| 1 | M | 33 | Very low | 37.9 | Very low | 213 Ų | 213 | 147.6 Ų | 147.6 | 100% | 1.049 | 76% | 0.761 | S | S | * | * | | | | 0 | 102.8 | 0 | -62.4 | 70.2 | -176.2 | 0 | 0 | 106.1 | | |
| 2 | D | 36.4 | Very low | 37.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | | 87.9 | 134.9 | 80.2 | -65.1 | -45.1 | 0 | 0 | 0 | 109.6 | | |
| 3 | L | 39.9 | Very low | 37.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 65% | 0.654 | 77% | 0.768 | S | S | * | * | | | cis | -157.6 | 145.9 | -2.5 | -121.3 | 166.5 | 0 | 0 | 0 | 109.7 | F5 | L3-F5 HydrophobicContact CD2-CB 4.27Å; L3-F5 HydrophobicContact CD2-CD2 3.69Å; L3-F5 HydrophobicContact CD2-CG 4.46Å |
| 4 | N | 35.3 | Very low | 37 | Very low | 172 Ų | 172 | 136.4 Ų | 136.4 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | | | trans | -142.3 | 136 | 152.8 | -116.1 | -12.8 | 0 | 0 | 0 | 106.8 | | |
| 5 | F | 44.2 | Very low | 36.9 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 71% | 0.711 | 77% | 0.765 | S | S | * | * | | | trans | -125.8 | 105.4 | -159.1 | -155.2 | -103 | 0 | 0 | 0 | 112 | L3 | L3-F5 HydrophobicContact CD2-CB 4.27Å; L3-F5 HydrophobicContact CD2-CD2 3.69Å; L3-F5 HydrophobicContact CD2-CG 4.46Å |
| 6 | Y | 39.1 | Very low | 36.7 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | | | trans | 64.3 | 134.7 | 169.1 | -72.7 | -105.7 | 0 | 0 | 0 | 116.3 | | |
| 7 | S | 38.3 | Very low | 36.4 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | cis | 74.9 | 135.1 | 44.9 | -70.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 8 | D | 37.1 | Very low | 36.3 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | | | cis | -167.1 | 153 | -1.5 | -117.3 | -47 | 0 | 0 | 0 | 111.3 | | |
| 9 | L | 38.8 | Very low | 36 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 60.5 | 163.2 | 152.8 | -56.8 | 169.1 | 0 | 0 | 0 | 117.9 | | |
| 10 | T | 35.6 | Very low | 36.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | cis | -161.7 | 163.8 | -23.8 | -95.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 11 | D | 39.1 | Very low | 36.7 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | | | trans | -19.6 | 141.2 | 162.9 | -150 | -73 | 0 | 0 | 0 | 118 | | |
| 12 | G | 32.5 | Very low | 36.6 | Very low | 75 Ų | 75 | 133.9 Ų | 133.9 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | trans | -178.4 | 121.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 13 | T | 36.1 | Very low | 36.8 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | | | trans | -84.5 | 146.9 | -176.5 | 51.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 14 | G | 32.3 | Very low | 36.5 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 74% | 0.74 | S | S | * | * | | | trans | 81.2 | 178.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 15 | Q | 35.8 | Very low | 36.7 | Very low | 157 Ų | 157 | 130.9 Ų | 130.9 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | cis | -173.8 | 137.3 | -12.5 | 174.6 | 75.1 | 11.2 | 0 | 0 | 107.5 | | |
| 16 | H | 33.5 | Very low | 36.3 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 67% | 0.671 | 74% | 0.74 | S | S | * | * | | | trans | 60.6 | 173.6 | 171.4 | -82.1 | -131.7 | 0 | 0 | 0 | 116.4 | | |
| 17 | D | 32.3 | Very low | 36.1 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | cis | -169.4 | 132.6 | -36.8 | -101.4 | -167.9 | 0 | 0 | 0 | 105.3 | | |
| 18 | A | 34.8 | Very low | 35.9 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | | | trans | 174.9 | 104.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 19 | D | 30.9 | Very low | 36 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | trans | -74.2 | 176.4 | 155.2 | -130.6 | -115 | 0 | 0 | 0 | 109.2 | | |
| 20 | P | 50.9 | Low | 35.6 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 60% | 0.597 | 75% | 0.749 | S | S | * | * | | | cis | -143.8 | 179.5 | 13.3 | 45 | -26.3 | 0 | 0 | 0 | 118.5 | | |
| 21 | E | 34.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 131.9 Ų | 131.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | trans | 64.4 | 135.8 | 160.3 | -71.1 | 176.6 | 94.8 | 0 | 0 | 117.5 | | |
| 22 | F | 32.6 | Very low | 35.2 | Very low | 168 Ų | 168 | 131 Ų | 131 | 74% | 0.737 | 75% | 0.749 | S | S | * | * | | | cis | -159.5 | 137.8 | 36.5 | -168.9 | -122.6 | 0 | 0 | 0 | 113.2 | | |
| 23 | L | 40.2 | Very low | 35.4 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 68% | 0.681 | 74% | 0.743 | S | S | * | * | | | trans | 64.8 | 91.8 | 165.4 | -63.7 | -178.5 | 0 | 0 | 0 | 122.2 | | |
| 24 | D | 33.4 | Very low | 35.2 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | | | | 65.9 | 106.7 | 106.8 | -167.1 | 19.6 | 0 | 0 | 0 | 121.9 | | |
| 25 | P | 39.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 133.5 Ų | 133.5 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | -109.2 | 122.7 | 154.7 | 35.1 | -23 | 0 | 0 | 0 | 112.7 | A27 | P25-A27 PolarHBondContact O-N 3.39Š|
| 26 | H | 36 | Very low | 35.4 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 87% | 0.87 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56 | 125.8 | -179.3 | -114.5 | -79.6 | 0 | 0 | 0 | 113.8 | | |
| 27 | A | 34.8 | Very low | 35.3 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 159.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | P25 | P25-A27 PolarHBondContact O-N 3.39Š|
| 28 | F | 33.5 | Very low | 35.8 | Very low | 183 Ų | 183 | 134 Ų | 134 | 80% | 0.803 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 138.8 | 173.6 | 173.2 | -97.1 | 0 | 0 | 0 | 110.1 | | |
| 29 | N | 40.1 | Very low | 35.7 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | | | trans | 63.6 | 131 | -179.2 | -69.2 | -11 | 0 | 0 | 0 | 118.3 | | |
| 30 | G | 30.2 | Very low | 35.7 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | | | trans | -121 | 121.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 31 | F | 35.2 | Very low | 35 | Very low | 178 Ų | 178 | 130.6 Ų | 130.6 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | | | | 71.9 | 141.6 | 102.5 | -90.9 | -103.9 | 0 | 0 | 0 | 113.6 | | |
