 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 88% | 0.876 | 84% | 0.84 | S | S | * | * | | | cis | 106.8 | 105.1 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 324 | G | 33.2 | Very low | 36.7 | Very low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | 116 | 115.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 325 | S | 34.9 | Very low | 36.5 | Very low | 121 Ų | 121 | 152.4 Ų | 152.4 | 85% | 0.846 | 85% | 0.852 | S | S | * | * | | | cis | 95.3 | 72.1 | 17.4 | -163 | 0 | 0 | 0 | 0 | 116.4 | | |
| 326 | T | 40.7 | Very low | 36.3 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 87% | 0.865 | 85% | 0.854 | S | S | * | * | | | trans | -140.5 | 134.3 | 151.9 | 47.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 327 | T | 41.1 | Very low | 36.2 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 90% | 0.902 | 85% | 0.849 | S | S | * | * | | | trans | -44.6 | 144.8 | 178.2 | 47 | 0 | 0 | 0 | 0 | 117.5 | | |
| 328 | G | 33.6 | Very low | 36.2 | Very low | 75 Ų | 75 | 141.2 Ų | 141.2 | 77% | 0.773 | 85% | 0.853 | S | S | * | * | | | trans | -177.1 | 66.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 329 | V | 40.9 | Very low | 36.3 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 82% | 0.818 | 86% | 0.86 | S | S | * | * | | | trans | 36.9 | 117.5 | 154.8 | -172.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 330 | S | 33.3 | Very low | 36.3 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 86% | 0.859 | S | S | * | * | | | trans | 27 | 134.5 | 141.4 | -46.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 331 | M | 38.6 | Very low | 36.7 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 93% | 0.931 | 86% | 0.86 | S | S | * | * | | | cis | -145.7 | -179.7 | 44.2 | -82 | -160.6 | -70.5 | 0 | 0 | 114.6 | | |
| 332 | T | 38 | Very low | 36.8 | Very low | 131 Ų | 131 | 122 Ų | 122 | 80% | 0.804 | 86% | 0.857 | S | S | * | * | | | trans | -101.9 | 139.8 | -161.2 | 51.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 333 | T | 39.1 | Very low | 37 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 95% | 0.951 | 86% | 0.855 | S | S | * | * | | | trans | -148.3 | 97.1 | 150.5 | -27.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 334 | R | 34.5 | Very low | 37.5 | Very low | 241 Ų | 241 | 124.2 Ų | 124.2 | 91% | 0.909 | 85% | 0.852 | S | S | * | * | | | trans | -138.4 | 94.1 | -177.1 | -145.9 | -170.8 | -172 | -135.8 | 1.9 | 109.1 | | |
| 335 | S | 35 | Very low | 38.1 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | | | trans | -166.4 | 84.7 | 169.3 | -98.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 336 | A | 31.2 | Very low | 38.4 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 85% | 0.854 | S | S | * | * | | | trans | -156.6 | 29.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 337 | S | 39.5 | Very low | 38.2 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -160.3 | 51 | -171.9 | 66.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 338 | A | 36.4 | Very low | 38.1 | Very low | 104 Ų | 104 | 131.9 Ų | 131.9 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | | | trans | -162 | 107.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 339 | A | 37.6 | Very low | 38.2 | Very low | 108 Ų | 108 | 136 Ų | 136 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -154.5 | 25.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 340 | A | 39 | Very low | 37.9 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -155.1 | 33.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 341 | A | 42 | Very low | 38 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | | | trans | -167 | 70.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 342 | A | 39.7 | Very low | 38.3 | Very low | 106 Ų | 106 | 130.7 Ų | 130.7 | 88% | 0.876 | 83% | 0.832 | S | S | * | * | | | trans | -152.4 | 59.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 343 | A | 37.5 | Very low | 38.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -138.8 | 137.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 344 | S | 41.8 | Very low | 38.4 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | 71.6 | 156.6 | -166.9 | -160.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 345 | Q | 46.1 | Very low | 38.7 | Very low | 181 Ų | 181 | 125.7 Ų | 125.7 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | | | trans | 68.3 | 83.2 | -170.8 | -46.5 | -140.3 | -43.3 | 0 | 0 | 112.1 | | |
| 346 | D | 39.9 | Very low | 39 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | | | cis | 76.5 | 160.9 | 46.9 | -153.8 | 4.8 | 0 | 0 | 0 | 113.2 | | |
| 347 | S | 38.4 | Very low | 39.3 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | | | trans | -103.3 | 160.6 | -136.6 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 348 | R | 38.4 | Very low | 39.2 | Very low | 212 Ų | 212 | 127.6 Ų | 127.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | 144 | 151.9 | 157.3 | -86.8 | -176.4 | 150.1 | 144.9 | 0.8 | 112.6 | | |
| 349 | E | 34.6 | Very low | 39.1 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | cis | -167.4 | 156.8 | -23.5 | -122.3 | 167.9 | -136.3 | 0 | 0 | 106 | | |
| 350 | G | 35.9 | Very low | 39.2 | Very low | 73 Ų | 73 | 130.3 Ų | 130.3 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 127 | 102.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 351 | S | 35.9 | Very low | 38.9 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | cis | 90.9 | 87 | 32.3 | -165.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 352 | V | 43.4 | Very low | 38.7 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -179.2 | 153.2 | 141.8 | -89.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 353 | D | 36.2 | Very low | 38.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | cis | -171.2 | 159.3 | -39.8 | -121.5 | -51.4 | 0 | 0 | 0 | 106.8 | | |
| 354 | S | 43.5 | Very low | 38.6 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 74.6 | 153.4 | 175.5 | -41.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 355 | K | 40.9 | Very low | 38.4 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 74% | 0.739 | 77% | 0.771 | S | S | * | * | | | cis | 179.9 | 160.1 | -43.5 | 160.5 | 170.2 | 175.8 | -179.3 | 0 | 109.2 | | |
| 356 | D | 41.5 | Very low | 38.2 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | | | trans | 72.8 | 150.9 | 171.4 | -62.6 | -27.2 | 0 | 0 | 0 | 116.9 | | |
| 357 | Q | 37.7 | Very low | 38.3 | Very low | 165 Ų | 165 | 135.9 Ų | 135.9 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | cis | -166.4 | 161.9 | -25 | -173.1 | 161.3 | 17.6 | 0 | 0 | 110.7 | | |
| 358 | S | 36.3 | Very low | 38.3 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | | | trans | 65.8 | 135.3 | 178 | 65.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 359 | V | 35.9 | Very low | 38.4 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | cis | 86.1 | 88.5 | 23.7 | -172.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 360 | V | 39.2 | Very low | 39.1 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | -145.3 | 147.1 | 139.1 | -174.9 | 0 | 0 | 0 | 0 | 107 | | |
| 361 | N | 33.1 | Very low | 39.2 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | | | trans | -110 | 153.8 | 171.9 | -57.9 | -63.1 | 0 | 0 | 0 | 109.8 | | |
| 362 | D | 36.9 | Very low | 39.5 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -166.3 | 121.2 | 144 | -102.4 | -27.3 | 0 | 0 | 0 | 112.8 | | |
| 363 | P | 38.6 | Very low | 39.1 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -129.2 | 130.6 | 165.7 | 35.8 | -21.4 | 0 | 0 | 0 | 112.9 | | |
| 364 | Y | 37.6 | Very low | 39.2 | Very low | 215 Ų | 215 | 141.1 Ų | 141.1 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | -150.1 | 126 | -178.7 | -122.4 | -89.5 | 0 | 0 | 0 | 116.2 | | |
| 365 | S | 36.9 | Very low | 38.9 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | 42.9 | 158.4 | 152.7 | -58 | 0 | 0 | 0 | 0 | 122.8 | | |
| 366 | A | 42.2 | Very low | 38.4 | Very low | 77 Ų | 77 | 139.8 Ų | 139.8 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -139.9 | 146 | 7.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 367 | E | 40.6 | Very low | 38.3 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | | 62.3 | 135.7 | 99.1 | -56.6 | 176.6 | 173 | 0 | 0 | 114.9 | | |
| 368 | C | 40.1 | Very low | 38 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | cis | -127.6 | 149.6 | 19.5 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 369 | I | 39.8 | Very low | 37.7 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | | 61.5 | 111.3 | 69.5 | -56.2 | 172.6 | 0 | 0 | 0 | 110.8 | | |
| 370 | D | 48.2 | Very low | 37.4 | Very low | 161 Ų | 161 | 143.1 Ų | 143.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | | -131.6 | 171.7 | 71.6 | -116.5 | -38.7 | 0 | 0 | 0 | 118.4 | | |
| 371 | Q | 39.5 | Very low | 37.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -121.4 | -171.7 | -170.7 | -94.2 | -170.9 | 12.3 | 0 | 0 | 112.8 | | |
| 372 | P | 40.9 | Very low | 37 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | cis | -118.6 | -163.1 | -12.8 | 30 | -7 | 0 | 0 | 0 | 110.9 | | |
| 373 | Y | 35 | Very low | 36.9 | Very low | 216 Ų | 216 | 146.9 Ų | 146.9 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | cis | -153.3 | 165.9 | 19 | -173.9 | -109.9 | 0 | 0 | 0 | 111.7 | | |
| 374 | V | 39.1 | Very low | 36.6 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | | | trans | -110.1 | -175.4 | -169 | -105 | 0 | 0 | 0 | 0 | 111.3 | | |
| 375 | P | 36.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 140.2 Ų | 140.2 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -130.6 | 169.9 | 7.9 | 40.1 | -22.5 | 0 | 0 | 0 | 117.2 | | |
| 376 | I | 30.7 | Very low | 36.7 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -93.1 | 129.6 | 155 | -67.7 | 170 | 0 | 0 | 0 | 107.5 | T378 | I376-T378 HydrophobicContact CG2-CG2 3.97Š|
| 377 | E | 39.5 | Very low | 36.6 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | | | trans | -96.2 | 144 | 153.7 | -72.3 | -152.9 | 152.6 | 0 | 0 | 110.2 | | |
| 378 | T | 30.6 | Very low | 36.4 | Very low | 111 Ų | 111 | 141.9 Ų | 141.9 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | | | trans | -113.3 | 158.3 | 179 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | I376 | I376-T378 HydrophobicContact CG2-CG2 3.97Š|
| 379 | S | 29.5 | Very low | 36.3 | Very low | 83 Ų | 83 | 143.3 Ų | 143.3 | 58% | 0.58 | 77% | 0.773 | S | S | * | * | | | trans | 82.7 | 176.1 | 153.4 | 81.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 380 | Y | 29.8 | Very low | 36.2 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | 78.6 | 134.6 | 178.1 | -35.2 | -61.9 | 0 | 0 | 0 | 120.1 | | |
| 381 | S | 34.2 | Very low | 35.8 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | | | trans | 80.2 | 96.1 | 151.9 | -149.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 382 | K | 30.2 | Very low | 35.9 | Very low | 207 Ų | 207 | 140.7 Ų | 140.7 | 90% | 0.9 | 76% | 0.759 | S | S | * | * | | | trans | -69.5 | 141.4 | 146.9 | -65 | 172.8 | 177.8 | 174.3 | 0 | 109.2 | | |
| 383 | K | 34.4 | Very low | 35.8 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 88% | 0.878 | 76% | 0.759 | S | S | * | * | | | trans | -149.3 | 159.8 | 155.8 | -121.2 | 170.1 | -174.5 | 176.6 | 0 | 112.8 | | |
| 384 | S | 32.9 | Very low | 36.1 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 75% | 0.752 | S | S | * | * | | | trans | -133.1 | 146.1 | -157.7 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 385 | G | 37.7 | Very low | 35.8 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | | | trans | -154.3 | 147.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 386 | N | 38.8 | Very low | 35.7 | Very low | 142 Ų | 142 | 141.8 Ų | 141.8 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | cis | -146.5 | 159.9 | 6.7 | -96.2 | -29.7 | 0 | 0 | 0 | 111 | | |
| 387 | I | 40 | Very low | 36 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | | 27.9 | 126.3 | 128.7 | -47.9 | 167 | 0 | 0 | 0 | 115.2 | | |
| 388 | A | 37.1 | Very low | 36.2 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | cis | -174 | -179.2 | 12.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 389 | L | 36.6 | Very low | 36.5 | Very low | 145 Ų | 145 | 139 Ų | 139 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | cis | -178.2 | 135.6 | -33 | 178.4 | 140.7 | 0 | 0 | 0 | 107.5 | | |
| 390 | H | 39.2 | Very low | 36.9 | Very low | 153 Ų | 153 | 146.6 Ų | 146.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | trans | 64.2 | 159.4 | -179.7 | -83 | -124.3 | 0 | 0 | 0 | 116.1 | | |
| 391 | D | 39.3 | Very low | 37.2 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | | | cis | -150.6 | 163.9 | 7.6 | -135.1 | -30.1 | 0 | 0 | 0 | 115.7 | | |
| 392 | I | 42 | Very low | 37.5 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | 69 | 147.2 | 153.3 | -76.6 | 156.4 | 0 | 0 | 0 | 120 | | |
| 393 | P | 39.3 | Very low | 37.8 | Very low | 112 Ų | 112 | 154.2 Ų | 154.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -131.3 | 172.9 | -141.6 | 44.2 | -29.4 | 0 | 0 | 0 | 119.4 | | |
| 394 | Q | 40.5 | Very low | 37.8 | Very low | 149 Ų | 149 | 147.9 Ų | 147.9 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | | | trans | 11.5 | 144 | 148.6 | -71.6 | -164.7 | 34.9 | 0 | 0 | 123.5 | | |
| 395 | R | 33.8 | Very low | 38 | Very low | 234 Ų | 234 | 147.4 Ų | 147.4 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | 68.6 | 126.7 | 148.8 | -68.8 | 168.4 | -164.3 | -122.6 | 2.1 | 118.9 | | |
| 396 | G | 34.2 | Very low | 37.9 | Very low | 77 Ų | 77 | 147.9 Ų | 147.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 175.4 | 108.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K398 | G396-K398 PolarHBondContact O-N 2.95Š|
| 397 | A | 36.9 | Very low | 38.1 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -81.2 | 118.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 398 | K | 42.8 | Very low | 37.9 | Very low | 215 Ų | 215 | 156.5 Ų | 156.5 | 94% | 0.935 | 81% | 0.809 | S | S | * | * | | | trans | -146 | 154.8 | 163.1 | -80.5 | 175.9 | -176.6 | 166 | 0 | 108.2 | G396 | G396-K398 PolarHBondContact O-N 2.95Š|
| 399 | G | 37.1 | Very low | 38 | Very low | 70 Ų | 70 | 158.3 Ų | 158.3 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | | | cis | 165.1 | 82.8 | -0.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | R401 | G399-R401 PolarHBondContact O-N 3.18Š|
| 400 | R | 37.7 | Very low | 38.1 | Very low | 242 Ų | 242 | 156.5 Ų | 156.5 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | | | trans | -13.2 | 101.7 | 167.7 | -174.7 | -164.1 | -165.1 | -158.9 | 9.3 | 117.3 | | |
| 401 | R | 37.6 | Very low | 38 | Very low | 236 Ų | 236 | 158.8 Ų | 158.8 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -161.1 | 133.7 | 148.1 | -90.9 | 132.2 | -161.1 | -94.7 | 6.4 | 107.1 | G399 | G399-R401 PolarHBondContact O-N 3.18Š|
| 402 | R | 40.7 | Very low | 37.9 | Very low | 214 Ų | 214 | 159.6 Ų | 159.6 | 81% | 0.808 | 83% | 0.825 | S | S | * | * | | | cis | 70.5 | 117.7 | 36.2 | -90.3 | -162.9 | -177.7 | -126.7 | 9 | 115.9 | | |
| 403 | R | 35.8 | Very low | 37.7 | Very low | 238 Ų | 238 | 157.8 Ų | 157.8 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | 78.8 | 155.7 | 165.2 | -50.9 | -177.8 | -167.2 | -134.1 | 6.9 | 116.6 | | |