| 32 | D | 29.9 | Very low | 35.5 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | cis | -120 | 170.6 | 37.2 | -153.6 | -106.5 | 0 | 0 | 0 | 116.7 | | |
| 33 | S | 38.3 | Very low | 35.9 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | trans | -164 | 126.5 | 179.9 | -72.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 34 | D | 31.3 | Very low | 35.6 | Very low | 141 Ų | 141 | 132.6 Ų | 132.6 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -132.1 | 140.8 | 173.2 | -166 | -100.4 | 0 | 0 | 0 | 112.9 | | |
| 35 | S | 34.1 | Very low | 36.3 | Very low | 103 Ų | 103 | 134 Ų | 134 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | trans | 56.2 | 133.8 | 164.2 | -66.9 | 0 | 0 | 0 | 0 | 121.3 | | |
| 36 | K | 36.8 | Very low | 36.3 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | | | cis | 170.3 | 105.8 | -47.5 | 168.8 | 99.2 | -175.9 | -179.9 | 0 | 109.3 | | |
| 37 | F | 31.6 | Very low | 36.3 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | 67.7 | 176.2 | 153.8 | -74.3 | -121.6 | 0 | 0 | 0 | 117.1 | | |
| 38 | P | 44.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | | -140.1 | 132.1 | -56.7 | 38.9 | -22.1 | 0 | 0 | 0 | 116.1 | | |
| 39 | G | 31.3 | Very low | 36.8 | Very low | 85 Ų | 85 | 128.4 Ų | 128.4 | 88% | 0.876 | 76% | 0.757 | S | S | * | * | | | trans | 61 | -165.2 | 157 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 40 | G | 30.4 | Very low | 36.6 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 88% | 0.876 | 77% | 0.765 | S | S | * | * | | | trans | 105.1 | 116.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 41 | S | 37.4 | Very low | 36.8 | Very low | 107 Ų | 107 | 128.1 Ų | 128.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | | | trans | -71.8 | 151 | 175 | 52.6 | 0 | 0 | 0 | 0 | 114 | | |
| 42 | E | 45.3 | Very low | 37 | Very low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 62.5 | 133 | 141.9 | -70.4 | -61.6 | 132.1 | 0 | 0 | 121.4 | | |
| 43 | N | 40.7 | Very low | 37.8 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | trans | 82.4 | 154 | 145.8 | -101.2 | -89.5 | 0 | 0 | 0 | 122.8 | | |
| 44 | Y | 34.4 | Very low | 37.7 | Very low | 212 Ų | 212 | 133.4 Ų | 133.4 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | | | trans | 85.9 | 131.4 | 164.1 | -107.8 | -97.9 | 0 | 0 | 0 | 123.1 | | |
| 45 | L | 47.5 | Very low | 38 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 80% | 0.801 | 79% | 0.794 | S | S | * | * | | | trans | -78.4 | 135.8 | 176 | -64.7 | 126.8 | 0 | 0 | 0 | 111.7 | | |
| 46 | S | 38.4 | Very low | 38 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -175 | 118.6 | 145 | -85.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 47 | I | 35.8 | Very low | 38.4 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | | | trans | -129.3 | 93.8 | 160.2 | -57.8 | -179.1 | 0 | 0 | 0 | 108.7 | G49 | I47-G49 PolarHBondContact O-N 2.78Š|
| 48 | P | 44.7 | Very low | 39.3 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | trans | -93.5 | 84.2 | 179.7 | 34.8 | -32.1 | 0 | 0 | 0 | 112.5 | | |
| 49 | G | 34.1 | Very low | 39 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 66% | 0.66 | 81% | 0.811 | S | S | * | * | | | trans | 68.9 | -178.3 | 166 | 0 | 0 | 0 | 0 | 0 | 116.6 | I47 | I47-G49 PolarHBondContact O-N 2.78Š|
| 50 | S | 36.4 | Very low | 39.6 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | cis | -164.6 | 125.8 | -18.8 | 42.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 51 | G | 34.4 | Very low | 39.8 | Very low | 67 Ų | 67 | 141.3 Ų | 141.3 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | | | trans | 174.7 | 13.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 52 | H | 39.6 | Very low | 40.2 | Very low | 196 Ų | 196 | 144 Ų | 144 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | trans | -121.1 | 113.3 | 172.7 | -86 | -76.8 | 0 | 0 | 0 | 112.2 | F54 | H52-F54 PolarHBondContact O-N 3.12Š|
| 53 | P | 47.8 | Very low | 40.1 | Very low | 116 Ų | 116 | 142.2 Ų | 142.2 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | trans | -95.8 | 85.2 | -171.1 | 36.1 | -34 | 0 | 0 | 0 | 112.7 | | |
| 54 | F | 35.6 | Very low | 40.2 | Very low | 206 Ų | 206 | 141.5 Ų | 141.5 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | -155.8 | 46.5 | 158.3 | -123.6 | -73.3 | 0 | 0 | 0 | 114.7 | H52 | H52-F54 PolarHBondContact O-N 3.12Š|
| 55 | L | 37.3 | Very low | 40.6 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | | | trans | -123.6 | 100.1 | 162.6 | -71.5 | 177.3 | 0 | 0 | 0 | 109.4 | | |
| 56 | S | 35.1 | Very low | 40.4 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -114.1 | 126.3 | 162.1 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | S58 | S56-S58 PolarHBondContact O-N 3.03Š|
| 57 | S | 43.6 | Very low | 40.3 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | | | trans | -89.7 | 108.5 | -162 | 54.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 58 | S | 51 | Low | 40.9 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | trans | -160.2 | 162.5 | 158.6 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | S56 | S56-S58 PolarHBondContact O-N 3.03Š|
| 59 | E | 37.5 | Very low | 40.9 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | 69.2 | 91 | 173 | -111.4 | 155.7 | 103.7 | 0 | 0 | 117.9 | | |
| 60 | T | 44.8 | Very low | 41.7 | Very low | 112 Ų | 112 | 140 Ų | 140 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | 15.4 | 104.9 | 130.4 | -47.7 | 0 | 0 | 0 | 0 | 117.3 | H62 | T60-H62 PolarHBondContact O-N 2.93Š|
| 61 | F | 33.8 | Very low | 41.9 | Very low | 207 Ų | 207 | 142 Ų | 142 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | | | trans | -69.3 | 108.8 | 155.5 | -99 | -94.2 | 0 | 0 | 0 | 109.5 | T63 | F61-T63 PolarHBondContact O-N 3.49Å; F61-T63 VanDerWaalsContact O-N 3.11Å |
| 62 | H | 45.5 | Very low | 42.7 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | | | trans | -68.8 | 101.4 | 166.2 | -92.7 | -82.3 | 0 | 0 | 0 | 110 | T60 P64 | T60-H62 PolarHBondContact O-N 2.93Å; H62-P64 WeakPolarHBondContact O-CD 3.34Å |
| 63 | T | 43.3 | Very low | 43.2 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | | | trans | -65.7 | 126.7 | 145.2 | 40.7 | 0 | 0 | 0 | 0 | 108 | F61 S65 | F61-T63 PolarHBondContact O-N 3.49Å; F61-T63 VanDerWaalsContact O-N 3.11Å; T63-S65 PolarHBondContact O-N 3.23Å |
| 64 | P | 43.3 | Very low | 43.5 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 101.2 | 168.8 | -14.4 | 29.8 | 0 | 0 | 0 | 108.5 | H62 L66 | H62-P64 WeakPolarHBondContact O-CD 3.34Å; P64-L66 PolarHBondContact O-N 3.31Å |
| 65 | S | 44.2 | Very low | 44.1 | Very low | 83 Ų | 83 | 139.8 Ų | 139.8 | 58% | 0.58 | 77% | 0.774 | S | S | * | * | | | trans | -71.2 | 119.6 | 168.9 | -154.6 | 0 | 0 | 0 | 0 | 108.8 | T63 D68 | T63-S65 PolarHBondContact O-N 3.23Å; S65-D68 PolarHBondContact OG-OD1 3.06Å |
| 66 | L | 42.8 | Very low | 44.4 | Very low | 177 Ų | 177 | 138.3 Ų | 138.3 | 93% | 0.927 | 77% | 0.765 | S | S | * | * | | | trans | -142.1 | 100.1 | 168.9 | -96.4 | 173 | 0 | 0 | 0 | 106.6 | P64 | P64-L66 PolarHBondContact O-N 3.31Š|
| 67 | G | 35.8 | Very low | 44.6 | Very low | 58 Ų | 58 | 138.3 Ų | 138.3 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | | | cis | -164.8 | 127.8 | -8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E69 | G67-E69 PolarHBondContact O-N 2.9Š|
| 68 | D | 48.3 | Very low | 44.3 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | | | trans | -76.2 | 54.9 | 179.8 | 35.2 | -59.2 | 0 | 0 | 0 | 112.2 | S65 E70 | S65-D68 PolarHBondContact OG-OD1 3.06Å; D68-E70 PolarHBondContact O-N 2.87Å |
| 69 | E | 45.3 | Very low | 43.8 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | -76.9 | 99.6 | 164.7 | -82.7 | -165.9 | 91.4 | 0 | 0 | 110.2 | G67 F71 | G67-E69 PolarHBondContact O-N 2.9Å; E69-F71 HydrophobicContact CB-CD2 4.48Å; E69-F71 PolarHBondContact O-N 3.15Å |
| 70 | E | 50.6 | Low | 44.4 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | -61.4 | 88.1 | 169.6 | -177.4 | 167.8 | -127.9 | 0 | 0 | 111 | D68 E72 | D68-E70 PolarHBondContact O-N 2.87Å; E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.02Å |
| 71 | F | 39.5 | Very low | 43.8 | Very low | 169 Ų | 169 | 142.2 Ų | 142.2 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -73.7 | 87.6 | 163.6 | -90.6 | -92.9 | 0 | 0 | 0 | 109.6 | E69 I73 | E69-F71 HydrophobicContact CB-CD2 4.48Å; E69-F71 PolarHBondContact O-N 3.15Å; F71-I73 PolarHBondContact O-N 3.1Å |
| 72 | E | 52.9 | Low | 44.4 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | | | trans | -52.9 | 107.1 | 155.1 | -75.8 | -165.9 | 118.2 | 0 | 0 | 108.1 | E70 P74 | E70-E72 VanDerWaalsContact C-N 3.31Å; E70-E72 PolarHBondContact O-N 3.02Å; E72-P74 WeakPolarHBondContact O-CD 3.43Å |
| 73 | I | 49.9 | Very low | 44.1 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | trans | -70.9 | 113 | 176.2 | -58.2 | 175.4 | 0 | 0 | 0 | 107.3 | F71 | F71-I73 PolarHBondContact O-N 3.1Š|
| 74 | P | 52.5 | Low | 43.9 | Very low | 99 Ų | 99 | 136.3 Ų | 136.3 | 64% | 0.643 | 78% | 0.775 | S | S | * | * | | | trans | -65.1 | 141.7 | 177.2 | -17.3 | 32.9 | 0 | 0 | 0 | 109.1 | E72 I76 | E72-P74 WeakPolarHBondContact O-CD 3.43Å; P74-I76 PolarHBondContact O-N 2.61Å; P74-I76 VanDerWaalsContact O-N 3.13Å |
| 75 | P | 49.7 | Very low | 43.8 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | | | trans | -59.2 | 122 | -179.2 | 23.8 | -33.3 | 0 | 0 | 0 | 110.2 | S77 | P75-S77 PolarHBondContact O-N 2.81Š|
| 76 | I | 42.5 | Very low | 43.8 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -66.8 | 99 | 178.6 | 42.6 | 166.8 | 0 | 0 | 0 | 110.6 | P74 L78 | P74-I76 PolarHBondContact O-N 2.61Å; P74-I76 VanDerWaalsContact O-N 3.13Å; I76-L78 PolarHBondContact O-N 3.33Å; I76-L78 VanDerWaalsContact O-N 3.12Å |
| 77 | S | 39.3 | Very low | 44.1 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | trans | -60.7 | 113.1 | 164.6 | -68.9 | 0 | 0 | 0 | 0 | 109.4 | P75 D79 | P75-S77 PolarHBondContact O-N 2.81Å; S77-D79 PolarHBondContact O-N 3.12Å |
| 78 | L | 37 | Very low | 44.5 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | | | trans | -72.8 | 116.6 | 165.1 | -66 | 170.8 | 0 | 0 | 0 | 108.4 | I76 | I76-L78 PolarHBondContact O-N 3.33Å; I76-L78 VanDerWaalsContact O-N 3.12Å |
| 79 | D | 40.8 | Very low | 44.4 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | | | trans | -126.3 | 114.9 | 164.6 | -142.5 | -50.6 | 0 | 0 | 0 | 107.4 | S77 | S77-D79 PolarHBondContact O-N 3.12Š|
| 80 | P | 49.8 | Very low | 44.4 | Very low | 116 Ų | 116 | 140.4 Ų | 140.4 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -91.6 | 108.9 | -167.8 | 33.4 | -32.1 | 0 | 0 | 0 | 111.8 | | |
| 81 | D | 32.7 | Very low | 43.8 | Very low | 165 Ų | 165 | 137 Ų | 137 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -115.6 | 139.7 | 166.5 | -146.5 | -21.7 | 0 | 0 | 0 | 112.3 | | |
| 82 | S | 46.2 | Very low | 44 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | | | trans | -102.1 | 116.6 | -154.2 | -63.3 | 0 | 0 | 0 | 0 | 113 | | |
| 83 | A | 39.7 | Very low | 43.3 | Very low | 90 Ų | 90 | 140.4 Ų | 140.4 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | | | trans | -154.8 | 137.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 84 | L | 38.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 81% | 0.813 | S | S | * | * | | | trans | 66.9 | 67.2 | 161.7 | -47.1 | -174.1 | 0 | 0 | 0 | 117.6 | | |
| 85 | T | 42.2 | Very low | 41.7 | Very low | 139 Ų | 139 | 140.2 Ų | 140.2 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -66.1 | 145 | 153.7 | 44.5 | 0 | 0 | 0 | 0 | 111.1 | S87 | T85-S87 PolarHBondContact O-N 3.27Š|
| 86 | V | 44.8 | Very low | 41 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -88 | 91.1 | -178.1 | -78.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 87 | S | 49.2 | Very low | 40.6 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | | | trans | -145.6 | 39.5 | 178.7 | -169.9 | 0 | 0 | 0 | 0 | 114.4 | T85 | T85-S87 PolarHBondContact O-N 3.27Š|