| 404 | G | 33.4 | Very low | 37.2 | Very low | 68 Ų | 68 | 156.2 Ų | 156.2 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | | | trans | 111 | 98.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 405 | A | 38.8 | Very low | 37 | Very low | 110 Ų | 110 | 154.6 Ų | 154.6 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | | 49.8 | 103.4 | 75 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 406 | G | 33.8 | Very low | 37.1 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | | | cis | 117.2 | 104.1 | 19.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 407 | R | 43.4 | Very low | 37.1 | Very low | 253 Ų | 253 | 150.5 Ų | 150.5 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | | | trans | -130 | 145.6 | 176.6 | -72.6 | -172.2 | 176.9 | -104.8 | -1.6 | 110.1 | | |
| 408 | R | 36 | Very low | 37.2 | Very low | 225 Ų | 225 | 151.2 Ų | 151.2 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | | | trans | -99.5 | 146.2 | 178.8 | -56.3 | 170.7 | -177.7 | 166.1 | -1.1 | 108.8 | V410 | R408-V410 HydrophobicContact CB-CG2 3.83Š|
| 409 | S | 39.6 | Very low | 36.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -113 | 97.9 | 132.6 | -67.9 | 0 | 0 | 0 | 0 | 104.8 | | |
| 410 | V | 39 | Very low | 36.8 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 65% | 0.648 | 80% | 0.798 | S | S | * | * | | | | 71.1 | 119.1 | 65.5 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | R408 | R408-V410 HydrophobicContact CB-CG2 3.83Š|
| 411 | R | 36.8 | Very low | 36.6 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | -72.5 | 161.7 | 176.1 | -51.7 | 163.3 | 173.2 | 152.6 | -7.7 | 109.5 | I413 | R411-I413 HydrophobicContact CB-CG1 4.17Å; R411-I413 PolarHBondContact O-N 3.15Å; R411-I413 VanDerWaalsContact O-N 3.08Å |
| 412 | P | 37.6 | Very low | 36.4 | Very low | 136 Ų | 136 | 140.1 Ų | 140.1 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -56.8 | 110.2 | 140.2 | -10.7 | 27.1 | 0 | 0 | 0 | 107.4 | | |
| 413 | I | 37.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 59% | 0.59 | 78% | 0.779 | S | S | * | * | | | trans | -95 | 128.3 | 167.6 | -70.8 | 177.7 | 0 | 0 | 0 | 105.7 | R411 V415 | R411-I413 HydrophobicContact CB-CG1 4.17Å; R411-I413 PolarHBondContact O-N 3.15Å; R411-I413 VanDerWaalsContact O-N 3.08Å; I413-V415 HydrophobicContact CG2-CG2 4.19Å |
| 414 | G | 28.4 | Very low | 36.2 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -68.3 | 137.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 415 | V | 36.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 77% | 0.773 | S | S | * | * | | | trans | -135.6 | 116.1 | -174.3 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | I413 | I413-V415 HydrophobicContact CG2-CG2 4.19Š|
| 416 | V | 35.7 | Very low | 36 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | trans | 64.9 | 106.1 | 157.8 | 175.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 417 | S | 33.5 | Very low | 36.2 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | | 60.8 | 124.2 | 66.2 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 418 | P | 39.8 | Very low | 35.8 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | | -109.2 | 165.8 | 56.6 | 2.2 | 20.3 | 0 | 0 | 0 | 112.4 | | |
| 419 | S | 31.9 | Very low | 36.1 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | cis | 84.4 | 143 | 33.1 | -151.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 420 | L | 39 | Very low | 35.8 | Very low | 144 Ų | 144 | 126.2 Ų | 126.2 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | | | trans | 73.1 | 127.7 | -163.8 | -48.9 | 173.8 | 0 | 0 | 0 | 112.3 | | |
| 421 | E | 34.7 | Very low | 35.7 | Very low | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 74% | 0.741 | S | S | * | * | | | cis | 69.5 | 127.1 | 42.8 | -57.1 | 179.1 | 170.1 | 0 | 0 | 111.6 | | |
| 422 | C | 31.7 | Very low | 36 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | | | cis | -147.3 | 139 | 6 | -107.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 423 | S | 34.7 | Very low | 36.2 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | | 78.6 | 142.5 | 102.7 | -57 | 0 | 0 | 0 | 0 | 118 | | |
| 424 | I | 38.4 | Very low | 36.2 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | 84.3 | 109.9 | 149.1 | -71.1 | 158.8 | 0 | 0 | 0 | 119.9 | | |
| 425 | N | 34.2 | Very low | 36.7 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | trans | 72.3 | 114.1 | 139.6 | -62.8 | 6.2 | 0 | 0 | 0 | 124.4 | | |
| 426 | S | 33.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | | 65.8 | 144.8 | 115.9 | -51 | 0 | 0 | 0 | 0 | 123.5 | | |
| 427 | S | 38.2 | Very low | 36.9 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | trans | 62.2 | 120.2 | 166.5 | 31.6 | 0 | 0 | 0 | 0 | 116.9 | | |
| 428 | L | 35.2 | Very low | 37.2 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 73% | 0.734 | S | S | * | * | | | cis | 66.7 | 128.5 | 38.2 | -163.4 | 78.3 | 0 | 0 | 0 | 113.3 | | |
| 429 | P | 41.4 | Very low | 37.5 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | | | cis | -131.3 | -159.1 | -19.7 | 37.5 | -17.9 | 0 | 0 | 0 | 113.1 | | |
| 430 | E | 33.9 | Very low | 38 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 79% | 0.794 | 74% | 0.735 | S | S | * | * | | | trans | 71.7 | 150.1 | 163.4 | -64.7 | 165.1 | -145.7 | 0 | 0 | 115.5 | | |
| 431 | T | 36.5 | Very low | 38.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | | | cis | -157.4 | 135.9 | 31.6 | -42.4 | 0 | 0 | 0 | 0 | 113 | | |
| 432 | K | 43.5 | Very low | 38.5 | Very low | 170 Ų | 170 | 132.5 Ų | 132.5 | 74% | 0.739 | 73% | 0.731 | S | S | * | * | | | trans | 54.1 | 151.7 | 151.7 | -72.6 | 170.7 | -166.3 | 164.1 | 0 | 123.2 | | |
| 433 | Q | 41.2 | Very low | 38.7 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | | | trans | 71.1 | 141 | 141.1 | -80.6 | 162.7 | -31.7 | 0 | 0 | 119.5 | | |
| 434 | T | 38.5 | Very low | 38.9 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | cis | -164.7 | 164.9 | -22.3 | 0.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 435 | L | 39.2 | Very low | 38.8 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | | | trans | 64.7 | 108.8 | 158.8 | -93.6 | 96.8 | 0 | 0 | 0 | 119.9 | | |
| 436 | N | 35.8 | Very low | 39.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | | | | 84 | 132.4 | 112.8 | -81.4 | 50.3 | 0 | 0 | 0 | 124.5 | | |
| 437 | D | 38.9 | Very low | 39.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 75% | 0.751 | S | S | * | * | | | trans | 84.2 | 121.1 | 137.5 | -53.1 | -18.9 | 0 | 0 | 0 | 123.1 | | |
| 438 | D | 41.7 | Very low | 39.5 | Very low | 148 Ų | 148 | 139.7 Ų | 139.7 | 79% | 0.791 | 76% | 0.757 | S | S | * | * | | | trans | 83.7 | 145.2 | 145.6 | -67.1 | -21.7 | 0 | 0 | 0 | 125.2 | | |
| 439 | T | 45.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 138.2 Ų | 138.2 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | 70.9 | 88.1 | 165.6 | 51.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 440 | D | 41.2 | Very low | 39.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | | 53.4 | 149 | 112.6 | -81.6 | -21.8 | 0 | 0 | 0 | 124.8 | | |
| 441 | N | 42.7 | Very low | 39.8 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | | | trans | 88.6 | 116.5 | 153.3 | -80.4 | -65.1 | 0 | 0 | 0 | 122.2 | | |
| 442 | Q | 43.3 | Very low | 39.7 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | 76.2 | 90.4 | 135.9 | -66.7 | 178.7 | 50.1 | 0 | 0 | 121.8 | | |
| 443 | A | 35.6 | Very low | 39.3 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | | 80.1 | 153.1 | 111.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 444 | N | 37.5 | Very low | 39.4 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | 61.7 | 89.6 | 161.8 | -59.9 | -30.3 | 0 | 0 | 0 | 118.2 | | |
| 445 | L | 37.8 | Very low | 39.9 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -138.7 | 125.7 | 142.5 | -115.2 | 170.5 | 0 | 0 | 0 | 110.9 | | |
| 446 | L | 42.7 | Very low | 40.3 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | | | trans | -85.7 | 136.2 | 165.9 | -71.8 | 165.4 | 0 | 0 | 0 | 108.2 | | |
| 447 | S | 38.1 | Very low | 41.7 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -142.2 | 123.7 | 168 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | V449 | S447-V449 PolarHBondContact O-N 2.85Š|
| 448 | D | 40.2 | Very low | 43.7 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 92% | 0.92 | 75% | 0.753 | S | S | * | * | | | trans | -69.6 | 122.9 | 170.1 | -68.6 | -66.4 | 0 | 0 | 0 | 109.4 | | |
| 449 | V | 39.7 | Very low | 45.7 | Very low | 131 Ų | 131 | 129 Ų | 129 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | | | trans | -119.1 | 118.1 | 168.5 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | S447 | S447-V449 PolarHBondContact O-N 2.85Š|
| 450 | S | 39.6 | Very low | 47.7 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | | | trans | -80.4 | 151.4 | 174.1 | -69.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 451 | S | 35.9 | Very low | 50.1 | Low | 108 Ų | 108 | 122.2 Ų | 122.2 | 76% | 0.755 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 66.2 | 139 | 161.4 | 51.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 452 | S | 34.4 | Very low | 52.6 | Low | 111 Ų | 111 | 116.5 Ų | 116.5 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 73.8 | 133.7 | 168.1 | 74.4 | 0 | 0 | 0 | 0 | 119 | S454 | S452-S454 PolarHBondContact O-N 2.84Š|
| 453 | N | 35.8 | Very low | 54.8 | Low | 167 Ų | 167 | 113 Ų | 113 | 89% | 0.893 | 67% | 0.672 | S | S | * | * | | | trans | 23.1 | 80.8 | 162 | -62.5 | 5.2 | 0 | 0 | 0 | 118.6 | | |
| 454 | S | 42.7 | Very low | 57.4 | Low | 95 Ų | 95 | 111 Ų | 111 | 66% | 0.664 | 65% | 0.648 | S | S | * | * | | | trans | -103.3 | 112 | 153.1 | 51 | 0 | 0 | 0 | 0 | 110.6 | S452 C456 | S452-S454 PolarHBondContact O-N 2.84Å; S454-C456 PolarHBondContact O-N 2.85Å |
| 455 | D | 49.2 | Very low | 59.8 | Low | 143 Ų | 143 | 110.3 Ų | 110.3 | 77% | 0.765 | 64% | 0.644 | S | S | * | * | | | trans | -71.7 | 65.6 | 168.6 | -104.1 | -56.2 | 0 | 0 | 0 | 110.4 | K457 | D455-K457 PolarHBondContact O-N 2.8Š|
| 456 | C | 48.3 | Very low | 62.2 | Low | 79 Ų | 79 | 106 Ų | 106 | 53% | 0.534 | 64% | 0.641 | S | S | . | * | | | trans | -55.5 | 109.4 | 171.1 | -74.8 | 0 | 0 | 0 | 0 | 108.1 | S454 L458 | S454-C456 PolarHBondContact O-N 2.85Å; C456-L458 PolarHBondContact O-N 2.83Å |
| 457 | K | 66.1 | Low | 64.5 | Low | 184 Ų | 184 | 98.8 Ų | 98.8 | 80% | 0.8 | 60% | 0.604 | S | S | * | * | | | trans | -71 | 59.5 | -176.3 | -70.2 | -177.4 | 178.6 | 175.6 | 0 | 112.2 | D455 | D455-K457 PolarHBondContact O-N 2.8Š|
| 458 | L | 80.1 | Confident | 67 | Low | 64 Ų | 64 | 102.8 Ų | 102.8 | 34% | 0.335 | 61% | 0.611 | S | S | . | * | | | trans | -54.1 | 123.2 | 172.4 | -69 | 174 | 0 | 0 | 0 | 108.4 | C456 L460 R470 A472 | C456-L458 PolarHBondContact O-N 2.83Å; L458-L460 VanDerWaalsContact C-N 3.27Å; L458-L460 PolarHBondContact O-N 2.92Å; L458-R470 HydrophobicContact CB-CB 3.65Å; L458-R470 HydrophobicContact CD1-CB 4.18Å; L458-R470 WeakPolarHBondContact CD1-O 3.31Å; L458-R470 PolarHBondContact O-NE 2.96Å; L458-R470 PolarHBondContact O-NH2 3.13Å; L458-A472 HydrophobicContact CD2-CB 3.95Å |
| 459 | P | 83.1 | Confident | 69.4 | Low | 97 Ų | 97 | 100.5 Ų | 100.5 | 63% | 0.63 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -70.2 | -20.1 | -160.4 | 24.7 | -35.4 | 0 | 0 | 0 | 114.3 | F471 | P459-F471 WeakPolarHBondContact CD-O 3.14Š|
| 460 | L | 88.4 | Confident | 71.9 | Confident | 59 Ų | 59 | 99 Ų | 99 | 31% | 0.309 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.3 | 117.8 | -175.4 | -57.3 | 175.2 | 0 | 0 | 0 | 110.5 | L458 R470 F471 I474 M477 | L458-L460 VanDerWaalsContact C-N 3.27Å; L458-L460 PolarHBondContact O-N 2.92Å; L460-R470 CarbonylContact O-C 3.54Å; L460-R470 VanDerWaalsContact O-CA 3.23Å; L460-R470 WeakPolarHBondContact O-CA 3.44Å; L460-F471 HydrophobicContact CB-CB 4.48Å; L460-F471 PolarHBondContact N-O 2.87Å; L460-F471 PolarHBondContact O-N 2.78Å; L460-I474 HydrophobicContact CD1-CB 3.98Å; L460-M477 HydrophobicContact CB-CB 4.47Å |
| 461 | S | 92.1 | Very high | 74.5 | Confident | 77 Ų | 77 | 95.6 Ų | 95.6 | 54% | 0.538 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 161.7 | 166.4 | 47 | 0 | 0 | 0 | 0 | 111.5 | K469 | S461-K469 CarbonylContact C-O 3.58Å |
| 462 | C | 94 | Very high | 77.2 | Confident | 9 Ų | 9 | 94 Ų | 94 | 6% | 0.061 | 54% | 0.539 | C | S | . | . | | | trans | -71.1 | 133.2 | 165.5 | -165.2 | 0 | 0 | 0 | 0 | 109.9 | F464 C467 K469 F471 H485 | C462-F464 PolarHBondContact O-N 3.17Å; C462-C467 HydrophobicContact CB-CB 3.94Å; C462-K469 PolarHBondContact N-O 2.93Å; C462-F471 HydrophobicContact CB-CE2 4.3Å; C462-H485 PolarHBondContact SG-NE2 2.9Å; C462-H485 VanDerWaalsContact SG-NE2 3.35Å |
| 463 | P | 90.7 | Very high | 79.8 | Confident | 94 Ų | 94 | 92 Ų | 92 | 61% | 0.61 | 52% | 0.52 | S | S | * | . | | | trans | -81.8 | 6 | 175.9 | 33.3 | -35.8 | 0 | 0 | 0 | 113.7 | F481 | P463-F481 HydrophobicContact CG-CD2 3.88Å; P463-F481 HydrophobicContact CG-CE2 3.84Å |
| 464 | F | 89.5 | Confident | 82.4 | Confident | 40 Ų | 40 | 87.2 Ų | 87.2 | 18% | 0.175 | 49% | 0.493 | C | S | . | . | S | Bend | trans | -79.2 | 132.1 | 176 | -170.8 | -86.2 | 0 | 0 | 0 | 110.7 | C462 G466 C467 F481 H485 Q489 | C462-F464 PolarHBondContact O-N 3.17Å; F464-G466 PolarHBondContact O-N 2.94Å; F464-C467 HydrophobicContact CB-CB 4.02Å; F464-C467 HydrophobicContact CD1-CB 4.27Å; F464-C467 VanDerWaalsContact O-CB 3.29Å; F464-C467 WeakPolarHBondContact O-CB 3.48Å; F464-C467 PolarHBondContact O-N 3.26Å; F464-F481 HydrophobicContact CB-CD2 4.46Å; F464-F481 HydrophobicContact CB-CE2 4.33Å; F464-H485 WeakPolarHBondContact CB-NE2 3.4Å; F464-H485 AromaticContact CD1-CE1 3.52Å; F464-H485 AromaticContact CD1-CG 3.8Å; F464-H485 AromaticContact CD1-ND1 3.28Å; F464-H485 VanDerWaalsContact CD1-ND1 3.28Å; F464-H485 WeakPolarHBondContact CD1-ND1 3.4Å; F464-H485 HydrophobicContact CD2-CB 3.71Å; F464-H485 AromaticContact CD2-CG 3.59Å; F464-H485 AromaticContact CD2-ND1 3.95Å; F464-H485 AromaticContact CE1-ND1 3.73Å; F464-H485 HydrophobicContact CE2-CB 3.91Å; F464-H485 HydrophobicContact CG-CB 4.09Å; F464-H485 AromaticContact CG-CD2 3.69Å; F464-H485 AromaticContact CG-CE1 3.68Å; F464-H485 AromaticContact CG-CG 3.43Å; F464-H485 VanDerWaalsContact CG-CG 3.43Å; F464-H485 AromaticContact CG-ND1 3.43Å; F464-H485 WeakPolarHBondContact CG-ND1 3.41Å; F464-H485 AromaticContact CG-NE2 3.85Å; F464-H485 HydrophobicContact CZ-CB 4.44Å; F464-Q489 HydrophobicContact CE2-CG 4.32Å |
| 465 | N | 87.2 | Confident | 84.7 | Confident | 145 Ų | 145 | 88.4 Ų | 88.4 | 78% | 0.775 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 129.7 | -175.2 | -157.9 | 38.3 | 0 | 0 | 0 | 111.3 | C467 | N465-C467 VanDerWaalsContact C-N 3.34Š|
| 466 | G | 87.8 | Confident | 86.8 | Confident | 78 Ų | 78 | 84.4 Ų | 84.4 | 80% | 0.804 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 15.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F464 | F464-G466 PolarHBondContact O-N 2.94Š|
| 467 | C | 91.4 | Very high | 88.9 | Confident | 19 Ų | 19 | 82.1 Ų | 82.1 | 13% | 0.128 | 46% | 0.457 | C | S | . | . | | | trans | -108.5 | 103.2 | 173.7 | -168.6 | 0 | 0 | 0 | 0 | 113.1 | C462 F464 N465 K469 H480 H485 | C462-C467 HydrophobicContact CB-CB 3.94Å; F464-C467 HydrophobicContact CB-CB 4.02Å; F464-C467 HydrophobicContact CD1-CB 4.27Å; F464-C467 VanDerWaalsContact O-CB 3.29Å; F464-C467 WeakPolarHBondContact O-CB 3.48Å; F464-C467 PolarHBondContact O-N 3.26Å; N465-C467 VanDerWaalsContact C-N 3.34Å; C467-K469 PolarHBondContact O-N 3.46Å; C467-H480 PolarHBondContact SG-NE2 3.22Å; C467-H485 VanDerWaalsContact CB-CE1 3.45Å; C467-H485 WeakPolarHBondContact CB-CE1 3.39Å; C467-H485 PolarHBondContact SG-CE1 3.45Å; C467-H485 PolarHBondContact SG-NE2 3.01Å |
| 468 | E | 90.3 | Very high | 90 | Very high | 184 Ų | 184 | 80.1 Ų | 80.1 | 86% | 0.86 | 44% | 0.444 | S | S | * | . | | | trans | -81.4 | 4.4 | -178.2 | -59.5 | 178.9 | 159.9 | 0 | 0 | 114 | | |
| 469 | K | 91 | Very high | 90.6 | Very high | 124 Ų | 124 | 83.9 Ų | 83.9 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | | | trans | -70.7 | 135.4 | -175.9 | -58.6 | -160.5 | -171.4 | -167.4 | 0 | 111.6 | S461 C462 C467 F471 | S461-K469 CarbonylContact C-O 3.58Å; C462-K469 PolarHBondContact N-O 2.93Å; C467-K469 PolarHBondContact O-N 3.46Å; K469-F471 HydrophobicContact CB-CE2 3.86Å; K469-F471 HydrophobicContact CB-CZ 3.62Å; K469-F471 WeakPolarHBondContact O-CE2 3.4Å |
| 470 | R | 93 | Very high | 91.1 | Very high | 101 Ų | 101 | 80.3 Ų | 80.3 | 38% | 0.381 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 156 | -179.1 | -53.1 | 174.6 | 65.1 | 162.2 | 6.6 | 111.5 | L458 L460 | L458-R470 HydrophobicContact CB-CB 3.65Å; L458-R470 HydrophobicContact CD1-CB 4.18Å; L458-R470 WeakPolarHBondContact CD1-O 3.31Å; L458-R470 PolarHBondContact O-NE 2.96Å; L458-R470 PolarHBondContact O-NH2 3.13Å; L460-R470 CarbonylContact O-C 3.54Å; L460-R470 VanDerWaalsContact O-CA 3.23Å; L460-R470 WeakPolarHBondContact O-CA 3.44Å |
| 471 | F | 94.3 | Very high | 91.1 | Very high | 30 Ų | 30 | 81.9 Ų | 81.9 | 13% | 0.132 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 146.3 | -167.4 | -57.7 | -77.9 | 0 | 0 | 0 | 112.6 | P459 L460 C462 K469 M477 H480 | P459-F471 WeakPolarHBondContact CD-O 3.14Å; L460-F471 HydrophobicContact CB-CB 4.48Å; L460-F471 PolarHBondContact N-O 2.87Å; L460-F471 PolarHBondContact O-N 2.78Å; C462-F471 HydrophobicContact CB-CE2 4.3Å; K469-F471 HydrophobicContact CB-CE2 3.86Å; K469-F471 HydrophobicContact CB-CZ 3.62Å; K469-F471 WeakPolarHBondContact O-CE2 3.4Å; F471-M477 HydrophobicContact CB-CB 3.88Å; F471-M477 HydrophobicContact CD2-CB 3.6Å; F471-M477 HydrophobicContact CD2-CG 3.76Å; F471-M477 HydrophobicContact CE2-CB 4.45Å; F471-M477 HydrophobicContact CE2-CG 4.35Å; F471-M477 HydrophobicContact CG-CB 3.78Å; F471-M477 HydrophobicContact CG-CG 4.45Å; F471-H480 HydrophobicContact CE1-CB 3.67Å; F471-H480 HydrophobicContact CE2-CB 4.11Å; F471-H480 AromaticContact CE2-CD2 3.56Å; F471-H480 HydrophobicContact CZ-CB 3.36Å; F471-H480 AromaticContact CZ-CD2 3.23Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.06Å; F471-H480 AromaticContact CZ-CG 3.37Å |
| 472 | A | 91.3 | Very high | 90.9 | Very high | 73 Ų | 73 | 83 Ų | 83 | 60% | 0.603 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -75.2 | -31.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L458 | L458-A472 HydrophobicContact CD2-CB 3.95Š|
| 473 | D | 88.8 | Confident | 90.5 | Very high | 71 Ų | 71 | 87.6 Ų | 87.6 | 38% | 0.38 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -140.3 | 155.2 | -175.6 | 173.9 | 52 | 0 | 0 | 0 | 112.1 | L475 S476 M477 | D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 2.87Å; D473-L475 WeakPolarHBondContact OD2-CB 3.32Å; D473-L475 WeakPolarHBondContact OD2-CG 3.47Å; D473-L475 PolarHBondContact OD2-N 2.89Å; D473-S476 PolarHBondContact O-N 3.32Å; D473-M477 PolarHBondContact O-N 2.8Å; D473-M477 VanDerWaalsContact O-N 3.1Å |
| 474 | I | 91.6 | Very high | 90.1 | Very high | 66 Ų | 66 | 85 Ų | 85 | 34% | 0.338 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.7 | -27.9 | -178.9 | -163.5 | 172.1 | 0 | 0 | 0 | 112.6 | L460 M477 R478 | L460-I474 HydrophobicContact CD1-CB 3.98Å; I474-M477 HydrophobicContact CG1-CE 4.25Å; I474-R478 HydrophobicContact CG1-CG 4.36Å; I474-R478 VanDerWaalsContact O-CB 3.28Å; I474-R478 WeakPolarHBondContact O-CB 3.45Å; I474-R478 VanDerWaalsContact O-CG 3.23Å; I474-R478 WeakPolarHBondContact O-CG 3.34Å; I474-R478 PolarHBondContact O-N 3.06Å |
| 475 | L | 91.3 | Very high | 89.9 | Confident | 119 Ų | 119 | 84 Ų | 84 | 62% | 0.623 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -69.4 | -40.7 | 175.3 | -58.7 | 174.6 | 0 | 0 | 0 | 111.3 | D473 R478 F479 | D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 2.87Å; D473-L475 WeakPolarHBondContact OD2-CB 3.32Å; D473-L475 WeakPolarHBondContact OD2-CG 3.47Å; D473-L475 PolarHBondContact OD2-N 2.89Å; L475-R478 PolarHBondContact O-N 2.97Å; L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 2.91Å |
| 476 | S | 92.1 | Very high | 88.9 | Confident | 59 Ų | 59 | 83.3 Ų | 83.3 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.6 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | D473 F479 H480 | D473-S476 PolarHBondContact O-N 3.32Å; S476-F479 PolarHBondContact O-N 2.87Å; S476-H480 PolarHBondContact O-N 3.39Å |
| 477 | M | 92.5 | Very high | 87.6 | Confident | 31 Ų | 31 | 84.8 Ų | 84.8 | 15% | 0.153 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -62.3 | -46.9 | 175.1 | -176.3 | -88.1 | -81 | 0 | 0 | 111.6 | L460 F471 D473 I474 H480 F481 | L460-M477 HydrophobicContact CB-CB 4.47Å; F471-M477 HydrophobicContact CB-CB 3.88Å; F471-M477 HydrophobicContact CD2-CB 3.6Å; F471-M477 HydrophobicContact CD2-CG 3.76Å; F471-M477 HydrophobicContact CE2-CB 4.45Å; F471-M477 HydrophobicContact CE2-CG 4.35Å; F471-M477 HydrophobicContact CG-CB 3.78Å; F471-M477 HydrophobicContact CG-CG 4.45Å; D473-M477 PolarHBondContact O-N 2.8Å; D473-M477 VanDerWaalsContact O-N 3.1Å; I474-M477 HydrophobicContact CG1-CE 4.25Å; M477-H480 PolarHBondContact O-N 3.23Å; M477-F481 WeakPolarHBondContact O-CB 3.47Å; M477-F481 PolarHBondContact O-N 2.82Å |
| 478 | R | 90.7 | Very high | 86 | Confident | 142 Ų | 142 | 85.9 Ų | 85.9 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 177.1 | -76.6 | 172.7 | 173.4 | 174 | -1.2 | 112.5 | I474 L475 H480 F481 T482 | I474-R478 HydrophobicContact CG1-CG 4.36Å; I474-R478 VanDerWaalsContact O-CB 3.28Å; I474-R478 WeakPolarHBondContact O-CB 3.45Å; I474-R478 VanDerWaalsContact O-CG 3.23Å; I474-R478 WeakPolarHBondContact O-CG 3.34Å; I474-R478 PolarHBondContact O-N 3.06Å; L475-R478 PolarHBondContact O-N 2.97Å; R478-H480 VanDerWaalsContact C-N 3.32Å; R478-H480 PolarHBondContact O-N 3.46Å; R478-F481 PolarHBondContact O-N 3.3Å; R478-T482 PolarHBondContact O-N 3.28Å; R478-T482 PolarHBondContact O-OG1 3.28Å |
| 479 | F | 91 | Very high | 84.3 | Confident | 144 Ų | 144 | 83.7 Ų | 83.7 | 63% | 0.632 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.4 | -44.3 | 176 | 179.2 | -97.7 | 0 | 0 | 0 | 111.5 | L475 S476 M483 | L475-F479 WeakPolarHBondContact O-CB 3.41Å; L475-F479 PolarHBondContact O-N 2.91Å; S476-F479 PolarHBondContact O-N 2.87Å; F479-M483 HydrophobicContact CD2-CG 4.09Å; F479-M483 HydrophobicContact CE1-CG 4.47Å; F479-M483 HydrophobicContact CE2-CG 3.8Å; F479-M483 HydrophobicContact CZ-CG 4.01Å; F479-M483 WeakPolarHBondContact O-CB 3.41Å; F479-M483 WeakPolarHBondContact O-CG 3.46Å; F479-M483 PolarHBondContact O-N 2.97Å |
| 480 | H | 93.7 | Very high | 82.4 | Confident | 22 Ų | 22 | 81.7 Ų | 81.7 | 10% | 0.102 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65 | -45 | 174.4 | 172.6 | 49 | 0 | 0 | 0 | 112.6 | C467 F471 S476 M477 R478 T482 M483 G484 H485 | C467-H480 PolarHBondContact SG-NE2 3.22Å; F471-H480 HydrophobicContact CE1-CB 3.67Å; F471-H480 HydrophobicContact CE2-CB 4.11Å; F471-H480 AromaticContact CE2-CD2 3.56Å; F471-H480 HydrophobicContact CZ-CB 3.36Å; F471-H480 AromaticContact CZ-CD2 3.23Å; F471-H480 WeakPolarHBondContact CZ-CD2 3.06Å; F471-H480 AromaticContact CZ-CG 3.37Å; S476-H480 PolarHBondContact O-N 3.39Å; M477-H480 PolarHBondContact O-N 3.23Å; R478-H480 VanDerWaalsContact C-N 3.32Å; R478-H480 PolarHBondContact O-N 3.46Å; H480-T482 VanDerWaalsContact C-N 3.35Å; H480-T482 PolarHBondContact O-N 3.06Å; H480-M483 PolarHBondContact O-N 3.15Å; H480-G484 VanDerWaalsContact O-CA 3.28Å; H480-G484 WeakPolarHBondContact O-CA 3.39Å; H480-G484 PolarHBondContact O-N 2.93Å; H480-H485 AromaticContact CE1-NE2 3.53Å; H480-H485 AromaticContact NE2-CE1 3.95Å; H480-H485 AromaticContact NE2-NE2 3.17Å; H480-H485 PolarHBondContact NE2-NE2 3.22Å; H480-H485 VanDerWaalsContact NE2-NE2 3.17Å |
| 481 | F | 89 | Confident | 80.3 | Confident | 91 Ų | 91 | 82.7 Ų | 82.7 | 40% | 0.399 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | -179.7 | -176.3 | -102.7 | 0 | 0 | 0 | 111.7 | P463 F464 M477 R478 | P463-F481 HydrophobicContact CG-CD2 3.88Å; P463-F481 HydrophobicContact CG-CE2 3.84Å; F464-F481 HydrophobicContact CB-CD2 4.46Å; F464-F481 HydrophobicContact CB-CE2 4.33Å; M477-F481 WeakPolarHBondContact O-CB 3.47Å; M477-F481 PolarHBondContact O-N 2.82Å; R478-F481 PolarHBondContact O-N 3.3Å |
| 482 | T | 87.7 | Confident | 78.2 | Confident | 100 Ų | 100 | 87.4 Ų | 87.4 | 61% | 0.613 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -68.9 | -45.6 | 178 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | R478 H480 | R478-T482 PolarHBondContact O-N 3.28Å; R478-T482 PolarHBondContact O-OG1 3.28Å; H480-T482 VanDerWaalsContact C-N 3.35Å; H480-T482 PolarHBondContact O-N 3.06Å |
| 483 | M | 85 | Confident | 76.2 | Confident | 106 Ų | 106 | 91.3 Ų | 91.3 | 52% | 0.522 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -90.5 | -29.6 | -171.6 | -59.6 | -57.6 | -64.6 | 0 | 0 | 113.8 | F479 H480 H486 | F479-M483 HydrophobicContact CD2-CG 4.09Å; F479-M483 HydrophobicContact CE1-CG 4.47Å; F479-M483 HydrophobicContact CE2-CG 3.8Å; F479-M483 HydrophobicContact CZ-CG 4.01Å; F479-M483 WeakPolarHBondContact O-CB 3.41Å; F479-M483 WeakPolarHBondContact O-CG 3.46Å; F479-M483 PolarHBondContact O-N 2.97Å; H480-M483 PolarHBondContact O-N 3.15Å; M483-H486 PolarHBondContact O-ND1 2.83Å |
| 484 | G | 82.7 | Confident | 74.3 | Confident | 39 Ų | 39 | 94.5 Ų | 94.5 | 40% | 0.402 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -85.9 | -23.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | H480 | H480-G484 VanDerWaalsContact O-CA 3.28Å; H480-G484 WeakPolarHBondContact O-CA 3.39Å; H480-G484 PolarHBondContact O-N 2.93Å |
| 485 | H | 85 | Confident | 72.1 | Confident | 21 Ų | 21 | 96.9 Ų | 96.9 | 10% | 0.097 | 49% | 0.486 | C | S | . | . | S | Bend | trans | -108.5 | 5.2 | -173.1 | -66.4 | -60.2 | 0 | 0 | 0 | 115 | C462 F464 C467 H480 N487 S488 | C462-H485 PolarHBondContact SG-NE2 2.9Å; C462-H485 VanDerWaalsContact SG-NE2 3.35Å; F464-H485 WeakPolarHBondContact CB-NE2 3.4Å; F464-H485 AromaticContact CD1-CE1 3.52Å; F464-H485 AromaticContact CD1-CG 3.8Å; F464-H485 AromaticContact CD1-ND1 3.28Å; F464-H485 VanDerWaalsContact CD1-ND1 3.28Å; F464-H485 WeakPolarHBondContact CD1-ND1 3.4Å; F464-H485 HydrophobicContact CD2-CB 3.71Å; F464-H485 AromaticContact CD2-CG 3.59Å; F464-H485 AromaticContact CD2-ND1 3.95Å; F464-H485 AromaticContact CE1-ND1 3.73Å; F464-H485 HydrophobicContact CE2-CB 3.91Å; F464-H485 HydrophobicContact CG-CB 4.09Å; F464-H485 AromaticContact CG-CD2 3.69Å; F464-H485 AromaticContact CG-CE1 3.68Å; F464-H485 AromaticContact CG-CG 3.43Å; F464-H485 VanDerWaalsContact CG-CG 3.43Å; F464-H485 AromaticContact CG-ND1 3.43Å; F464-H485 WeakPolarHBondContact CG-ND1 3.41Å; F464-H485 AromaticContact CG-NE2 3.85Å; F464-H485 HydrophobicContact CZ-CB 4.44Å; C467-H485 VanDerWaalsContact CB-CE1 3.45Å; C467-H485 WeakPolarHBondContact CB-CE1 3.39Å; C467-H485 PolarHBondContact SG-CE1 3.45Å; C467-H485 PolarHBondContact SG-NE2 3.01Å; H480-H485 AromaticContact CE1-NE2 3.53Å; H480-H485 AromaticContact NE2-CE1 3.95Å; H480-H485 AromaticContact NE2-NE2 3.17Å; H480-H485 PolarHBondContact NE2-NE2 3.22Å; H480-H485 VanDerWaalsContact NE2-NE2 3.17Å; H485-N487 PolarHBondContact O-N 3.05Å; H485-S488 PolarHBondContact O-N 3.32Å |
| 486 | H | 66.3 | Low | 70.2 | Confident | 130 Ų | 130 | 98.8 Ų | 98.8 | 60% | 0.602 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -17.8 | -176.9 | 77 | -94.6 | 0 | 0 | 0 | 114.5 | M483 | M483-H486 PolarHBondContact O-ND1 2.83Š|
| 487 | N | 61.4 | Low | 68 | Low | 109 Ų | 109 | 106.5 Ų | 106.5 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107 | 1 | 176 | -88.4 | -19.5 | 0 | 0 | 0 | 114.6 | H485 T490 | H485-N487 PolarHBondContact O-N 3.05Å; N487-T490 PolarHBondContact O-OG1 2.91Å; N487-T490 VanDerWaalsContact O-OG1 3.05Å |
| 488 | S | 58.5 | Low | 65.8 | Low | 42 Ų | 42 | 112.9 Ų | 112.9 | 29% | 0.294 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -41 | -178.6 | -59 | 0 | 0 | 0 | 0 | 112.2 | H485 T490 M491 | H485-S488 PolarHBondContact O-N 3.32Å; S488-T490 PolarHBondContact O-N 3.21Å; S488-T490 VanDerWaalsContact O-N 3.12Å; S488-M491 PolarHBondContact O-N 3.05Å; S488-M491 VanDerWaalsContact O-N 3.12Å |
| 489 | Q | 53 | Low | 63.6 | Low | 138 Ų | 138 | 110.6 Ų | 110.6 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66 | -14.8 | -179 | -64 | -172.8 | 4.1 | 0 | 0 | 114.1 | F464 | F464-Q489 HydrophobicContact CE2-CG 4.32Å |
| 490 | T | 51.1 | Low | 61.3 | Low | 81 Ų | 81 | 110.7 Ų | 110.7 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -85.9 | -13 | 176.8 | 45.8 | 0 | 0 | 0 | 0 | 113.6 | N487 S488 | N487-T490 PolarHBondContact O-OG1 2.91Å; N487-T490 VanDerWaalsContact O-OG1 3.05Å; S488-T490 PolarHBondContact O-N 3.21Å; S488-T490 VanDerWaalsContact O-N 3.12Å |
| 491 | M | 49.1 | Very low | 58.8 | Low | 122 Ų | 122 | 116.1 Ų | 116.1 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -90 | -44 | 178 | -68 | -59.6 | -158.3 | 0 | 0 | 112.8 | S488 K493 K494 N495 | S488-M491 PolarHBondContact O-N 3.05Å; S488-M491 VanDerWaalsContact O-N 3.12Å; M491-K493 VanDerWaalsContact C-N 3.27Å; M491-K493 PolarHBondContact O-N 3.27Å; M491-K494 WeakPolarHBondContact O-CB 3.46Å; M491-K494 PolarHBondContact O-N 3.18Å; M491-N495 PolarHBondContact O-N 3.05Å; M491-N495 VanDerWaalsContact O-N 3.16Å |
| 492 | E | 50.5 | Low | 56.5 | Low | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.6 | -36.4 | 178.1 | -66.5 | -176.2 | 131.4 | 0 | 0 | 112.1 | K494 N495 M496 | E492-K494 PolarHBondContact O-N 2.74Å; E492-N495 PolarHBondContact O-N 3.32Å; E492-M496 PolarHBondContact O-N 3.5Å; E492-M496 VanDerWaalsContact O-N 3.12Å |
| 493 | K | 49.4 | Very low | 54.4 | Low | 155 Ų | 155 | 120.5 Ų | 120.5 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.3 | -6 | 173.2 | -77.2 | -174.4 | 175.4 | 178.2 | 0 | 114.9 | M491 | M491-K493 VanDerWaalsContact C-N 3.27Å; M491-K493 PolarHBondContact O-N 3.27Å |
| 494 | K | 48 | Very low | 52.3 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 60% | 0.596 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -88.6 | -53.5 | 165.7 | -78.7 | -175.2 | 170.6 | -170.2 | 0 | 110.7 | M491 E492 M496 R497 E498 | M491-K494 WeakPolarHBondContact O-CB 3.46Å; M491-K494 PolarHBondContact O-N 3.18Å; E492-K494 PolarHBondContact O-N 2.74Å; K494-M496 VanDerWaalsContact C-N 3.33Å; K494-M496 PolarHBondContact O-N 3.15Å; K494-R497 WeakPolarHBondContact O-CA 3.34Å; K494-R497 WeakPolarHBondContact O-CB 3.4Å; K494-R497 PolarHBondContact O-N 2.91Å; K494-E498 PolarHBondContact O-N 3.02Å |
| 495 | N | 47.1 | Very low | 50.3 | Low | 117 Ų | 117 | 126.1 Ų | 126.1 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -59.4 | -39.5 | -178 | -71.9 | 15.9 | 0 | 0 | 0 | 113.1 | M491 E492 R497 E498 | M491-N495 PolarHBondContact O-N 3.05Å; M491-N495 VanDerWaalsContact O-N 3.16Å; E492-N495 PolarHBondContact O-N 3.32Å; N495-R497 PolarHBondContact O-N 2.86Å; N495-E498 PolarHBondContact O-N 3.08Å |