| 88 | D | 43.3 | Very low | 40.3 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 83% | 0.828 | S | S | * | * | | | trans | -145.3 | 58.1 | 179.3 | -150.1 | -21.8 | 0 | 0 | 0 | 113.6 | | |
| 89 | V | 45.7 | Very low | 40.2 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 87% | 0.873 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -131.7 | 6.4 | 176.2 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 90 | V | 45 | Very low | 39.7 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -132.6 | 53.8 | 177 | -162.4 | 0 | 0 | 0 | 0 | 112 | | |
| 91 | S | 38.9 | Very low | 38.9 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 75% | 0.748 | 82% | 0.823 | S | S | * | * | | | trans | -160.2 | 63.6 | 162.8 | -83.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 92 | H | 43.4 | Very low | 39 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | | | trans | -133.7 | 33.6 | 172.4 | -148.1 | -60.7 | 0 | 0 | 0 | 114.1 | | |
| 93 | F | 38.3 | Very low | 38.4 | Very low | 219 Ų | 219 | 133.9 Ų | 133.9 | 96% | 0.961 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -133.8 | 59.3 | 163.9 | -152.2 | -88.6 | 0 | 0 | 0 | 110 | | |
| 94 | G | 36.4 | Very low | 38.1 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -146.7 | 100.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 95 | E | 32.2 | Very low | 37.9 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | 39.8 | 115.1 | 155.8 | -144.3 | 98.7 | 108.6 | 0 | 0 | 119.9 | S97 | E95-S97 PolarHBondContact O-N 3.04Š|
| 96 | L | 34.8 | Very low | 37.4 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | | | trans | -73.9 | 105.1 | 155.7 | -78.9 | 166.3 | 0 | 0 | 0 | 109.2 | | |
| 97 | S | 34.2 | Very low | 37 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | | | trans | -150 | 113.4 | 166.1 | -83.9 | 0 | 0 | 0 | 0 | 113.9 | E95 | E95-S97 PolarHBondContact O-N 3.04Š|
| 98 | D | 33.2 | Very low | 37.1 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -1.5 | 136.3 | 168.5 | -150.9 | -145.7 | 0 | 0 | 0 | 123.8 | | |
| 99 | A | 34.5 | Very low | 36.5 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 65% | 0.653 | 81% | 0.806 | S | S | * | * | | | trans | 51.7 | 95.4 | 142.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 100 | G | 30.8 | Very low | 35.9 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | | | | 86.9 | 163.1 | 112.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 101 | G | 32.6 | Very low | 35.2 | Very low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | 120.7 | 68.2 | 164 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 102 | S | 35.3 | Very low | 34.8 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | | | trans | 15.8 | 143.8 | 146 | 58.9 | 0 | 0 | 0 | 0 | 123.5 | | |
| 103 | D | 33.7 | Very low | 34.3 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | | | trans | 82.2 | 155 | 154.9 | -119.6 | -105.3 | 0 | 0 | 0 | 118.2 | | |
| 104 | G | 33.2 | Very low | 33.9 | Very low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | | | trans | -144.9 | -126.6 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 105 | V | 33.3 | Very low | 33.6 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | | | trans | 91.3 | 98 | 171.4 | -178.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 106 | V | 32.2 | Very low | 33.5 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | | | | 92.6 | 109.3 | 129.2 | 161.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 107 | V | 36.9 | Very low | 33.3 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | 84 | 147.2 | 131 | 165.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 108 | P | 51.5 | Low | 34.1 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | -122.3 | -173 | -142 | 44.3 | -32.1 | 0 | 0 | 0 | 115.4 | | |
| 109 | G | 31.4 | Very low | 34 | Very low | 71 Ų | 71 | 115.6 Ų | 115.6 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | | | trans | -164.9 | 138.4 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 110 | N | 31.3 | Very low | 33.7 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | | | trans | -69.4 | 138.7 | -170.7 | -68.1 | 2.5 | 0 | 0 | 0 | 116.1 | | |
| 111 | A | 31.3 | Very low | 33.6 | Very low | 88 Ų | 88 | 120.7 Ų | 120.7 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | | 64.4 | 146.8 | 124.8 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 112 | V | 29.3 | Very low | 33.8 | Very low | 136 Ų | 136 | 121.7 Ų | 121.7 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | trans | 94.7 | 146.7 | 135.9 | 105.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 113 | V | 34.4 | Very low | 34.5 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | | | trans | 71 | 105.7 | 163.2 | 168.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 114 | E | 28.8 | Very low | 34.4 | Very low | 191 Ų | 191 | 124.2 Ų | 124.2 | 89% | 0.893 | 77% | 0.766 | S | S | * | * | | | | 44.1 | 140.9 | 110.6 | -146.2 | -178 | 128.6 | 0 | 0 | 120.9 | | |
| 115 | G | 30.1 | Very low | 34.6 | Very low | 67 Ų | 67 | 127.5 Ų | 127.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | 144.5 | 113.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 116 | D | 30.9 | Very low | 34.4 | Very low | 166 Ų | 166 | 125 Ų | 125 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | 47.8 | 123.4 | 142.6 | -87.3 | -137.4 | 0 | 0 | 0 | 123.6 | | |
| 117 | D | 30.8 | Very low | 34.4 | Very low | 138 Ų | 138 | 123.8 Ų | 123.8 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | | | trans | -44.7 | 149.2 | 139.7 | -148.4 | -104.4 | 0 | 0 | 0 | 108.8 | | |
| 118 | P | 49.9 | Very low | 34.9 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | | | | -163.9 | 176.1 | 54.8 | 46.6 | -24.5 | 0 | 0 | 0 | 121.2 | | |
| 119 | S | 32.2 | Very low | 34.3 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | | | trans | 81.5 | 133.9 | 136.8 | -146.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 120 | F | 28.8 | Very low | 34.5 | Very low | 196 Ų | 196 | 127.9 Ų | 127.9 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 105.7 | 129.3 | 130.2 | -131.7 | -113.5 | 0 | 0 | 0 | 121.2 | | |
| 121 | A | 28.1 | Very low | 34.5 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | 56.4 | 109.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 122 | A | 36.9 | Very low | 34.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -69.9 | 161.4 | 135.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 123 | P | 49 | Very low | 34.7 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | | -155.7 | 157.1 | 103.4 | 40.9 | -23.6 | 0 | 0 | 0 | 118.5 | | |
| 124 | Y | 33.3 | Very low | 34.4 | Very low | 219 Ų | 219 | 129.7 Ų | 129.7 | 86% | 0.859 | 77% | 0.774 | S | S | * | * | | | trans | 77.9 | 127.8 | 134.8 | -94.5 | -136.8 | 0 | 0 | 0 | 124.9 | | |
| 125 | V | 37.1 | Very low | 34.6 | Very low | 135 Ų | 135 | 127.4 Ų | 127.4 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 82.5 | 130.6 | 134.8 | 168 | 0 | 0 | 0 | 0 | 121.3 | | |
| 126 | G | 27.9 | Very low | 34.4 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 155 | 101.6 | 150.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 127 | A | 33.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -129.1 | 156.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 128 | P | 47.7 | Very low | 34.3 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | | | | -157.7 | 133.8 | 109.6 | 36.9 | -16.7 | 0 | 0 | 0 | 119 | | |
| 129 | S | 38.4 | Very low | 33.5 | Very low | 103 Ų | 103 | 128.7 Ų | 128.7 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 55.5 | 162.5 | 130 | 74.9 | 0 | 0 | 0 | 0 | 126.3 | | |
| 130 | Q | 35.5 | Very low | 33.7 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | | | trans | 86.3 | 139.1 | 169.3 | -49.1 | -172.9 | 29.3 | 0 | 0 | 117.6 | | |
| 131 | G | 30.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | cis | 172.9 | -178.7 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 132 | L | 32.9 | Very low | 34 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | 83.8 | 167.3 | 167.9 | -127.4 | 84.2 | 0 | 0 | 0 | 121.3 | | |
| 133 | E | 31.8 | Very low | 33.8 | Very low | 152 Ų | 152 | 135.9 Ų | 135.9 | 71% | 0.71 | 80% | 0.795 | S | S | * | * | | | trans | -138.4 | 174.7 | -147.5 | 61.6 | -99 | -3.3 | 0 | 0 | 119.2 | | |
| 134 | H | 29.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | 119.5 | 85.8 | 137.7 | -157.5 | -77.5 | 0 | 0 | 0 | 122.7 | | |
| 135 | L | 31.4 | Very low | 32.7 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | | | | 50.2 | 135.6 | 121.3 | -83.9 | 171.3 | 0 | 0 | 0 | 125.8 | | |
| 136 | T | 26.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 69% | 0.687 | 80% | 0.797 | S | S | * | * | | | trans | 111.3 | 100.4 | 136.7 | -59.4 | 0 | 0 | 0 | 0 | 122 | | |
| 137 | L | 32 | Very low | 32.4 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | | | trans | 24.1 | 144 | 130.8 | -72.3 | 156.6 | 0 | 0 | 0 | 124.1 | | |
| 138 | G | 28.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 130.6 Ų | 130.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -170.5 | 118.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 139 | V | 31.9 | Very low | 32.1 | Very low | 145 Ų | 145 | 132.9 Ų | 132.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -146 | 138.7 | 175.9 | 91.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 140 | M | 35.7 | Very low | 31.5 | Very low | 186 Ų | 186 | 131 Ų | 131 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -173.3 | 162.6 | -178.1 | 49.9 | 176.7 | 168.7 | 0 | 0 | 111.6 | | |
| 141 | N | 30.8 | Very low | 31.3 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | cis | -167.4 | 106.1 | -41.3 | 177.5 | 37.9 | 0 | 0 | 0 | 111.2 | | |
| 142 | Q | 34.2 | Very low | 31.3 | Very low | 169 Ų | 169 | 129.3 Ų | 129.3 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | 55.3 | 169.7 | 150.5 | -74.8 | -168.7 | 93.6 | 0 | 0 | 124.3 | | |
| 143 | S | 31 | Very low | 31.5 | Very low | 126 Ų | 126 | 129.4 Ų | 129.4 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | | | trans | 77 | 146.9 | 170.6 | 76 | 0 | 0 | 0 | 0 | 116.9 | | |
| 144 | G | 29.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 125.3 Ų | 125.3 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | | | cis | -162.4 | -177.7 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 145 | G | 31 | Very low | 32.1 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -146.3 | -164.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 146 | S | 27 | Very low | 31.9 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 105.8 | 92.2 | 170.8 | -50.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 147 | A | 31.4 | Very low | 32.2 | Very low | 91 Ų | 91 | 129.1 Ų | 129.1 | 75% | 0.752 | 81% | 0.814 | S | S | * | * | | | | 67.3 | 153.7 | 111 | 0 | 0 | 0 | 0 | 0 | 125 | | |
| 148 | L | 35 | Very low | 32 | Very low | 162 Ų | 162 | 124.3 Ų | 124.3 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | 78.6 | 136.1 | 168.2 | -48.2 | -175.4 | 0 | 0 | 0 | 115.8 | | |
| 149 | L | 38.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | cis | -133.5 | 179.4 | 11.6 | -68.7 | 167 | 0 | 0 | 0 | 110.6 | | |
| 150 | G | 26.6 | Very low | 33 | Very low | 63 Ų | 63 | 127.3 Ų | 127.3 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | cis | 141 | 135.1 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 151 | S | 32.5 | Very low | 33 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 94% | 0.937 | 80% | 0.797 | S | S | * | * | | | trans | 72 | 150.2 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 152 | S | 29 | Very low | 32.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | | | cis | -166.2 | 136.3 | -19.4 | -177.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 153 | L | 38.2 | Very low | 33 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | | | | -163.9 | 149.3 | 77 | -74.4 | 159.3 | 0 | 0 | 0 | 107 | | |