| 496 | M | 49.9 | Very low | 48.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 78% | 0.778 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.4 | 174.1 | -85.5 | -165.2 | 171.9 | 0 | 0 | 114.8 | E492 K494 | E492-M496 PolarHBondContact O-N 3.5Å; E492-M496 VanDerWaalsContact O-N 3.12Å; K494-M496 VanDerWaalsContact C-N 3.33Å; K494-M496 PolarHBondContact O-N 3.15Å |
| 497 | R | 46.2 | Very low | 46.8 | Very low | 221 Ų | 221 | 133.6 Ų | 133.6 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | -0.5 | 177.4 | -147.7 | 176 | -171.3 | -175.7 | 1.2 | 113.1 | K494 N495 | K494-R497 WeakPolarHBondContact O-CA 3.34Å; K494-R497 WeakPolarHBondContact O-CB 3.4Å; K494-R497 PolarHBondContact O-N 2.91Å; N495-R497 PolarHBondContact O-N 2.86Å |
| 498 | E | 47.4 | Very low | 45.5 | Very low | 165 Ų | 165 | 134.6 Ų | 134.6 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -117.3 | 3.1 | -174.1 | -151.9 | 152.1 | -151.9 | 0 | 0 | 111.7 | K494 N495 | K494-E498 PolarHBondContact O-N 3.02Å; N495-E498 PolarHBondContact O-N 3.08Å |
| 499 | S | 43 | Very low | 44.3 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 66% | 0.657 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -118.5 | 17.4 | 177.1 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 500 | L | 43 | Very low | 43.3 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -106 | 112.2 | 174.9 | -101.1 | 161.3 | 0 | 0 | 0 | 108.8 | | |
| 501 | V | 42.1 | Very low | 42.7 | Very low | 135 Ų | 135 | 149 Ų | 149 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 135.6 | 179.6 | 177.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 502 | E | 39.4 | Very low | 41.9 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 130.8 | 178.5 | -68.5 | -169.4 | 123.9 | 0 | 0 | 111.7 | | |
| 503 | P | 43.7 | Very low | 41.5 | Very low | 110 Ų | 110 | 151.7 Ų | 151.7 | 71% | 0.714 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 125.7 | 155.1 | 30.7 | -30 | 0 | 0 | 0 | 108.1 | V505 | P503-V505 PolarHBondContact O-N 2.97Å; P503-V505 VanDerWaalsContact O-N 3.12Å |
| 504 | V | 40.8 | Very low | 41 | Very low | 133 Ų | 133 | 152.6 Ų | 152.6 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 116.5 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 505 | V | 41.9 | Very low | 40.7 | Very low | 131 Ų | 131 | 152.6 Ų | 152.6 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -101.6 | 108.6 | 171.1 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | P503 | P503-V505 PolarHBondContact O-N 2.97Å; P503-V505 VanDerWaalsContact O-N 3.12Å |
| 506 | D | 39.9 | Very low | 40.4 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -65.7 | 152.2 | -178.7 | -107.6 | -46.4 | 0 | 0 | 0 | 113.3 | V508 | D506-V508 PolarHBondContact O-N 3.26Š|
| 507 | Q | 37 | Very low | 40 | Very low | 169 Ų | 169 | 154 Ų | 154 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -75.6 | 91.1 | -167.3 | -62.9 | -179.3 | 17.7 | 0 | 0 | 113.4 | R509 | Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.26Å |
| 508 | V | 35 | Very low | 39.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | -72.6 | 88.6 | 163.6 | -175.8 | 0 | 0 | 0 | 0 | 109.5 | D506 W510 | D506-V508 PolarHBondContact O-N 3.26Å; V508-W510 PolarHBondContact O-N 3.22Å |
| 509 | R | 32.1 | Very low | 39.6 | Very low | 187 Ų | 187 | 148 Ų | 148 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | -69 | 117.1 | 176.6 | -179.2 | -174.1 | -67.9 | -151.3 | -1.3 | 110.5 | Q507 I511 | Q507-R509 VanDerWaalsContact C-N 3.31Å; Q507-R509 PolarHBondContact O-N 3.26Å; R509-I511 HydrophobicContact CG-CG1 3.96Å; R509-I511 PolarHBondContact O-N 2.83Å |
| 510 | W | 33.1 | Very low | 39.5 | Very low | 251 Ų | 251 | 150.2 Ų | 150.2 | 95% | 0.951 | 77% | 0.766 | S | S | * | * | | | trans | -68.2 | 96.3 | 169.5 | -68.9 | 86.2 | 0 | 0 | 0 | 110.8 | V508 | V508-W510 PolarHBondContact O-N 3.22Š|
| 511 | I | 38.7 | Very low | 39.1 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 64% | 0.641 | 77% | 0.766 | S | S | * | * | | | trans | -94.5 | 121.1 | 166.2 | -60.4 | -178.6 | 0 | 0 | 0 | 107.7 | R509 | R509-I511 HydrophobicContact CG-CG1 3.96Å; R509-I511 PolarHBondContact O-N 2.83Å |
| 512 | K | 31.5 | Very low | 38.6 | Very low | 204 Ų | 204 | 151.8 Ų | 151.8 | 89% | 0.887 | 77% | 0.765 | S | S | * | * | | | trans | -79.2 | 124.4 | 159 | -72.7 | -173.9 | 174.7 | -169.7 | 0 | 108.1 | | |
| 513 | S | 42.1 | Very low | 38.4 | Very low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -144.2 | 140.2 | 157.8 | -63.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 514 | E | 38.3 | Very low | 37.8 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | -98.6 | 168.9 | -179.6 | -69.7 | 158.6 | 152.4 | 0 | 0 | 108.8 | | |
| 515 | D | 42.2 | Very low | 37.6 | Very low | 138 Ų | 138 | 150.4 Ų | 150.4 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | 76.8 | 153 | 166 | -47 | -34.4 | 0 | 0 | 0 | 121.1 | | |
| 516 | F | 41.8 | Very low | 37.4 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | | | trans | 74.2 | 79.4 | 164.3 | -56.2 | -64 | 0 | 0 | 0 | 121.6 | | |
| 517 | D | 40.9 | Very low | 37.1 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 67% | 0.674 | 76% | 0.763 | S | S | * | * | | | | 57.8 | 109.5 | 112 | -67.4 | -37.1 | 0 | 0 | 0 | 122.8 | | |
| 518 | N | 42.7 | Very low | 37.1 | Very low | 128 Ų | 128 | 150 Ų | 150 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | | | | 70.6 | 132.4 | 122.7 | -64.9 | -44.5 | 0 | 0 | 0 | 123.2 | | |
| 519 | N | 42 | Very low | 37.1 | Very low | 132 Ų | 132 | 148.4 Ų | 148.4 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | | | trans | 67.1 | 96.4 | 145.3 | -59.3 | -14.8 | 0 | 0 | 0 | 119.5 | | |
| 520 | N | 40.4 | Very low | 37.4 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | | 170.8 | 144.2 | 88.6 | -89.8 | -38.2 | 0 | 0 | 0 | 114.3 | | |
| 521 | L | 36.2 | Very low | 37.6 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | 61 | 149.6 | 162.2 | -85.4 | 75.7 | 0 | 0 | 0 | 117.5 | | |
| 522 | E | 31.7 | Very low | 37.4 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | cis | -163 | -159.7 | -24.2 | -146.6 | -173.7 | 158.1 | 0 | 0 | 108.5 | | |
| 523 | I | 34.3 | Very low | 37.8 | Very low | 152 Ų | 152 | 135 Ų | 135 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | | | trans | 85 | 82.1 | 166.2 | -46.3 | 173.1 | 0 | 0 | 0 | 116.8 | | |
| 524 | S | 32.2 | Very low | 38.4 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | | 42.9 | 103.3 | 125.7 | -172 | 0 | 0 | 0 | 0 | 119.9 | | |
| 525 | V | 35.4 | Very low | 38.6 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 83% | 0.83 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 135.9 | 146.6 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 526 | C | 38.4 | Very low | 39.1 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -97 | 124.9 | 176.4 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 527 | D | 32.9 | Very low | 39.6 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 141.1 | 177.2 | -69.1 | -62.3 | 0 | 0 | 0 | 113.2 | | |
| 528 | I | 38 | Very low | 39.6 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | trans | -127.1 | 105.1 | 146 | -61.1 | -178 | 0 | 0 | 0 | 107 | | |
| 529 | S | 33.6 | Very low | 39.4 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -89.7 | 137.5 | 179.6 | 51.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 530 | A | 39.1 | Very low | 39.2 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -139.3 | 102.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 531 | N | 37.4 | Very low | 38.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 143.9 | -166.2 | -72.8 | -15.1 | 0 | 0 | 0 | 113.2 | | |
| 532 | S | 34.7 | Very low | 38.9 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.7 | 174.5 | 49.8 | 0 | 0 | 0 | 0 | 112 | | |
| 533 | S | 40.2 | Very low | 38.8 | Very low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 122.6 | 169.5 | -67.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 534 | P | 53.2 | Low | 39.2 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 153.8 | 175.5 | 31.4 | -34.8 | 0 | 0 | 0 | 111.6 | | |
| 535 | P | 43 | Very low | 39.3 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 147 | 177.6 | 28.2 | -35.1 | 0 | 0 | 0 | 111.7 | K537 | P535-K537 PolarHBondContact O-N 3.28Š|
| 536 | P | 53.6 | Low | 39.5 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 126.1 | -177.4 | 25.6 | -34.1 | 0 | 0 | 0 | 111.4 | L538 | P536-L538 PolarHBondContact O-N 3.06Š|
| 537 | K | 52.7 | Low | 39.3 | Very low | 205 Ų | 205 | 143.4 Ų | 143.4 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 120.2 | 176.3 | -68.1 | 177.5 | -178.7 | 173.2 | 0 | 109.6 | P535 A539 | P535-K537 PolarHBondContact O-N 3.28Å; K537-A539 PolarHBondContact O-N 2.96Å |
| 538 | L | 40.1 | Very low | 39.5 | Very low | 172 Ų | 172 | 141.1 Ų | 141.1 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -58.9 | 110.1 | 172.1 | -74.5 | 165.8 | 0 | 0 | 0 | 110.2 | P536 R540 | P536-L538 PolarHBondContact O-N 3.06Å; L538-R540 PolarHBondContact O-N 3.28Å |
| 539 | A | 38.1 | Very low | 39.5 | Very low | 104 Ų | 104 | 137.3 Ų | 137.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 119.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | K537 | K537-A539 PolarHBondContact O-N 2.96Š|
| 540 | R | 38.2 | Very low | 39.7 | Very low | 225 Ų | 225 | 139.6 Ų | 139.6 | 85% | 0.849 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 133.4 | 179 | -171.4 | 177.6 | -177.5 | 120.3 | -4.1 | 109.1 | L538 H542 | L538-R540 PolarHBondContact O-N 3.28Å; R540-H542 PolarHBondContact O-N 2.86Å |
| 541 | A | 29.8 | Very low | 39.7 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 542 | H | 39.9 | Very low | 39.8 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -108 | 119.2 | 163.5 | -83.6 | -100.6 | 0 | 0 | 0 | 108.5 | R540 | R540-H542 PolarHBondContact O-N 2.86Š|
| 543 | C | 31.1 | Very low | 40 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | | | trans | -91.2 | 107 | 172.9 | -57.9 | 0 | 0 | 0 | 0 | 108.7 | | |
| 544 | T | 42.2 | Very low | 39.9 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | trans | -115.7 | 135.6 | 164.4 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 545 | K | 34.4 | Very low | 39 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | | | trans | -103.9 | 179.6 | -175.2 | -169.1 | 175.6 | 170.9 | -175.8 | 0 | 109 | | |
| 546 | D | 38.7 | Very low | 38.8 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 59% | 0.588 | 79% | 0.791 | S | S | * | * | | | trans | 82.5 | 114.1 | 173.6 | -53.7 | -50 | 0 | 0 | 0 | 112.2 | | |
| 547 | R | 34.2 | Very low | 38 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | | 72 | 133.1 | 84.7 | -71.8 | 167.5 | 163.9 | 177.8 | -9.1 | 111.5 | | |
| 548 | S | 37.1 | Very low | 37.3 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -171.6 | 163.8 | 0 | 40.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 549 | S | 37.9 | Very low | 37.2 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | | | trans | 73.1 | 132.1 | 162.7 | -69.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 550 | D | 37.4 | Very low | 37.3 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | | 71.9 | 133.3 | 72.3 | -45 | -45 | 0 | 0 | 0 | 111.6 | | |
| 551 | S | 39.5 | Very low | 37.4 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | cis | -166 | -164.8 | -6.9 | 55.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 552 | N | 40.7 | Very low | 38.2 | Very low | 140 Ų | 140 | 136.9 Ų | 136.9 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | | | trans | 79 | 117.1 | 169.7 | -39.6 | -21.5 | 0 | 0 | 0 | 113.9 | | |
| 553 | E | 37.3 | Very low | 38.4 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | | | cis | 82.1 | 106.6 | 33.7 | -58.1 | -169.2 | -159.7 | 0 | 0 | 116.3 | | |
| 554 | T | 38.5 | Very low | 39.4 | Very low | 147 Ų | 147 | 137.6 Ų | 137.6 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | | | trans | 174.9 | 145.4 | 145 | 19.1 | 0 | 0 | 0 | 0 | 107 | | |
| 555 | S | 35.4 | Very low | 39.5 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | cis | 152.7 | 161.8 | -20.3 | -178.9 | 0 | 0 | 0 | 0 | 105.8 | | |
| 556 | L | 38.4 | Very low | 40.5 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | trans | 72.5 | 106.5 | -177.3 | -44.5 | -179.8 | 0 | 0 | 0 | 113.8 | | |
| 557 | V | 35.9 | Very low | 40.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | 88.2 | 127.7 | 30.1 | -174.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 558 | L | 38.8 | Very low | 41.6 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | | | trans | 157.1 | 97.9 | 145.4 | -82.7 | 170.7 | 0 | 0 | 0 | 107.8 | | |
| 559 | T | 38.4 | Very low | 42.4 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 60% | 0.601 | 76% | 0.756 | S | S | * | * | | | | 62.9 | 131.8 | 83.8 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 560 | N | 40.1 | Very low | 42.9 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | cis | -140.7 | 177.8 | 15.1 | -49.5 | -85.6 | 0 | 0 | 0 | 108.9 | | |
| 561 | G | 40.9 | Very low | 43.4 | Very low | 67 Ų | 67 | 132.8 Ų | 132.8 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | | | cis | 170 | -173.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 562 | D | 46.2 | Very low | 43.3 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | | | trans | 74.9 | 97.1 | 168.2 | -58 | -5.3 | 0 | 0 | 0 | 118.5 | | |
| 563 | D | 44 | Very low | 43.3 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -68.6 | 160.9 | -178.1 | -46.1 | -104.3 | 0 | 0 | 0 | 116.1 | | |
| 564 | I | 52.5 | Low | 43.5 | Very low | 171 Ų | 171 | 136 Ų | 136 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | | -166.9 | 119.8 | 120.2 | -95.2 | 152.2 | 0 | 0 | 0 | 108.1 | | |
| 565 | D | 44.1 | Very low | 43.4 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | trans | -97.8 | 143.6 | -178.6 | -106.2 | -44.8 | 0 | 0 | 0 | 111.8 | | |
| 566 | D | 53.8 | Low | 43.2 | Very low | 153 Ų | 153 | 140.7 Ų | 140.7 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | -137.7 | 63.3 | 166 | -127.6 | -25.5 | 0 | 0 | 0 | 109.7 | I568 | D566-I568 PolarHBondContact O-N 3.08Š|
| 567 | N | 43.3 | Very low | 43.1 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | -88.3 | 98.9 | -174.7 | -180 | 23.1 | 0 | 0 | 0 | 112.1 | | |
| 568 | I | 53.7 | Low | 42.9 | Very low | 150 Ų | 150 | 138.5 Ų | 138.5 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -99.5 | 93.5 | 175.9 | -61.9 | 179.6 | 0 | 0 | 0 | 110.5 | D566 | D566-I568 PolarHBondContact O-N 3.08Š|
| 569 | D | 53 | Low | 42.7 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 54% | 0.54 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -67.9 | 132.5 | 174 | -152.1 | 18.6 | 0 | 0 | 0 | 110.2 | K572 | D569-K572 IonicContact OD1-NZ 3.94Å; D569-K572 IonicContact OD2-NZ 2.87Å; D569-K572 PolarHBondContact OD2-NZ 3.11Å |
| 570 | P | 48.5 | Very low | 42.7 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 137.9 | 177.2 | 27.5 | -34.2 | 0 | 0 | 0 | 111.3 | K572 | P570-K572 PolarHBondContact O-N 2.94Š|
| 571 | P | 48.2 | Very low | 42.3 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 118.5 | -168.8 | 25.4 | -34.4 | 0 | 0 | 0 | 113.1 | L573 | P571-L573 PolarHBondContact O-N 3.41Š|
| 572 | K | 38.4 | Very low | 42.2 | Very low | 158 Ų | 158 | 141.3 Ų | 141.3 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | -72.2 | 91.9 | 173.9 | -67.2 | 161.3 | -176.8 | 121.5 | 0 | 110.1 | D569 P570 H574 | D569-K572 IonicContact OD1-NZ 3.94Å; D569-K572 IonicContact OD2-NZ 2.87Å; D569-K572 PolarHBondContact OD2-NZ 3.11Å; P570-K572 PolarHBondContact O-N 2.94Å; K572-H574 PolarHBondContact O-N 3.38Å |