| 154 | G | 31.7 | Very low | 33.1 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | | 70.1 | 120.8 | 75 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 155 | M | 41.1 | Very low | 33.1 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | | | cis | -161.1 | 154 | 17.9 | -89.3 | 172.9 | 177.7 | 0 | 0 | 108.7 | | |
| 156 | D | 27.7 | Very low | 33 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | cis | -156.7 | -146 | -11.5 | -146.8 | 83.4 | 0 | 0 | 0 | 111.4 | | |
| 157 | L | 32.3 | Very low | 33.1 | Very low | 158 Ų | 158 | 130 Ų | 130 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -129 | 148 | -159.1 | -174.1 | 69.1 | 0 | 0 | 0 | 114.7 | | |
| 158 | G | 28.6 | Very low | 33 | Very low | 69 Ų | 69 | 130.8 Ų | 130.8 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 175.7 | 90.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 159 | H | 31.6 | Very low | 32.8 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 83% | 0.829 | 79% | 0.791 | S | S | * | * | | | trans | -106.2 | -173.3 | 161.1 | -55.6 | -41.1 | 0 | 0 | 0 | 109.1 | | |
| 160 | P | 50.3 | Low | 33 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | cis | -138.1 | -179.3 | -6.1 | 40.2 | -21.5 | 0 | 0 | 0 | 115.8 | | |
| 161 | I | 35.3 | Very low | 33.4 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | | | trans | 59.6 | 128.4 | 148.1 | -71 | 156.8 | 0 | 0 | 0 | 119.8 | | |
| 162 | G | 28.1 | Very low | 33.7 | Very low | 72 Ų | 72 | 130.3 Ų | 130.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 156.5 | 111 | 158 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 163 | S | 37.1 | Very low | 34 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | -91.8 | 134.1 | 169 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 164 | Q | 32.8 | Very low | 33.7 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -178.9 | 134.9 | 150.5 | 48.2 | -156.7 | -34 | 0 | 0 | 115.9 | | |
| 165 | F | 28.5 | Very low | 33.9 | Very low | 185 Ų | 185 | 135.2 Ų | 135.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | 66.8 | 141 | 153.9 | -60.6 | -57 | 0 | 0 | 0 | 124.7 | | |
| 166 | S | 28.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | 65.8 | 105.7 | 149.2 | -60.6 | 0 | 0 | 0 | 0 | 121 | | |
| 167 | S | 29 | Very low | 34.2 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | -103 | 146.8 | 146.1 | -173.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 168 | S | 30.6 | Very low | 34.3 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -127.4 | 154.6 | -174.3 | -63.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 169 | S | 31.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 158 | -164.2 | -53.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 170 | P | 41.4 | Very low | 34.9 | Very low | 130 Ų | 130 | 131.4 Ų | 131.4 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 172 | 163.5 | 33.3 | -36.4 | 0 | 0 | 0 | 112.6 | | |
| 171 | V | 36.3 | Very low | 34.1 | Very low | 140 Ų | 140 | 130 Ų | 130 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -100 | 139.9 | -165.8 | 179 | 0 | 0 | 0 | 0 | 112.6 | | |
| 172 | T | 37.7 | Very low | 34.1 | Very low | 133 Ų | 133 | 131.7 Ų | 131.7 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.6 | 156.7 | 168.6 | 35.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 173 | I | 36.7 | Very low | 34.2 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -106.4 | 137.8 | 175.6 | -64.2 | 173 | 0 | 0 | 0 | 108.7 | | |
| 174 | D | 31.4 | Very low | 34.3 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -109.1 | 144.9 | -176.8 | -166.5 | -79.2 | 0 | 0 | 0 | 111.2 | | |
| 175 | V | 34.7 | Very low | 34.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 82% | 0.816 | S | S | * | * | | | trans | -140.3 | 112.1 | 172 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 176 | P | 40.6 | Very low | 35 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | | | trans | -92.4 | 139.6 | -168.8 | 33.7 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 177 | L | 35.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -118.8 | 124.6 | 156.2 | -100.5 | 74.3 | 0 | 0 | 0 | 109.2 | | |
| 178 | G | 34.4 | Very low | 35.7 | Very low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -103.5 | 178.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 179 | D | 31.3 | Very low | 35.9 | Very low | 136 Ų | 136 | 134 Ų | 134 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | cis | -161.7 | -179.6 | -1.4 | 175.5 | -140.6 | 0 | 0 | 0 | 107 | | |
| 180 | M | 41.3 | Very low | 36.1 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 84% | 0.837 | 82% | 0.817 | S | S | * | * | | | trans | 77.1 | 132.5 | 167.4 | -43.8 | 162.2 | -155.3 | 0 | 0 | 114.7 | | |
| 181 | G | 33.4 | Very low | 35.9 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | | | cis | -158.9 | -179 | 0.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 182 | Q | 34.5 | Very low | 35.8 | Very low | 208 Ų | 208 | 136.9 Ų | 136.9 | 97% | 0.972 | 82% | 0.817 | S | S | * | * | | | trans | -107.2 | 151.6 | -157.4 | -62.1 | 174.1 | -13.6 | 0 | 0 | 116.3 | | |
| 183 | G | 31.4 | Very low | 35.9 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | | | trans | 149.7 | 131.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 184 | L | 39.8 | Very low | 35.8 | Very low | 177 Ų | 177 | 136.7 Ų | 136.7 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | | | cis | -139.1 | 177.5 | 6.1 | -95.2 | 165.1 | 0 | 0 | 0 | 111.5 | | |
| 185 | L | 42.1 | Very low | 36.5 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -73.2 | 140.3 | -170.9 | -61.8 | 162.3 | 0 | 0 | 0 | 114 | | |
| 186 | G | 32.7 | Very low | 37.1 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -171.7 | 103.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 187 | S | 38.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 141.9 Ų | 141.9 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | | | trans | -106.5 | 136.3 | -165.8 | 58 | 0 | 0 | 0 | 0 | 114.9 | | |
| 188 | N | 33.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 83% | 0.826 | S | S | * | * | | | trans | 59.6 | 123.7 | 154.1 | -56.7 | -24.5 | 0 | 0 | 0 | 118.8 | | |
| 189 | Q | 36.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | | | | -177.9 | 148.7 | 93.6 | -86.3 | -66.7 | 77.1 | 0 | 0 | 109.7 | | |
| 190 | L | 34.4 | Very low | 37.9 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 88% | 0.88 | 83% | 0.828 | S | S | * | * | | | trans | -84.6 | 142.5 | 172.7 | -84.4 | 69.9 | 0 | 0 | 0 | 111.1 | | |
| 191 | T | 36.5 | Very low | 37.6 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 85% | 0.847 | 83% | 0.829 | S | S | * | * | | | trans | -141.6 | 144.1 | 151 | -15.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 192 | T | 35.3 | Very low | 37.8 | Very low | 136 Ų | 136 | 147.7 Ų | 147.7 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | | | trans | -79.2 | 143.3 | -178.2 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 193 | I | 40.1 | Very low | 37.8 | Very low | 173 Ų | 173 | 141.2 Ų | 141.2 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | | | trans | -118.1 | 144.2 | 162.5 | -79.2 | 176.9 | 0 | 0 | 0 | 109.2 | | |
| 194 | D | 34.3 | Very low | 38.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 65% | 0.652 | 84% | 0.835 | S | S | * | * | | | trans | -99.9 | 148.8 | -166.7 | -172 | -89.7 | 0 | 0 | 0 | 112.1 | S196 | D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.78Å; D194-S196 PolarHBondContact OD1-OG 3.23Å |
| 195 | Q | 44.6 | Very low | 38.1 | Very low | 204 Ų | 204 | 141 Ų | 141 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -82.7 | 49.2 | -177.3 | -77.5 | -166.5 | 89.6 | 0 | 0 | 113.4 | | |
| 196 | S | 47.9 | Very low | 38 | Very low | 98 Ų | 98 | 141.6 Ų | 141.6 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | | | trans | -129.2 | 17 | -173.4 | -57.9 | 0 | 0 | 0 | 0 | 115.8 | D194 | D194-S196 PolarHBondContact O-N 3.46Å; D194-S196 WeakPolarHBondContact OD1-CB 3.44Å; D194-S196 PolarHBondContact OD1-N 2.78Å; D194-S196 PolarHBondContact OD1-OG 3.23Å |
| 197 | E | 42.6 | Very low | 38 | Very low | 178 Ų | 178 | 141.7 Ų | 141.7 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | -139.2 | 76.2 | -179.6 | -162.3 | 170.9 | 104.3 | 0 | 0 | 113.9 | | |
| 198 | L | 40.8 | Very low | 37.7 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 94% | 0.937 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -147 | 29.8 | 163.2 | -141.7 | 103.7 | 0 | 0 | 0 | 114.5 | | |
| 199 | S | 38.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -134.2 | 36.4 | -179.5 | 64.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 200 | A | 37.5 | Very low | 37.3 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 83% | 0.832 | S | S | * | * | | | trans | -143.8 | 27.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 201 | Q | 35.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -132.6 | 53.7 | 179.9 | -164.1 | 59.5 | 55.1 | 0 | 0 | 114.1 | | |
| 202 | L | 36.9 | Very low | 37 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | | | trans | -157.9 | 62.6 | 154.3 | -107 | -177.1 | 0 | 0 | 0 | 110 | | |
| 203 | G | 34.9 | Very low | 36.7 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 82% | 0.823 | S | S | * | * | | | trans | -90.7 | 118.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 204 | L | 41.5 | Very low | 36.1 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 95% | 0.953 | 82% | 0.822 | S | S | * | * | | | trans | -133.2 | 114.8 | 146.7 | -74.6 | -179.2 | 0 | 0 | 0 | 107.7 | | |
| 205 | G | 34.8 | Very low | 36.6 | Very low | 65 Ų | 65 | 140.3 Ų | 140.3 | 67% | 0.67 | 82% | 0.823 | S | S | * | * | | | trans | -111.9 | -152.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 206 | L | 40.6 | Very low | 35.8 | Very low | 187 Ų | 187 | 139.3 Ų | 139.3 | 98% | 0.979 | 82% | 0.819 | S | S | * | * | | | trans | 78.9 | 122.1 | -164.6 | -49.4 | 166 | 0 | 0 | 0 | 111.3 | | |
| 207 | G | 32 | Very low | 35 | Very low | 83 Ų | 83 | 140 Ų | 140 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | | | cis | 129.1 | 149.3 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 208 | G | 34.4 | Very low | 35.1 | Very low | 82 Ų | 82 | 137.1 Ų | 137.1 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | cis | 167.5 | 134 | -5.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 209 | G | 31.4 | Very low | 34.5 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | | | trans | 93.4 | 164.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 210 | N | 29.8 | Very low | 34.1 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | cis | -162.1 | 161.5 | 1.1 | -130.8 | 3.3 | 0 | 0 | 0 | 113.5 | | |
| 211 | M | 30.9 | Very low | 34.7 | Very low | 149 Ų | 149 | 139 Ų | 139 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | | | trans | 79.3 | 120.7 | 155.8 | -60.7 | -97.7 | -83.1 | 0 | 0 | 122.2 | | |
| 212 | L | 33 | Very low | 34.5 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | | | trans | 52.8 | 111.9 | 135.9 | -62.8 | 170.6 | 0 | 0 | 0 | 121.8 | | |
| 213 | Q | 27.8 | Very low | 34.2 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | | 177.3 | 164.8 | 102.1 | -94.9 | -177.7 | 23.5 | 0 | 0 | 114.4 | | |
| 214 | R | 29.3 | Very low | 34 | Very low | 234 Ų | 234 | 136.7 Ų | 136.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -145.4 | 129.3 | 166.7 | 166.2 | -179.7 | -90.4 | -177.5 | -4.5 | 104.6 | | |
| 215 | P | 45.2 | Very low | 33.4 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | | | | -149.5 | -169.6 | 73.4 | 38.5 | -16.9 | 0 | 0 | 0 | 116.7 | | |
| 216 | Q | 27.7 | Very low | 33.2 | Very low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | 87 | 115.1 | 164.1 | -63.9 | 177.5 | -11.2 | 0 | 0 | 119.4 | | |