| 573 | L | 40.5 | Very low | 41.6 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -62.1 | 118.8 | 175.4 | -80.9 | 175.5 | 0 | 0 | 0 | 111.2 | P571 | P571-L573 PolarHBondContact O-N 3.41Š|
| 574 | H | 40.5 | Very low | 41.4 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | | | trans | -87.8 | 137.9 | -174.3 | -123.4 | -146.2 | 0 | 0 | 0 | 111.7 | K572 | K572-H574 PolarHBondContact O-N 3.38Š|
| 575 | R | 36.8 | Very low | 40.5 | Very low | 203 Ų | 203 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | trans | 43.7 | 110.9 | 154.6 | -65.8 | -174.7 | 173.9 | 126.5 | 4.8 | 118.6 | V577 | R575-V577 PolarHBondContact O-N 3.23Š|
| 576 | V | 30.6 | Very low | 40.3 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | -32.4 | 124 | 149.6 | 179 | 0 | 0 | 0 | 0 | 112.4 | | |
| 577 | V | 36.4 | Very low | 39.5 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -130.9 | 125.7 | 156.6 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | R575 | R575-V577 PolarHBondContact O-N 3.23Š|
| 578 | S | 32.4 | Very low | 39.3 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73 | 130.9 | 177.7 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 579 | I | 34.2 | Very low | 38.4 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 121.7 | 166.2 | -57.8 | 177.4 | 0 | 0 | 0 | 107.1 | | |
| 580 | S | 38.9 | Very low | 37.8 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -96 | 136 | 170.7 | -60.6 | 0 | 0 | 0 | 0 | 109.3 | S582 | S580-S582 PolarHBondContact O-N 3.34Š|
| 581 | D | 31.1 | Very low | 37.4 | Very low | 157 Ų | 157 | 144.3 Ų | 144.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.3 | 172.2 | -63 | -65.5 | 0 | 0 | 0 | 111.1 | | |
| 582 | S | 38.9 | Very low | 36.9 | Very low | 113 Ų | 113 | 145 Ų | 145 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -158.8 | 124.7 | 165.2 | -78 | 0 | 0 | 0 | 0 | 110.6 | S580 | S580-S582 PolarHBondContact O-N 3.34Š|
| 583 | F | 34.3 | Very low | 36.9 | Very low | 212 Ų | 212 | 141.1 Ų | 141.1 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | trans | -86.5 | 126.2 | 175.3 | -67.7 | -106.4 | 0 | 0 | 0 | 110.4 | | |
| 584 | S | 38.8 | Very low | 36.7 | Very low | 123 Ų | 123 | 140.2 Ų | 140.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | -162.2 | 156.2 | 153.3 | 52.8 | 0 | 0 | 0 | 0 | 112 | | |
| 585 | N | 34.5 | Very low | 36.7 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -84.4 | 152.1 | -168.9 | -91.9 | -29.2 | 0 | 0 | 0 | 114.7 | | |
| 586 | A | 39.1 | Very low | 36.6 | Very low | 81 Ų | 81 | 135.2 Ų | 135.2 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | 62.2 | 120.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 587 | N | 37.7 | Very low | 36.8 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | | | trans | 62.7 | 113.4 | 132 | -65.5 | -14 | 0 | 0 | 0 | 121.4 | | |
| 588 | Q | 38.9 | Very low | 37 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | | | trans | 65.1 | 148.3 | 130.8 | -63.7 | -178.4 | 70.6 | 0 | 0 | 118.7 | | |
| 589 | L | 34.5 | Very low | 37.1 | Very low | 145 Ų | 145 | 135.2 Ų | 135.2 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | cis | -173.4 | 162.7 | -20.4 | -172.7 | 71.3 | 0 | 0 | 0 | 105.1 | | |
| 590 | I | 41 | Very low | 37.2 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | 81.2 | 117.7 | 167 | -45.7 | -176.6 | 0 | 0 | 0 | 117.1 | | |
| 591 | D | 40.5 | Very low | 37.2 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 11.1 | 137.3 | 158.1 | -55.5 | -46.1 | 0 | 0 | 0 | 124 | | |
| 592 | P | 37.8 | Very low | 37.5 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -90.6 | 141.9 | 158.9 | 36.1 | -30.3 | 0 | 0 | 0 | 112.5 | | |
| 593 | G | 37.6 | Very low | 37.4 | Very low | 76 Ų | 76 | 135 Ų | 135 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | -141 | 93.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 594 | D | 36.7 | Very low | 37.6 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | | | trans | 38.7 | 112.4 | 150.4 | -71.1 | -21.6 | 0 | 0 | 0 | 122.6 | | |
| 595 | S | 38.9 | Very low | 37.5 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | | 108.7 | 142.6 | 115.8 | 80.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 596 | N | 36.4 | Very low | 37.4 | Very low | 148 Ų | 148 | 131.2 Ų | 131.2 | 79% | 0.791 | 73% | 0.731 | S | S | * | * | | | trans | 66.7 | 160.9 | 154.9 | -58.7 | -47 | 0 | 0 | 0 | 118.9 | | |
| 597 | S | 33.8 | Very low | 37.5 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 74% | 0.737 | S | S | * | * | | | cis | -166 | 166.5 | -44 | 62.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 598 | S | 40.5 | Very low | 37.6 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | 60.3 | 138 | -175.4 | 69 | 0 | 0 | 0 | 0 | 115.4 | | |
| 599 | K | 35.2 | Very low | 37.5 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 70% | 0.704 | 74% | 0.738 | S | S | * | * | | | cis | 81.7 | 96.3 | 29.7 | -170.1 | -165.2 | 177.3 | -176.6 | 0 | 113.9 | | |
| 600 | F | 36.6 | Very low | 38.2 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 72% | 0.715 | 74% | 0.743 | S | S | * | * | | | | -173.2 | 134.9 | 116.4 | -107.3 | -73.3 | 0 | 0 | 0 | 113.6 | | |
| 601 | D | 39.4 | Very low | 38.3 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | | | trans | -18.8 | 141.4 | 163.8 | -33.1 | -30.2 | 0 | 0 | 0 | 117.4 | | |
| 602 | N | 36.9 | Very low | 38.6 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | | | | -178.9 | 137.3 | 71.7 | -97.2 | -54.9 | 0 | 0 | 0 | 115.9 | | |
| 603 | I | 36.4 | Very low | 39.4 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | | | | 69.6 | 133 | 129.6 | -65.8 | 171.2 | 0 | 0 | 0 | 122.4 | | |
| 604 | H | 38.2 | Very low | 40.6 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | 65.4 | 145.4 | 166.7 | -71.6 | -51.2 | 0 | 0 | 0 | 117.8 | | |
| 605 | H | 36.7 | Very low | 41.2 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | cis | -141.7 | 144.1 | 6.2 | -130.9 | -69.6 | 0 | 0 | 0 | 113.2 | | |
| 606 | T | 32.8 | Very low | 41.3 | Very low | 110 Ų | 110 | 133 Ų | 133 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | | | trans | -11.2 | 132.8 | 162.7 | 53.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 607 | T | 41.4 | Very low | 41.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | | -159.7 | 122.5 | 124.5 | 25.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 608 | D | 39.6 | Very low | 42.2 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 18.5 | 150.6 | 131.6 | -56.6 | -45.5 | 0 | 0 | 0 | 121.4 | | |
| 609 | V | 37.6 | Very low | 42.2 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 74% | 0.742 | S | S | * | * | | | cis | 179.1 | 117.1 | -23.6 | 130.7 | 0 | 0 | 0 | 0 | 103.6 | | |
| 610 | L | 49 | Very low | 42.5 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | trans | -176.1 | 145.9 | 168.1 | -126.2 | 72.4 | 0 | 0 | 0 | 106.3 | | |
| 611 | D | 43.2 | Very low | 42.9 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | | | cis | -144.2 | 156.3 | -2.9 | -155.9 | -11.4 | 0 | 0 | 0 | 109.2 | | |
| 612 | E | 46.2 | Very low | 42.9 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 72% | 0.724 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 130.9 | -171.5 | -169 | -178 | 131 | 0 | 0 | 113 | P614 | E612-P614 WeakPolarHBondContact O-CD 3.4Š|
| 613 | P | 53.3 | Low | 43.3 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 119.8 | 178.4 | 29.9 | -33.5 | 0 | 0 | 0 | 111.9 | T615 | P613-T615 PolarHBondContact O-N 3.11Š|
| 614 | P | 63.4 | Low | 43.5 | Very low | 128 Ų | 128 | 132.8 Ų | 132.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 123.8 | -176.7 | 23.9 | -32.9 | 0 | 0 | 0 | 112.6 | E612 | E612-P614 WeakPolarHBondContact O-CD 3.4Š|
| 615 | T | 49 | Very low | 44.2 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 153 | -177.3 | 36.5 | 0 | 0 | 0 | 0 | 114.8 | P613 | P613-T615 PolarHBondContact O-N 3.11Š|
| 616 | A | 42.4 | Very low | 44.5 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -104.8 | 135.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 617 | S | 41.2 | Very low | 45 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | 71.6 | 153.3 | 170.8 | -43.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 618 | P | 47.3 | Very low | 45.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | | -124.2 | 146.8 | 75.8 | 37.1 | -31.1 | 0 | 0 | 0 | 114.2 | | |
| 619 | A | 39.6 | Very low | 44.8 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | -88.1 | 137 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 620 | Y | 43.3 | Very low | 44.7 | Very low | 212 Ų | 212 | 128.9 Ų | 128.9 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -136.7 | 149.7 | 169 | -99.8 | -109.2 | 0 | 0 | 0 | 107.8 | | |
| 621 | S | 44.2 | Very low | 43.9 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 57% | 0.573 | 77% | 0.768 | S | S | * | * | | | cis | -161.6 | 128.4 | -27.7 | -98.5 | 0 | 0 | 0 | 0 | 106.1 | I623 | S621-I623 PolarHBondContact O-N 2.99Š|
| 622 | D | 39.5 | Very low | 43.5 | Very low | 167 Ų | 167 | 125 Ų | 125 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -70.6 | 118.8 | 177.1 | -118.5 | -33 | 0 | 0 | 0 | 109.3 | | |
| 623 | I | 44.2 | Very low | 43 | Very low | 149 Ų | 149 | 124 Ų | 124 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -122.1 | 91.4 | 170.2 | -67.4 | 175.5 | 0 | 0 | 0 | 107.8 | S621 | S621-I623 PolarHBondContact O-N 2.99Š|
| 624 | S | 40.8 | Very low | 41.9 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -96.4 | 112.3 | 156.3 | 56.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 625 | D | 54.2 | Low | 40.5 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -110.4 | 120.9 | 175.8 | -168.2 | 13 | 0 | 0 | 0 | 109.6 | G627 | D625-G627 PolarHBondContact O-N 3.01Š|
| 626 | D | 41.8 | Very low | 39.6 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -104.3 | 68.4 | -167.6 | -144.8 | -12.5 | 0 | 0 | 0 | 109.6 | T628 | D626-T628 PolarHBondContact O-N 3.16Å; D626-T628 VanDerWaalsContact O-N 3.14Å |
| 627 | G | 44.7 | Very low | 39.4 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -74.6 | 95.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114 | D625 | D625-G627 PolarHBondContact O-N 3.01Š|
| 628 | T | 42.7 | Very low | 39.1 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 71% | 0.712 | 78% | 0.777 | S | S | * | * | | | trans | -79.3 | 137.2 | -174.2 | 56.4 | 0 | 0 | 0 | 0 | 115.5 | D626 | D626-T628 PolarHBondContact O-N 3.16Å; D626-T628 VanDerWaalsContact O-N 3.14Å |
| 629 | V | 33.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | 42.3 | 123.5 | 154.9 | -58.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 630 | S | 34.7 | Very low | 38.1 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | | -166.5 | 114.9 | 117.4 | -82.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 631 | S | 32.4 | Very low | 37.6 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | trans | 9.9 | 144.1 | 145.3 | 54.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 632 | T | 35.2 | Very low | 37.1 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | 61.9 | 128.8 | 150.6 | 53.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 633 | T | 35.6 | Very low | 36.9 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | cis | -148 | 178.3 | 35.9 | 46.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 634 | N | 30.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | trans | -63.1 | 148.5 | 171.8 | -54.9 | -40.2 | 0 | 0 | 0 | 112.9 | | |
| 635 | N | 33 | Very low | 36.1 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | | -178.9 | 132.6 | 116.3 | -88.6 | -23.8 | 0 | 0 | 0 | 112.1 | | |
| 636 | F | 29.9 | Very low | 35.1 | Very low | 194 Ų | 194 | 130.4 Ų | 130.4 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -93.3 | 142.4 | 172 | -74 | -95.4 | 0 | 0 | 0 | 111 | V638 | F636-V638 HydrophobicContact CB-CG2 4.38Š|
| 637 | P | 38.1 | Very low | 34.5 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -89.2 | 118.8 | 155.5 | 32.5 | -27.1 | 0 | 0 | 0 | 110.3 | | |
| 638 | V | 35.3 | Very low | 33.8 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | -120.7 | 128.2 | 170.5 | 174.9 | 0 | 0 | 0 | 0 | 109.3 | F636 | F636-V638 HydrophobicContact CB-CG2 4.38Š|
| 639 | L | 34.1 | Very low | 33.4 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | | | trans | -132.1 | 106.6 | 162.8 | -67.2 | 174.4 | 0 | 0 | 0 | 106.1 | | |
| 640 | N | 32.5 | Very low | 33.3 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | cis | 96.1 | 163.3 | 40.1 | -165.5 | 26.5 | 0 | 0 | 0 | 112.2 | | |
| 641 | I | 33.4 | Very low | 33.2 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | 85.9 | 108.3 | -153.5 | -54 | 158.6 | 0 | 0 | 0 | 109.4 | | |
| 642 | G | 33.8 | Very low | 33.3 | Very low | 62 Ų | 62 | 138.1 Ų | 138.1 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | | | cis | 126.6 | 147.9 | 8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 643 | M | 34 | Very low | 33.3 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 95% | 0.946 | 76% | 0.764 | S | S | * | * | | | cis | -163.8 | 167.9 | 1.3 | -71.7 | -170.1 | -66 | 0 | 0 | 107.7 | | |
| 644 | A | 33.9 | Very low | 33 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | cis | -172.7 | 174.1 | -26 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 645 | A | 34.3 | Very low | 33.2 | Very low | 86 Ų | 86 | 138.3 Ų | 138.3 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | | | trans | 69.7 | 147 | 167.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 646 | I | 32.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | | | cis | 92.9 | 122.5 | 18.7 | -61.8 | 168.8 | 0 | 0 | 0 | 113.3 | | |
| 647 | D | 30.9 | Very low | 33.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | cis | -168.8 | 153.9 | -5 | -121 | 4.3 | 0 | 0 | 0 | 117.3 | | |
| 648 | V | 29.9 | Very low | 33.2 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | | | trans | 73.1 | 153.5 | 132 | 162.7 | 0 | 0 | 0 | 0 | 124.9 | | |
| 649 | Q | 34.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 133 Ų | 133 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | 79.5 | 115.5 | 165.3 | -88.6 | 161.9 | 61.1 | 0 | 0 | 118.5 | | |
| 650 | N | 30.8 | Very low | 33.2 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | | 83.6 | 144.7 | 91.6 | -86.3 | -1.5 | 0 | 0 | 0 | 114.3 | | |
| 651 | S | 33.6 | Very low | 33.2 | Very low | 86 Ų | 86 | 130 Ų | 130 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | | | cis | -175.5 | 152.9 | -8.2 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 652 | R | 34.2 | Very low | 33.2 | Very low | 209 Ų | 209 | 129.4 Ų | 129.4 | 79% | 0.789 | 74% | 0.741 | S | S | * | * | | | trans | 67.2 | 159.5 | 159.5 | -65 | 175.2 | 133.5 | 135.1 | -0.5 | 117.1 | | |
| 653 | E | 34.4 | Very low | 33.2 | Very low | 138 Ų | 138 | 130.5 Ų | 130.5 | 65% | 0.645 | 74% | 0.74 | S | S | * | * | | | cis | -158.8 | 132 | -16.5 | -110.3 | 161.6 | -172.2 | 0 | 0 | 111.5 | | |
| 654 | T | 30.2 | Very low | 33 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | trans | 64.2 | 155 | 134.6 | -34 | 0 | 0 | 0 | 0 | 124.1 | | |
| 655 | I | 33.6 | Very low | 32.9 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | | | trans | 107.6 | 89.7 | 154.4 | -52.1 | -176.4 | 0 | 0 | 0 | 119.7 | | |
| 656 | L | 33.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | | | | 57.6 | 146.5 | 127 | -59.5 | 178.9 | 0 | 0 | 0 | 125.8 | | |
| 657 | N | 33.3 | Very low | 32.9 | Very low | 142 Ų | 142 | 131 Ų | 131 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | 74.7 | 149.4 | 149.8 | -66 | -9.3 | 0 | 0 | 0 | 120.7 | | |
| 658 | S | 34 | Very low | 32.9 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -173.1 | 142.8 | -23.3 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 659 | S | 34.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | | | trans | 73.2 | 147.3 | 144.7 | -58.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 660 | S | 35.8 | Very low | 33.3 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | 81.8 | 151.7 | 144.9 | 72 | 0 | 0 | 0 | 0 | 121.3 | | |
| 661 | V | 32.1 | Very low | 33.3 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | cis | -171.5 | 168.4 | -39.3 | 110.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 662 | L | 33.2 | Very low | 33.4 | Very low | 156 Ų | 156 | 133 Ų | 133 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | 77.3 | 156.4 | 176.5 | -55.7 | -173.8 | 0 | 0 | 0 | 118.6 | | |
| 663 | S | 33.5 | Very low | 33.2 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 76% | 0.755 | S | S | * | * | | | cis | -172 | 141.6 | -31 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 664 | N | 29.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 129.6 Ų | 129.6 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | | | trans | 60.7 | 145.6 | 135.7 | -73.3 | -12 | 0 | 0 | 0 | 125.6 | | |
| 665 | L | 31.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | | | trans | 71.4 | 150.5 | 155.4 | -95.4 | 65.7 | 0 | 0 | 0 | 117.5 | | |
| 666 | S | 33.2 | Very low | 32.6 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 59% | 0.594 | 76% | 0.761 | S | S | * | * | | | cis | -154.3 | 158.9 | 8.8 | -145.7 | 0 | 0 | 0 | 0 | 115.6 | | |
| 667 | N | 34.1 | Very low | 32.2 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | | | trans | 53 | 101.3 | 148.1 | -66.1 | -9.9 | 0 | 0 | 0 | 124.1 | | |
| 668 | Q | 31.8 | Very low | 32.1 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | | | | 56.1 | 156.1 | 119 | -86.9 | -148.1 | 8.2 | 0 | 0 | 125.1 | | |
| 669 | P | 36.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 75% | 0.745 | S | S | * | * | | | trans | -116.5 | 167.8 | -176 | 43.4 | -32.3 | 0 | 0 | 0 | 116.2 | | |
| 670 | S | 34.5 | Very low | 31.5 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -147.9 | 115.6 | 158.7 | 50.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 671 | I | 32.2 | Very low | 30.9 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | | | | 92.3 | 136.2 | 82.6 | -81 | 171.3 | 0 | 0 | 0 | 112.2 | | |
| 672 | P | 35.5 | Very low | 30.9 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | | | trans | -116.4 | 162 | -158.8 | 41.4 | -30.6 | 0 | 0 | 0 | 114.9 | | |
| 673 | Q | 30.1 | Very low | 30.5 | Very low | 205 Ų | 205 | 140 Ų | 140 | 96% | 0.958 | 74% | 0.744 | S | S | * | * | | | trans | -167.6 | 146.3 | 145.3 | -106 | 146.1 | 0.6 | 0 | 0 | 111.2 | | |
| 674 | G | 28.5 | Very low | 30.2 | Very low | 69 Ų | 69 | 142.8 Ų | 142.8 | 71% | 0.711 | 75% | 0.751 | S | S | * | * | | | trans | 175.1 | 30.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115 | I676 | G674-I676 PolarHBondContact O-N 3Š|
| 675 | Y | 25.9 | Very low | 30.2 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 86% | 0.863 | 76% | 0.757 | S | S | * | * | | | trans | -80.1 | 110.5 | 174 | -164.7 | -84.6 | 0 | 0 | 0 | 108.7 | D677 | Y675-D677 HydrophobicContact CE1-CB 4.38Š|
| 676 | I | 30.1 | Very low | 30.2 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 71% | 0.708 | 75% | 0.753 | S | S | * | * | | | trans | -126.6 | 94 | 174.7 | -40.9 | -177.2 | 0 | 0 | 0 | 109.4 | G674 V678 | G674-I676 PolarHBondContact O-N 3Å; I676-V678 HydrophobicContact CB-CG2 4.34Å; I676-V678 HydrophobicContact CG2-CG2 3.44Å; I676-V678 VanDerWaalsContact CG2-CG2 3.44Å; I676-V678 PolarHBondContact O-N 3.45Å |
| 677 | D | 25.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 143.7 Ų | 143.7 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | | | trans | -64 | 118.7 | 155 | 175.7 | -5.8 | 0 | 0 | 0 | 107.9 | Y675 S679 | Y675-D677 HydrophobicContact CE1-CB 4.38Å; D677-S679 WeakPolarHBondContact OD1-CB 3.37Å; D677-S679 PolarHBondContact OD1-N 3.5Å; D677-S679 PolarHBondContact OD1-OG 2.96Å |
| 678 | V | 32 | Very low | 30.1 | Very low | 90 Ų | 90 | 143.3 Ų | 143.3 | 55% | 0.545 | 76% | 0.762 | S | S | . | * | | | trans | -116.7 | 64.9 | 170.3 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | I676 R680 | I676-V678 HydrophobicContact CB-CG2 4.34Å; I676-V678 HydrophobicContact CG2-CG2 3.44Å; I676-V678 VanDerWaalsContact CG2-CG2 3.44Å; I676-V678 PolarHBondContact O-N 3.45Å; V678-R680 HydrophobicContact CG1-CB 4.22Å; V678-R680 HydrophobicContact CG1-CG 3.76Å; V678-R680 PolarHBondContact O-N 3.05Å |
| 679 | S | 24.1 | Very low | 30 | Very low | 97 Ų | 97 | 141.7 Ų | 141.7 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | | | trans | -62 | 71.7 | 161.3 | -68.8 | 0 | 0 | 0 | 0 | 111.8 | D677 | D677-S679 WeakPolarHBondContact OD1-CB 3.37Å; D677-S679 PolarHBondContact OD1-N 3.5Å; D677-S679 PolarHBondContact OD1-OG 2.96Å |
| 680 | R | 30.5 | Very low | 29.7 | Very low | 208 Ų | 208 | 141.1 Ų | 141.1 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | trans | -118.2 | 113.3 | 164.8 | -60.5 | -179.4 | -171.3 | -169.2 | 3.4 | 105.7 | V678 | V678-R680 HydrophobicContact CG1-CB 4.22Å; V678-R680 HydrophobicContact CG1-CG 3.76Å; V678-R680 PolarHBondContact O-N 3.05Å |
| 681 | R | 24.6 | Very low | 29.6 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 76% | 0.759 | S | S | * | * | | | | 53 | 146 | 59.5 | -69.1 | -172.1 | 148.9 | -168 | -6.3 | 112.4 | | |
| 682 | L | 31.1 | Very low | 29.3 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 73.8 | 143.7 | -170.6 | -44.4 | 175.8 | 0 | 0 | 0 | 113.6 | | |
| 683 | N | 26.2 | Very low | 29.2 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | | | cis | -164.9 | 156.1 | -37.6 | -115.2 | -5.1 | 0 | 0 | 0 | 109.7 | | |
| 684 | L | 26.7 | Very low | 29.1 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | 33.7 | 106.8 | 144.2 | -57.3 | 168.6 | 0 | 0 | 0 | 119.9 | | |
| 685 | S | 28 | Very low | 29.3 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 88% | 0.881 | 77% | 0.771 | S | S | * | * | | | trans | -167.3 | 103.9 | 132.6 | 6.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 686 | P | 33 | Very low | 29.5 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | trans | -114 | 140.2 | -176.9 | 37.7 | -28.6 | 0 | 0 | 0 | 114.7 | | |
| 687 | L | 32.1 | Very low | 29.5 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -152.3 | 131.3 | 165.6 | -72.4 | -178.6 | 0 | 0 | 0 | 107.7 | | |
| 688 | I | 32.8 | Very low | 29.9 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 70% | 0.703 | 79% | 0.787 | S | S | * | * | S | Bend | cis | -142.2 | 131.1 | 2.9 | -91.7 | 148.2 | 0 | 0 | 0 | 109.6 | | |
| 689 | L | 29.2 | Very low | 29.7 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | | | trans | 29.3 | 145.8 | 154.5 | -68.9 | 92.3 | 0 | 0 | 0 | 122.2 | | |
| 690 | S | 30.1 | Very low | 30.1 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | | | cis | -151.9 | 169.1 | 11.9 | -154.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 691 | S | 32.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | 71.3 | 108.7 | 165.5 | -54.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 692 | C | 27.2 | Very low | 30.6 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | | | trans | -110.3 | 153.8 | -171.2 | -59.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 693 | S | 32.4 | Very low | 30.8 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -167.7 | 116.9 | 139.1 | -82.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 694 | T | 28.4 | Very low | 31.1 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | -123.5 | 134.2 | -177.5 | 50.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 695 | V | 33.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | | | trans | -121.3 | 132.7 | 165.7 | -180 | 0 | 0 | 0 | 0 | 108.2 | | |
| 696 | T | 29.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 137.7 Ų | 137.7 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | | | trans | -102 | 138.5 | -175.6 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 697 | G | 30 | Very low | 31.7 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -168.1 | 129.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 698 | S | 33.6 | Very low | 31.6 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | | | trans | 59.6 | 137.8 | 167.5 | -150.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 699 | S | 29 | Very low | 31.8 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -121 | 123.5 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 700 | E | 31.7 | Very low | 32.1 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -139.3 | 143.7 | 173.4 | -160.9 | 166 | -138.1 | 0 | 0 | 110.6 | T702 | E700-T702 PolarHBondContact O-N 2.92Å; E700-T702 VanDerWaalsContact O-N 3.14Å |
| 701 | S | 32 | Very low | 32.3 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | -90.9 | 76.8 | -161.6 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | K703 | S701-K703 PolarHBondContact O-N 2.92Š|
| 702 | T | 34.2 | Very low | 32.3 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | | | trans | -62.3 | 103.8 | 179.8 | -42.8 | 0 | 0 | 0 | 0 | 112.7 | E700 L704 | E700-T702 PolarHBondContact O-N 2.92Å; E700-T702 VanDerWaalsContact O-N 3.14Å; T702-L704 PolarHBondContact O-N 2.83Å |
| 703 | K | 34.7 | Very low | 32.6 | Very low | 186 Ų | 186 | 133.8 Ų | 133.8 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | | | trans | -67.6 | 112.4 | 172.6 | -68 | 177 | -178.9 | 173.2 | 0 | 110.3 | S701 Y705 | S701-K703 PolarHBondContact O-N 2.92Å; K703-Y705 PolarHBondContact O-N 2.72Å |
| 704 | L | 33.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | | | trans | -71.7 | 99.2 | 179.1 | -65.2 | 177.3 | 0 | 0 | 0 | 111.7 | T702 F706 | T702-L704 PolarHBondContact O-N 2.83Å; L704-F706 HydrophobicContact CB-CD2 4.34Å; L704-F706 HydrophobicContact CB-CE2 3.82Å; L704-F706 HydrophobicContact CB-CZ 4.44Å; L704-F706 HydrophobicContact CD1-CE2 4.2Å; L704-F706 HydrophobicContact CD1-CZ 4.4Å |
| 705 | Y | 32.8 | Very low | 33 | Very low | 214 Ų | 214 | 135.7 Ų | 135.7 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -85 | 106.9 | 171.6 | -119.8 | -97.1 | 0 | 0 | 0 | 110.5 | K703 | K703-Y705 PolarHBondContact O-N 2.72Š|
| 706 | F | 32.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | | | trans | -96.5 | 118.7 | 172 | -70.4 | -75.3 | 0 | 0 | 0 | 110.4 | L704 A708 | L704-F706 HydrophobicContact CB-CD2 4.34Å; L704-F706 HydrophobicContact CB-CE2 3.82Å; L704-F706 HydrophobicContact CB-CZ 4.44Å; L704-F706 HydrophobicContact CD1-CE2 4.2Å; L704-F706 HydrophobicContact CD1-CZ 4.4Å; F706-A708 PolarHBondContact O-N 3.27Å |
| 707 | P | 35.6 | Very low | 32.9 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 57% | 0.565 | 77% | 0.769 | S | S | * | * | | | trans | -73.3 | 89.4 | 176.3 | 29.4 | -33.8 | 0 | 0 | 0 | 110.8 | N709 | P707-N709 PolarHBondContact O-N 2.9Å; P707-N709 VanDerWaalsContact O-N 3.1Å |
| 708 | A | 29.4 | Very low | 33.1 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -76.4 | 89.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F706 | F706-A708 PolarHBondContact O-N 3.27Š|
| 709 | N | 36.5 | Very low | 33 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 63% | 0.626 | 77% | 0.768 | S | S | * | * | | | trans | -170.7 | 114.3 | 155 | -99.2 | -34 | 0 | 0 | 0 | 113 | M266 P707 | M266-N709 WeakPolarHBondContact CE-O 3.39Å; P707-N709 PolarHBondContact O-N 2.9Å; P707-N709 VanDerWaalsContact O-N 3.1Å |
| 710 | L | 36.6 | Very low | 33 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 64% | 0.644 | 77% | 0.765 | S | S | * | * | | | trans | -154.2 | 84.5 | 145.6 | -93.6 | -157.4 | 0 | 0 | 0 | 109.3 | M266 | M266-L710 HydrophobicContact CB-CD1 3.64Å; M266-L710 HydrophobicContact CB-CD2 3.99Å; M266-L710 HydrophobicContact CB-CG 3.98Å; M266-L710 HydrophobicContact CE-CD2 3.96Å; M266-L710 HydrophobicContact CE-CG 4.11Å; M266-L710 HydrophobicContact SD-CD2 4.34Å |
| 711 | F | 34.1 | Very low | 33.1 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 80% | 0.803 | 76% | 0.761 | S | S | * | * | | | trans | -78.5 | 141.1 | 158.5 | -75.1 | -89 | 0 | 0 | 0 | 109.2 | | |
| 712 | S | 31 | Very low | 33.2 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | trans | -66.8 | 134.1 | 170.6 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | T714 | S712-T714 VanDerWaalsContact C-N 3.3Å; S712-T714 PolarHBondContact O-N 3.25Å |
| 713 | P | 33.6 | Very low | 33.1 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -80.8 | 70.5 | -174 | 32.8 | -36.6 | 0 | 0 | 0 | 112.3 | | |
| 714 | T | 34.3 | Very low | 32.9 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -128 | 23.7 | -178.1 | 44.5 | 0 | 0 | 0 | 0 | 115.1 | S712 | S712-T714 VanDerWaalsContact C-N 3.3Å; S712-T714 PolarHBondContact O-N 3.25Å |
| 715 | L | 36.6 | Very low | 33 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 93% | 0.927 | 77% | 0.772 | S | S | * | * | | | trans | -120.2 | 113.5 | 162.5 | -73.8 | 177 | 0 | 0 | 0 | 111 | | |
| 716 | K | 31.2 | Very low | 33 | Very low | 214 Ų | 214 | 140.8 Ų | 140.8 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | | | trans | -83.9 | 130.7 | 168.9 | -70.7 | 178.5 | 177.5 | 175.8 | 0 | 109.3 | | |
| 717 | G | 28.9 | Very low | 33 | Very low | 70 Ų | 70 | 137.7 Ų | 137.7 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 100.3 | 63.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 718 | V | 34 | Very low | 33.2 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | | | trans | -132.8 | 125.8 | 139.9 | -168 | 0 | 0 | 0 | 0 | 107.1 | | |
| 719 | N | 30.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -92.7 | 153.5 | 176.5 | -72.2 | -16.8 | 0 | 0 | 0 | 110.5 | | |
| 720 | N | 29.9 | Very low | 33.2 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 56.3 | 113.2 | 160 | -57.4 | -3.8 | 0 | 0 | 0 | 118 | | |
| 721 | I | 33.1 | Very low | 33.1 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | | | | -153.3 | 138.2 | 126.7 | -100.2 | 146.3 | 0 | 0 | 0 | 107.7 | Y723 | I721-Y723 HydrophobicContact CG2-CE2 4.33Š|
| 722 | F | 33.4 | Very low | 33.1 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | | | trans | -76.1 | 146.5 | -177.6 | -72.9 | -110.6 | 0 | 0 | 0 | 111.4 | | |
| 723 | Y | 32.6 | Very low | 33.3 | Very low | 199 Ų | 199 | 144.9 Ų | 144.9 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | | | trans | -124.6 | 100.3 | 154.2 | -86.5 | -77 | 0 | 0 | 0 | 109.7 | I721 T725 | I721-Y723 HydrophobicContact CG2-CE2 4.33Å; Y723-T725 PolarHBondContact O-N 2.99Å |
| 724 | Q | 31.3 | Very low | 33.4 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -80.9 | 107.3 | 173.4 | -174.4 | 175.3 | 11.8 | 0 | 0 | 108.3 | A726 | Q724-A726 PolarHBondContact O-N 2.86Š|
| 725 | T | 34.9 | Very low | 33.5 | Very low | 130 Ų | 130 | 148.3 Ų | 148.3 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.7 | 172.6 | 45.4 | 0 | 0 | 0 | 0 | 109.5 | Y723 S727 | Y723-T725 PolarHBondContact O-N 2.99Å; T725-S727 PolarHBondContact O-N 3.5Å |
| 726 | A | 33.7 | Very low | 33.3 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 116.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q724 | Q724-A726 PolarHBondContact O-N 2.86Š|
| 727 | S | 32.3 | Very low | 33.3 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 147.1 | 169.7 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | T725 T729 | T725-S727 PolarHBondContact O-N 3.5Å; S727-T729 PolarHBondContact O-N 3.05Å |
| 728 | P | 38.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 145.8 Ų | 145.8 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 127.2 | 174.7 | 27.5 | -34 | 0 | 0 | 0 | 110.4 | V730 | P728-V730 PolarHBondContact O-N 2.76Š|
| 729 | T | 32.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 148 Ų | 148 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | | | trans | -73.6 | 90.9 | -178.5 | -40.8 | 0 | 0 | 0 | 0 | 111 | S727 K731 | S727-T729 PolarHBondContact O-N 3.05Å; T729-K731 PolarHBondContact O-N 2.87Å |
| 730 | V | 34.6 | Very low | 34.1 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -64 | 120.9 | 163.5 | 179.5 | 0 | 0 | 0 | 0 | 107.7 | P728 S732 | P728-V730 PolarHBondContact O-N 2.76Å; V730-S732 PolarHBondContact O-N 3.21Å |
| 731 | K | 34 | Very low | 34.5 | Very low | 195 Ų | 195 | 146.2 Ų | 146.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -76.2 | 102.8 | 174.2 | -65.7 | -178.9 | 178.9 | -178.6 | 0 | 108.9 | T729 | T729-K731 PolarHBondContact O-N 2.87Š|
| 732 | S | 34.2 | Very low | 34.7 | Very low | 89 Ų | 89 | 146.7 Ų | 146.7 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | | | trans | -65.2 | 147.1 | 156.6 | 63.8 | 0 | 0 | 0 | 0 | 108.7 | V730 D734 | V730-S732 PolarHBondContact O-N 3.21Å; S732-D734 WeakPolarHBondContact CB-OD2 3.34Å; S732-D734 PolarHBondContact OG-OD2 2.92Å |
| 733 | M | 34.6 | Very low | 34.9 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | | | trans | -115.6 | 66.8 | 178.8 | -172.6 | 166.5 | 58.2 | 0 | 0 | 108.9 | K735 | M733-K735 PolarHBondContact O-N 3.25Š|
| 734 | D | 35.2 | Very low | 35.2 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | -71.5 | 107.8 | -178.2 | -67.1 | -71.2 | 0 | 0 | 0 | 111 | S732 | S732-D734 WeakPolarHBondContact CB-OD2 3.34Å; S732-D734 PolarHBondContact OG-OD2 2.92Å |
| 735 | K | 36.6 | Very low | 35.3 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 81% | 0.809 | 79% | 0.79 | S | S | * | * | | | trans | -92.8 | 103.7 | 168.6 | -81.9 | -172.7 | 172.2 | -175 | 0 | 110.1 | M733 | M733-K735 PolarHBondContact O-N 3.25Š|
| 736 | Q | 33.1 | Very low | 35.4 | Very low | 188 Ų | 188 | 144 Ų | 144 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | | | trans | -160.3 | 154.8 | 156.9 | -116.7 | 162.3 | 82.1 | 0 | 0 | 111.7 | | |
| 737 | S | 32.3 | Very low | 35.6 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | 83.2 | 139.4 | -160.6 | -51.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 738 | A | 35 | Very low | 35.9 | Very low | 91 Ų | 91 | 146 Ų | 146 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | -139.3 | -166.1 | 4.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 739 | E | 39.1 | Very low | 35.8 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | trans | 74.4 | 91.4 | 170.9 | -53.3 | -161.5 | 147.5 | 0 | 0 | 117.5 | | |
| 740 | N | 35.4 | Very low | 36 | Very low | 176 Ų | 176 | 146 Ų | 146 | 94% | 0.941 | 78% | 0.777 | S | S | * | * | | | trans | -141.7 | 127.7 | 152.1 | -115.7 | -27.6 | 0 | 0 | 0 | 107.8 | | |
| 741 | G | 37.8 | Very low | 36.3 | Very low | 65 Ų | 65 | 145.7 Ų | 145.7 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | | | trans | -111.1 | 133.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 742 | L | 37.2 | Very low | 36.4 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | 49.5 | 119.1 | 144 | -64.3 | 164.5 | 0 | 0 | 0 | 117.1 | | |
| 743 | K | 38.6 | Very low | 36.6 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 70% | 0.696 | 78% | 0.78 | S | S | * | * | | | cis | -172.2 | 148.2 | 41.7 | -116.8 | 165 | -175.8 | 178.3 | 0 | 112.8 | | |
| 744 | Q | 38.6 | Very low | 36.5 | Very low | 151 Ų | 151 | 147.3 Ų | 147.3 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | | | trans | 57.9 | 114 | 139.7 | -72.8 | 173 | -18.5 | 0 | 0 | 119.8 | | |
| 745 | N | 33.8 | Very low | 37 | Very low | 128 Ų | 128 | 145.5 Ų | 145.5 | 68% | 0.684 | 78% | 0.777 | S | S | * | * | | | | 76.9 | 142.5 | 97.2 | -77.5 | -22 | 0 | 0 | 0 | 115.1 | | |
| 746 | R | 36.7 | Very low | 36.8 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 79% | 0.789 | 77% | 0.774 | S | S | * | * | | | cis | -157.7 | 134.1 | 10.8 | -130.7 | 170.6 | -177.2 | -176.3 | 1.1 | 112.7 | | |
| 747 | N | 37.9 | Very low | 36.9 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | 68.1 | 139.1 | 131.4 | -81.1 | 47.9 | 0 | 0 | 0 | 126 | | |
| 748 | N | 38.6 | Very low | 37 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 64% | 0.642 | 75% | 0.751 | S | S | * | * | | | trans | 96.2 | 94.5 | 137.4 | -69 | 7.9 | 0 | 0 | 0 | 122.4 | | |
| 749 | N | 36.7 | Very low | 37.1 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | | | | 86.2 | 126.7 | 112.6 | -64.1 | -1.2 | 0 | 0 | 0 | 123.6 | | |
| 750 | S | 36.5 | Very low | 37 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | 96.2 | 115.8 | 140.4 | -62 | 0 | 0 | 0 | 0 | 120.1 | | |
| 751 | P | 40.4 | Very low | 37 | Very low | 123 Ų | 123 | 139 Ų | 139 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | | | trans | -110.7 | 154.4 | 170.7 | 39.3 | -30.9 | 0 | 0 | 0 | 114.2 | | |
| 752 | T | 37.3 | Very low | 36.6 | Very low | 128 Ų | 128 | 141.4 Ų | 141.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | -160.2 | 153.6 | 160.8 | 1.8 | 0 | 0 | 0 | 0 | 114 | | |
| 753 | N | 37.7 | Very low | 36.5 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | trans | 59.3 | 105.2 | 163.3 | -59.3 | -20.7 | 0 | 0 | 0 | 117.9 | | |
| 754 | Y | 33 | Very low | 36.1 | Very low | 226 Ų | 226 | 142.7 Ų | 142.7 | 89% | 0.886 | 74% | 0.744 | S | S | * | * | | | | 58.3 | 148.2 | 74.9 | -78.3 | -48.5 | 0 | 0 | 0 | 115.9 | | |
| 755 | P | 45.1 | Very low | 35.9 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 66% | 0.656 | 75% | 0.746 | S | S | * | * | | | trans | -121.1 | -172.5 | -136.8 | 41.4 | -26.5 | 0 | 0 | 0 | 113.1 | | |
| 756 | F | 32.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 75% | 0.746 | 75% | 0.747 | S | S | * | * | | | | -167.1 | 140.3 | 122.6 | -122.8 | -122.3 | 0 | 0 | 0 | 113.4 | | |
| 757 | Q | 34.3 | Very low | 35.9 | Very low | 138 Ų | 138 | 138 Ų | 138 | 65% | 0.645 | 74% | 0.742 | S | S | * | * | | | trans | 40.8 | 147.9 | 144.8 | -74.1 | -168.8 | 8 | 0 | 0 | 125.6 | | |
| 758 | K | 35.1 | Very low | 36 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | 95.1 | 129.4 | 138.1 | -88.7 | 165.7 | 168.7 | -89.8 | 0 | 121.1 | | |
| 759 | E | 36.5 | Very low | 36.1 | Very low | 142 Ų | 142 | 137.3 Ų | 137.3 | 66% | 0.664 | 74% | 0.738 | S | S | * | * | | | trans | 63.8 | 89.8 | 138.1 | -72.7 | 158.4 | -150.1 | 0 | 0 | 120.3 | | |
| 760 | S | 36.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | | | | 154.3 | 153.6 | 92.4 | -76.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 761 | P | 35.8 | Very low | 36.5 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | trans | -94.4 | 157.9 | -177.4 | 37.4 | -35.7 | 0 | 0 | 0 | 114.7 | | |
| 762 | S | 30.4 | Very low | 36.7 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | | | trans | 42.5 | 95 | 143 | -55.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 763 | R | 34 | Very low | 36.8 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | | | trans | -159.5 | 124 | 139.6 | -113.6 | 157.9 | -169.5 | -119.4 | -0.6 | 114 | | |
| 764 | S | 30.4 | Very low | 37 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | | | trans | -89.9 | 128.7 | 169.6 | 52.8 | 0 | 0 | 0 | 0 | 111 | | |
| 765 | L | 33.5 | Very low | 37.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 73% | 0.733 | 70% | 0.704 | S | S | * | * | | | trans | -152.4 | 138.5 | 166.2 | -78 | -177.2 | 0 | 0 | 0 | 111 | | |
| 766 | I | 34 | Very low | 36.7 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | | | trans | 60.4 | 129.9 | 137.3 | -66.5 | 170.2 | 0 | 0 | 0 | 117.5 | | |
| 767 | T | 38.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | | | cis | -162.8 | -176.7 | -5.3 | 31.6 | 0 | 0 | 0 | 0 | 106.3 | | |
| 768 | N | 38.8 | Very low | 36.9 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | | | cis | -164 | 154.9 | 24.2 | -138.3 | -0.9 | 0 | 0 | 0 | 114.2 | | |
| 769 | N | 40.2 | Very low | 36.9 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 60% | 0.599 | 72% | 0.72 | S | S | * | * | | | trans | 63.2 | 123.6 | 146.6 | -70 | -12.2 | 0 | 0 | 0 | 124.4 | | |
| 770 | N | 40.7 | Very low | 37.1 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | | | trans | 68.7 | 132.9 | 140.5 | -52.5 | -11.8 | 0 | 0 | 0 | 118.3 | | |
| 771 | N | 41.7 | Very low | 37.1 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | | | cis | -167 | 173.5 | -7.9 | -111.8 | -21 | 0 | 0 | 0 | 108 | | |
| 772 | H | 43.9 | Very low | 37.1 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | | | cis | -154.8 | -179.3 | 8.4 | -125.3 | -41.1 | 0 | 0 | 0 | 110.3 | | |
| 773 | N | 40.2 | Very low | 37.2 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | trans | 4.2 | 144.5 | 144.1 | -56.4 | 8.6 | 0 | 0 | 0 | 119.2 | | |
| 774 | S | 41.1 | Very low | 37.2 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | | | cis | 178.5 | 158 | 2.2 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 775 | S | 39.2 | Very low | 37.4 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | | | cis | -178.1 | 156.1 | -11.8 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 776 | C | 33.8 | Very low | 37.4 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 78% | 0.784 | 71% | 0.709 | S | S | * | * | | | trans | 46.5 | 151.1 | 151.2 | 62.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 777 | S | 36.1 | Very low | 37.4 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | cis | -168.2 | 154.1 | -9.9 | 40.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 778 | S | 34.3 | Very low | 37.2 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | | | trans | 21.2 | 118.5 | 143.6 | -38.2 | 0 | 0 | 0 | 0 | 121.1 | | |
| 779 | N | 34.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 120.1 Ų | 120.1 | 84% | 0.84 | 71% | 0.713 | S | S | * | * | | | | 161.9 | 144.6 | 109.8 | -82.3 | -19.7 | 0 | 0 | 0 | 113.4 | | |
| 780 | P | 41.9 | Very low | 37.1 | Very low | 119 Ų | 119 | 122.6 Ų | 122.6 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | trans | -104.2 | 134 | 171.9 | 36.5 | -29.5 | 0 | 0 | 0 | 113.6 | | |
| 781 | S | 36.8 | Very low | 36.9 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 80% | 0.797 | 72% | 0.724 | S | S | * | * | | | trans | -168.1 | 118.9 | 165.4 | -84.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 782 | V | 34.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 121.4 Ų | 121.4 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | | 94.2 | 108.1 | 78.9 | 164.2 | 0 | 0 | 0 | 0 | 113 | | |
| 783 | L | 31.8 | Very low | 36.7 | Very low | 146 Ų | 146 | 119.9 Ų | 119.9 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | | | trans | 71.9 | 146.6 | 148.6 | -77.1 | 173.4 | 0 | 0 | 0 | 124.4 | | |
| 784 | H | 34.5 | Very low | 36.7 | Very low | 148 Ų | 148 | 117.7 Ų | 117.7 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | | | trans | 88.9 | 139 | 145.4 | -97.1 | -76.8 | 0 | 0 | 0 | 122.5 | | |
| 785 | D | 34.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 119.8 Ų | 119.8 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | trans | 62.5 | 146.5 | 158.9 | -61.2 | -14.5 | 0 | 0 | 0 | 119.9 | | |
| 786 | L | 33.1 | Very low | 36.7 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | cis | 164.4 | 156.8 | -27.2 | -109.1 | 177.1 | 0 | 0 | 0 | 104.2 | | |
| 787 | S | 35.1 | Very low | 36.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | | | trans | 73.5 | 152.9 | 173.5 | -41.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 788 | S | 34.3 | Very low | 37 | Very low | 95 Ų | 95 | 119.1 Ų | 119.1 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | | | cis | -173.1 | 170.7 | -30.7 | 58.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 789 | S | 38.2 | Very low | 37.2 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | | | trans | 73.1 | 155.3 | 161.2 | -35.9 | 0 | 0 | 0 | 0 | 116 | | |
| 790 | Q | 37.8 | Very low | 37.4 | Very low | 165 Ų | 165 | 120.8 Ų | 120.8 | 77% | 0.771 | 74% | 0.736 | S | S | * | * | | | cis | -161.1 | 146.9 | -3.4 | -132.7 | 164.4 | 58.1 | 0 | 0 | 110.5 | | |
| 791 | S | 37.4 | Very low | 37.6 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | | | trans | 51.1 | 152.9 | 150.9 | 61.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 792 | S | 39.3 | Very low | 38.1 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | | | cis | -175.3 | 177.1 | -21.3 | 70.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 793 | S | 41.3 | Very low | 38.3 | Very low | 107 Ų | 107 | 119.4 Ų | 119.4 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | cis | -158.9 | -168.7 | 1.4 | 64.4 | 0 | 0 | 0 | 0 | 106.2 | | |
| 794 | S | 39.7 | Very low | 38.6 | Very low | 85 Ų | 85 | 118.4 Ų | 118.4 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | | | cis | -160 | -178.6 | 0.2 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 795 | N | 39.6 | Very low | 38.9 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 73% | 0.725 | S | S | * | * | | | trans | 35.3 | 136 | 138.3 | -56.2 | -7.2 | 0 | 0 | 0 | 121.3 | | |
| 796 | S | 40.9 | Very low | 39.1 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | | | cis | -170.8 | 152.3 | 7.2 | 45.7 | 0 | 0 | 0 | 0 | 115 | | |
| 797 | A | 39.3 | Very low | 39.3 | Very low | 86 Ų | 86 | 117.8 Ų | 117.8 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | | | trans | 57.8 | 121.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 798 | S | 36.9 | Very low | 39.3 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | | 70.4 | 145.8 | 61.8 | 73.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 799 | L | 38.6 | Very low | 39.3 | Very low | 145 Ų | 145 | 124.9 Ų | 124.9 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | cis | -130.5 | 151.9 | 19.9 | -86.3 | 91.7 | 0 | 0 | 0 | 112.2 | | |
| 800 | I | 39 | Very low | 39.2 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | | 71.8 | 126.9 | 78.6 | -55.7 | 179.3 | 0 | 0 | 0 | 116.4 | | |
| 801 | P | 47.2 | Very low | 39 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | trans | -102.3 | -171.3 | -176.6 | 44.1 | -39 | 0 | 0 | 0 | 113.9 | | |
| 802 | P | 46.7 | Very low | 38.8 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | | | | -158.3 | 175.7 | 90 | 42.8 | -23.3 | 0 | 0 | 0 | 118.5 | | |
| 803 | S | 38.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | | | trans | 62.1 | 161.8 | 151.1 | 79.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 804 | N | 37.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 132 Ų | 132 | 67% | 0.674 | 74% | 0.735 | S | S | * | * | | | cis | -159.1 | 148.3 | 3.7 | -137.5 | 7.7 | 0 | 0 | 0 | 112.3 | | |
| 805 | H | 41.9 | Very low | 37.5 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | | | trans | 58.1 | 153.7 | 162.7 | -65.6 | -67.8 | 0 | 0 | 0 | 119.6 | | |
| 806 | D | 38.1 | Very low | 37.2 | Very low | 119 Ų | 119 | 132.8 Ų | 132.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | cis | -154.7 | 152.8 | -9.9 | -127.3 | 14.1 | 0 | 0 | 0 | 114 | | |
| 807 | N | 36.6 | Very low | 36.7 | Very low | 133 Ų | 133 | 133 Ų | 133 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | | | trans | 35.6 | 99.6 | 147.8 | -66 | -48.1 | 0 | 0 | 0 | 122.5 | | |
| 808 | S | 36.7 | Very low | 36.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | | | | -167.9 | 149.6 | 103.2 | 56.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 809 | R | 34.4 | Very low | 36.5 | Very low | 234 Ų | 234 | 133.4 Ų | 133.4 | 88% | 0.883 | 75% | 0.753 | S | S | * | * | | | trans | -105.1 | 101.8 | -169.5 | -68.7 | -176.9 | -179.7 | 177.1 | 0.2 | 113.2 | | |
| 810 | H | 36.1 | Very low | 36.2 | Very low | 180 Ų | 180 | 135 Ų | 135 | 83% | 0.833 | 76% | 0.761 | S | S | * | * | | | trans | -83.1 | 130.8 | 147.9 | -107.9 | -97.1 | 0 | 0 | 0 | 108.5 | | |
| 811 | L | 33 | Very low | 35.8 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -124.7 | 108.1 | 168.9 | -74.7 | -177 | 0 | 0 | 0 | 110.2 | F813 | L811-F813 HydrophobicContact CD2-CE2 4Š|
| 812 | T | 32.2 | Very low | 35.1 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -106 | 103.5 | 170.1 | -54.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 813 | F | 33.4 | Very low | 34.5 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 75% | 0.746 | 76% | 0.762 | S | S | * | * | | | trans | -117.4 | 116.7 | 161.4 | -67.9 | -75.8 | 0 | 0 | 0 | 106.3 | L811 | L811-F813 HydrophobicContact CD2-CE2 4Š|
| 814 | L | 33.1 | Very low | 34 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | | 59 | 84.2 | 61.8 | -62.8 | 179.1 | 0 | 0 | 0 | 113.1 | | |
| 815 | S | 28 | Very low | 33.9 | Very low | 108 Ų | 108 | 142.9 Ų | 142.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | 42.1 | 105.4 | 130.1 | 176.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 816 | T | 33.6 | Very low | 33.3 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | trans | -152 | 125.3 | 134.3 | -19.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 817 | S | 30.6 | Very low | 33.2 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | -108.4 | 137.1 | 172.4 | -55.9 | 0 | 0 | 0 | 0 | 110 | | |
| 818 | P | 41.5 | Very low | 32.7 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -100.4 | 106 | 153.3 | 30.1 | -18.9 | 0 | 0 | 0 | 108.8 | | |
| 819 | G | 29.5 | Very low | 32.6 | Very low | 70 Ų | 70 | 148.4 Ų | 148.4 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | trans | -82 | 136 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 820 | L | 32.5 | Very low | 32.2 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | -106 | 105.6 | 162.2 | -88.9 | 171.4 | 0 | 0 | 0 | 109.1 | | |
| 821 | V | 30.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 139 Ų | 139 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -83.4 | 130 | 169 | 176.6 | 0 | 0 | 0 | 0 | 108.1 | T823 | V821-T823 HydrophobicContact CG1-CG2 3.88Š|
| 822 | M | 31.9 | Very low | 31.9 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -121.4 | 124.7 | 153.6 | -92.1 | -69.1 | 151.5 | 0 | 0 | 107.8 | | |
| 823 | T | 33.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 137.3 Ų | 137.3 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | | | trans | -83.9 | 142.6 | -166.2 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | V821 | V821-T823 HydrophobicContact CG1-CG2 3.88Š|
| 824 | E | 28.7 | Very low | 31.5 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -57 | 140 | 157.7 | -62 | 179.3 | 116.2 | 0 | 0 | 110.1 | | |
| 825 | Q | 35.4 | Very low | 31.4 | Very low | 179 Ų | 179 | 137 Ų | 137 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | | | trans | -125.5 | 126.2 | 153.5 | -74.2 | -158.8 | 1.5 | 0 | 0 | 109.7 | | |
| 826 | N | 30 | Very low | 31.6 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 127.6 | 175.5 | -88.5 | -57.9 | 0 | 0 | 0 | 110.9 | | |
| 827 | S | 35.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -156.7 | 106.7 | 145.6 | 34.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 828 | R | 27 | Very low | 31.3 | Very low | 239 Ų | 239 | 138.6 Ų | 138.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -68.2 | 145.7 | 153.4 | -75.3 | -178.6 | 171.6 | -174.2 | -2.7 | 107.8 | | |
| 829 | P | 33.5 | Very low | 31 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -124.6 | 150 | 116.1 | 35.2 | -32.4 | 0 | 0 | 0 | 112.1 | | |
| 830 | S | 27.2 | Very low | 31.1 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -108.8 | 111.4 | 175.7 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 831 | S | 32.3 | Very low | 31 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -172 | 141.4 | 149.1 | 50 | 0 | 0 | 0 | 0 | 113.2 | | |
| 832 | T | 30 | Very low | 31 | Very low | 142 Ų | 142 | 139.3 Ų | 139.3 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | | | trans | 10.6 | 113.4 | 148.8 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 833 | G | 29.9 | Very low | 30.9 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | -156.1 | 117.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 834 | S | 27.9 | Very low | 30.7 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | | | trans | -84.4 | 123.7 | -178.8 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 835 | F | 30.4 | Very low | 30.8 | Very low | 189 Ų | 189 | 133.3 Ų | 133.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | | | trans | -139.6 | 103.5 | 171.4 | -76.9 | -71.5 | 0 | 0 | 0 | 114 | | |
| 836 | V | 31.6 | Very low | 30.7 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | 33.4 | 112.4 | 138.6 | -171.5 | 0 | 0 | 0 | 0 | 117.9 | N838 | V836-N838 PolarHBondContact O-N 2.76Š|
| 837 | T | 28.1 | Very low | 30.9 | Very low | 142 Ų | 142 | 134.4 Ų | 134.4 | 87% | 0.871 | 77% | 0.768 | S | S | * | * | | | trans | -59.4 | 121.2 | 163.4 | 49.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 838 | N | 31.2 | Very low | 31 | Very low | 141 Ų | 141 | 133.6 Ų | 133.6 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -132.4 | 114.2 | 179.7 | -149.5 | -12.6 | 0 | 0 | 0 | 111 | V836 L840 | V836-N838 PolarHBondContact O-N 2.76Å; N838-L840 PolarHBondContact O-N 2.89Å |
| 839 | P | 33.4 | Very low | 31.7 | Very low | 96 Ų | 96 | 127.8 Ų | 127.8 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | | | trans | -78.3 | 107 | -174.5 | 30 | -33.4 | 0 | 0 | 0 | 111.7 | T841 | P839-T841 PolarHBondContact O-N 3.43Å; P839-T841 PolarHBondContact O-OG1 3.18Å; P839-T841 VanDerWaalsContact O-OG1 3.08Å |
| 840 | L | 33.2 | Very low | 32.2 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | trans | -50.8 | 106.7 | 179.5 | -74.4 | 174 | 0 | 0 | 0 | 112.1 | N838 F842 | N838-L840 PolarHBondContact O-N 2.89Å; L840-F842 HydrophobicContact CB-CD2 4.48Å; L840-F842 HydrophobicContact CB-CE2 4Å; L840-F842 HydrophobicContact CD1-CE2 4.39Å |
| 841 | T | 28.7 | Very low | 33.1 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 51% | 0.509 | 75% | 0.751 | S | S | . | * | | | trans | -99.3 | 95.8 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 109.2 | R139 P839 C843 | R139-T841 PolarHBondContact NH1-OG1 3.35Å; P839-T841 PolarHBondContact O-N 3.43Å; P839-T841 PolarHBondContact O-OG1 3.18Å; P839-T841 VanDerWaalsContact O-OG1 3.08Å; T841-C843 PolarHBondContact O-N 3.42Å |
| 842 | F | 31.9 | Very low | 33.8 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -76.8 | 108.8 | 175.4 | -73.1 | -80.2 | 0 | 0 | 0 | 111.2 | L840 | L840-F842 HydrophobicContact CB-CD2 4.48Å; L840-F842 HydrophobicContact CB-CE2 4Å; L840-F842 HydrophobicContact CD1-CE2 4.39Å |
| 843 | C | 30.1 | Very low | 34.4 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | | | trans | -72.6 | 125.6 | 168.3 | -67.9 | 0 | 0 | 0 | 0 | 110 | T841 S845 | T841-C843 PolarHBondContact O-N 3.42Å; C843-S845 PolarHBondContact O-N 3.49Å |
| 844 | V | 28.5 | Very low | 35 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | -78.2 | 92.6 | 173.5 | -179 | 0 | 0 | 0 | 0 | 109 | R846 | V844-R846 PolarHBondContact O-N 3.04Š|
| 845 | S | 30.9 | Very low | 35.5 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | trans | -57.2 | 120 | 171.3 | -65.9 | 0 | 0 | 0 | 0 | 110.3 | C843 N847 | C843-S845 PolarHBondContact O-N 3.49Å; S845-N847 PolarHBondContact O-N 3.05Å |
| 846 | R | 32.4 | Very low | 35.9 | Very low | 206 Ų | 206 | 133.2 Ų | 133.2 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | trans | -76.8 | 109.6 | 170.4 | -78.7 | -179.9 | 159.5 | -146.9 | -9.8 | 108.8 | V844 S848 | V844-R846 PolarHBondContact O-N 3.04Å; R846-S848 PolarHBondContact O-N 2.82Å |
| 847 | N | 35.8 | Very low | 36.3 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 87% | 0.866 | 77% | 0.767 | S | S | * | * | | | trans | -67.7 | 82.7 | 159.9 | -73.3 | 3.9 | 0 | 0 | 0 | 108.6 | S845 | S845-N847 PolarHBondContact O-N 3.05Š|
| 848 | S | 37.4 | Very low | 36.9 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 133.6 | 166.1 | -163.9 | 0 | 0 | 0 | 0 | 108 | R846 V850 | R846-S848 PolarHBondContact O-N 2.82Å; S848-V850 PolarHBondContact O-N 3.09Å |
| 849 | P | 41.4 | Very low | 37.1 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.6 | 175.2 | 26.2 | -33.1 | 0 | 0 | 0 | 109.3 | | |
| 850 | V | 44.3 | Very low | 37.3 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -76 | 124.9 | 172.2 | 177.2 | 0 | 0 | 0 | 0 | 107.5 | S848 | S848-V850 PolarHBondContact O-N 3.09Š|
| 851 | P | 44.7 | Very low | 37.4 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.2 | 174.1 | 28 | -33.7 | 0 | 0 | 0 | 109.5 | R853 | P851-R853 PolarHBondContact O-N 3.43Š|
| 852 | P | 48.3 | Very low | 37.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.7 | -178.8 | 26.5 | -33.6 | 0 | 0 | 0 | 110.2 | | |
| 853 | R | 42.7 | Very low | 37.8 | Very low | 237 Ų | 237 | 135.1 Ų | 135.1 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 133.4 | 164.9 | -81.1 | -174 | 168.1 | -150.2 | -1.8 | 108.7 | P851 G855 | P851-R853 PolarHBondContact O-N 3.43Å; R853-G855 PolarHBondContact O-N 3.45Å |
| 854 | P | 42.6 | Very low | 38.1 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -69 | 98 | 166.6 | 28.6 | -32.1 | 0 | 0 | 0 | 108.8 | | |
| 855 | G | 38.2 | Very low | 38.7 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | | | trans | -78.4 | 133.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | R853 | R853-G855 PolarHBondContact O-N 3.45Š|
| 856 | L | 38.1 | Very low | 39.2 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 93% | 0.927 | 78% | 0.775 | S | S | * | * | | | trans | -66.8 | 146.1 | 171.7 | -64.7 | 90.6 | 0 | 0 | 0 | 109.9 | | |
| 857 | S | 41 | Very low | 39.6 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -125.5 | 135.5 | 162.7 | 57.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 858 | D | 40.5 | Very low | 39.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | | | trans | -76.3 | 173.4 | -162.2 | -101.4 | -60.4 | 0 | 0 | 0 | 116.2 | | |
| 859 | Q | 35.3 | Very low | 40.2 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -69.9 | 149.5 | -172.4 | -53.1 | -177.8 | 23.6 | 0 | 0 | 114 | | |
| 860 | G | 36.2 | Very low | 40.5 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | trans | 177.6 | 66.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 861 | L | 36.1 | Very low | 40.3 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | | 86.6 | 123.3 | 95 | -84.3 | 170.6 | 0 | 0 | 0 | 113.4 | | |
| 862 | L | 36.2 | Very low | 40 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | | | trans | 70.3 | 142.1 | 160.6 | -57.6 | 164.9 | 0 | 0 | 0 | 116.9 | | |
| 863 | S | 33.7 | Very low | 39.6 | Very low | 94 Ų | 94 | 138.2 Ų | 138.2 | 66% | 0.657 | 74% | 0.739 | S | S | * | * | | | cis | -164.1 | 137.5 | -18.5 | -167.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 864 | S | 36.3 | Very low | 39.5 | Very low | 88 Ų | 88 | 133 Ų | 133 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | | | trans | 53.8 | 149.1 | 142.8 | -52.7 | 0 | 0 | 0 | 0 | 124.1 | | |
| 865 | H | 40.9 | Very low | 39.5 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | trans | 87.8 | 143.7 | 157.7 | -54.5 | -62.7 | 0 | 0 | 0 | 120 | | |
| 866 | N | 40.4 | Very low | 39.4 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | | | cis | -174.7 | 161.1 | -38.6 | -116.8 | 10.9 | 0 | 0 | 0 | 110.9 | | |
| 867 | N | 40.7 | Very low | 39.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | | | trans | 67.2 | 149.1 | 157.6 | -60 | -9.3 | 0 | 0 | 0 | 117.6 | | |
| 868 | H | 41.6 | Very low | 39.5 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 73% | 0.731 | 71% | 0.71 | S | S | * | * | | | cis | -143.6 | 149.5 | -14.6 | -86.2 | -45.5 | 0 | 0 | 0 | 106.6 | | |
| 869 | H | 44.1 | Very low | 39.5 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | | | cis | 77.3 | 142.6 | 47.5 | -143.1 | -115.3 | 0 | 0 | 0 | 113.3 | | |
| 870 | P | 48.8 | Very low | 39.9 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 47% | 0.474 | 70% | 0.702 | S | S | . | * | | | cis | -145.2 | -148.4 | -38.9 | 46.1 | -29 | 0 | 0 | 0 | 114.2 | | |
| 871 | F | 39 | Very low | 40.1 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | | | trans | 78.2 | 152.6 | 161 | -69.4 | -41.6 | 0 | 0 | 0 | 119.1 | | |
| 872 | Y | 39 | Very low | 40.3 | Very low | 166 Ų | 166 | 133.6 Ų | 133.6 | 65% | 0.651 | 70% | 0.702 | S | S | * | * | | | cis | -153.6 | 140.2 | -0.7 | -121.9 | -45.2 | 0 | 0 | 0 | 113.5 | | |
| 873 | Q | 40.6 | Very low | 40.7 | Very low | 137 Ų | 137 | 131.1 Ų | 131.1 | 64% | 0.64 | 70% | 0.698 | S | S | * | * | | | trans | 45.5 | 136.2 | 138.5 | -94.1 | 174.8 | -17 | 0 | 0 | 127.3 | | |
| 874 | H | 41.3 | Very low | 41.1 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | | | | 105.9 | 130.7 | 124.7 | -89.8 | -54.7 | 0 | 0 | 0 | 125 | | |
| 875 | H | 41.5 | Very low | 41.6 | Very low | 153 Ų | 153 | 145.5 Ų | 145.5 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | | | trans | 54.9 | 121.1 | 155.9 | -64.6 | -63.2 | 0 | 0 | 0 | 120.8 | | |
| 876 | Q | 36 | Very low | 41.6 | Very low | 173 Ų | 173 | 144.5 Ų | 144.5 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | | 71.6 | 143.5 | 53.6 | -75.7 | -85.3 | -49.4 | 0 | 0 | 114.4 | | |
| 877 | P | 43 | Very low | 41.7 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | | | | -131.6 | -172.2 | -119.9 | 45.2 | -33 | 0 | 0 | 0 | 114.2 | | |
| 878 | S | 38.3 | Very low | 41.8 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | | | trans | 177.4 | 158.2 | 139.6 | -85.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 879 | A | 41.2 | Very low | 41.8 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | | | trans | 68.4 | 152.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 880 | L | 42.9 | Very low | 41.6 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | cis | -166.4 | 161 | -23.4 | -116 | 170.4 | 0 | 0 | 0 | 109.2 | | |
| 881 | S | 39.7 | Very low | 41.2 | Very low | 100 Ų | 100 | 149.9 Ų | 149.9 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | 66.2 | 161.7 | 157.2 | -71.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 882 | K | 41.7 | Very low | 41.3 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 80% | 0.8 | 77% | 0.768 | S | S | * | * | | | cis | -174.5 | 169.5 | -40.5 | -124.5 | 178.8 | 179.6 | -177.8 | 0 | 108.2 | | |
| 883 | S | 43.9 | Very low | 41.5 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | | | trans | 63.9 | 153.6 | 160.1 | 38.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 884 | Y | 41.3 | Very low | 41.6 | Very low | 224 Ų | 224 | 149.3 Ų | 149.3 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | | | cis | -171.9 | 129.1 | -32.8 | -130.9 | -71.7 | 0 | 0 | 0 | 107.3 | | |
| 885 | E | 48 | Very low | 41.6 | Very low | 260 Ų | 260 | 151.1 Ų | 151.1 | 100% | 1.215 | 81% | 0.806 | S | S | * | * | | | trans | -159.2 | 0 | 140.4 | -137.7 | 168.7 | -158 | 0 | 0 | 108.8 | | |