| 217 | S | 29.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -90.4 | 172.5 | 144.8 | -58.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 218 | P | 45.4 | Very low | 33.1 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | cis | -129.6 | -155.6 | 19.7 | 30.5 | -2.8 | 0 | 0 | 0 | 111.7 | | |
| 219 | E | 28.8 | Very low | 33.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | cis | -145.1 | 160.9 | 17.1 | -73.6 | -173 | 44.9 | 0 | 0 | 114.6 | | |
| 220 | N | 29.1 | Very low | 33.8 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | | | trans | 60.5 | 150.7 | 154.9 | -90 | -5.2 | 0 | 0 | 0 | 123.5 | | |
| 221 | P | 50.3 | Low | 34.2 | Very low | 107 Ų | 107 | 137.3 Ų | 137.3 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | -109.7 | 153.9 | -179.6 | 40.6 | -31.2 | 0 | 0 | 0 | 114.2 | | |
| 222 | L | 31.9 | Very low | 34.9 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 94% | 0.937 | 80% | 0.804 | S | S | * | * | | | trans | -137 | 164.4 | 157.8 | -77.5 | 179.4 | 0 | 0 | 0 | 110.5 | | |
| 223 | S | 29 | Very low | 35.4 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | trans | -117.7 | 165.6 | -148.4 | -59.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 224 | A | 31.6 | Very low | 35.8 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | 62.9 | 110.5 | 149 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 225 | T | 29.1 | Very low | 36.5 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | | | trans | -96.2 | 134.2 | 138.3 | 53.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 226 | A | 31.4 | Very low | 36.7 | Very low | 97 Ų | 97 | 128.7 Ų | 128.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -111.8 | 126.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 227 | S | 29.8 | Very low | 37.7 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | trans | -80.7 | 136 | 176.6 | -54.7 | 0 | 0 | 0 | 0 | 111 | T229 | S227-T229 PolarHBondContact O-N 3.03Å; S227-T229 VanDerWaalsContact O-N 3.08Å |
| 228 | P | 38.7 | Very low | 38.7 | Very low | 135 Ų | 135 | 124.2 Ų | 124.2 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | | | trans | -74.9 | 100.3 | 177.9 | 29.8 | -33.6 | 0 | 0 | 0 | 110.9 | | |
| 229 | T | 39.8 | Very low | 39.1 | Very low | 128 Ų | 128 | 121 Ų | 121 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -146.2 | 78.5 | 173.7 | 156.7 | 0 | 0 | 0 | 0 | 110.6 | S227 | S227-T229 PolarHBondContact O-N 3.03Å; S227-T229 VanDerWaalsContact O-N 3.08Å |
| 230 | S | 41.4 | Very low | 40.5 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | | | trans | -164.4 | 103.4 | 157.8 | -170.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 231 | S | 38.9 | Very low | 41.9 | Very low | 121 Ų | 121 | 117.4 Ų | 117.4 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -164.9 | 36.4 | 167.3 | -157.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 232 | L | 45.2 | Very low | 42.1 | Very low | 155 Ų | 155 | 120.2 Ų | 120.2 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -151 | 20.9 | -174 | -124.4 | 178.5 | 0 | 0 | 0 | 113.6 | | |
| 233 | Q | 43.4 | Very low | 43.1 | Very low | 153 Ų | 153 | 113.9 Ų | 113.9 | 72% | 0.715 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -126 | -0.2 | -171.6 | -160.8 | 159.3 | 15.9 | 0 | 0 | 113.7 | | |
| 234 | D | 36.6 | Very low | 44.3 | Very low | 131 Ų | 131 | 111.2 Ų | 111.2 | 70% | 0.701 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -85.8 | -50 | 177.3 | -158.2 | -127.2 | 0 | 0 | 0 | 111 | D236 M237 D238 | D234-D236 VanDerWaalsContact C-N 3.27Å; D234-D236 PolarHBondContact O-N 3.16Å; D234-D236 VanDerWaalsContact O-N 3.12Å; D234-M237 VanDerWaalsContact O-CB 3.25Å; D234-M237 WeakPolarHBondContact O-CB 3.47Å; D234-M237 PolarHBondContact O-N 3.35Å; D234-D238 PolarHBondContact O-N 2.86Å |
| 235 | D | 42.7 | Very low | 45.1 | Very low | 124 Ų | 124 | 113.9 Ų | 113.9 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -53.5 | -35.7 | -178.3 | -61.7 | -101.5 | 0 | 0 | 0 | 115 | M237 D238 D239 | D235-M237 VanDerWaalsContact C-N 3.34Å; D235-D238 PolarHBondContact O-N 3.38Å; D235-D239 PolarHBondContact O-N 2.69Å |
| 236 | D | 50.6 | Low | 45.8 | Very low | 74 Ų | 74 | 110.6 Ų | 110.6 | 40% | 0.396 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.3 | -32 | -178.3 | -157.9 | -107.8 | 0 | 0 | 0 | 111.9 | D234 D238 F240 S311 | D234-D236 VanDerWaalsContact C-N 3.27Å; D234-D236 PolarHBondContact O-N 3.16Å; D234-D236 VanDerWaalsContact O-N 3.12Å; D236-D238 VanDerWaalsContact C-N 3.35Å; D236-F240 PolarHBondContact O-N 2.89Å; D236-S311 VanDerWaalsContact CG-OG 3.24Å; D236-S311 PolarHBondContact OD1-OG 3.49Å; D236-S311 VanDerWaalsContact OD1-OG 3.11Å; D236-S311 WeakPolarHBondContact OD2-CB 3.16Å; D236-S311 PolarHBondContact OD2-OG 3.23Å |
| 237 | M | 47.8 | Very low | 46.2 | Very low | 123 Ų | 123 | 113.8 Ų | 113.8 | 61% | 0.606 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66 | -38.9 | 177.2 | -161.2 | 81.7 | 71.3 | 0 | 0 | 111 | D234 D235 R241 | D234-M237 VanDerWaalsContact O-CB 3.25Å; D234-M237 WeakPolarHBondContact O-CB 3.47Å; D234-M237 PolarHBondContact O-N 3.35Å; D235-M237 VanDerWaalsContact C-N 3.34Å; M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.5Å; M237-R241 VanDerWaalsContact O-N 3.17Å |
| 238 | D | 50.4 | Low | 46.3 | Very low | 78 Ų | 78 | 114.5 Ų | 114.5 | 42% | 0.417 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.8 | -36.1 | -177.7 | -134.1 | -89 | 0 | 0 | 0 | 112.4 | D234 D235 D236 R241 R242 | D234-D238 PolarHBondContact O-N 2.86Å; D235-D238 PolarHBondContact O-N 3.38Å; D236-D238 VanDerWaalsContact C-N 3.35Å; D238-R241 PolarHBondContact O-N 2.76Å; D238-R242 WeakPolarHBondContact O-CD 3.3Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.37Å; D238-R242 PolarHBondContact O-N 2.79Å; D238-R242 IonicContact OD1-CZ 2.64Å; D238-R242 IonicContact OD1-NE 2.65Å; D238-R242 PolarHBondContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.36Å; D238-R242 PolarHBondContact OD1-NH2 2.89Å |
| 239 | D | 54.4 | Low | 46.9 | Very low | 51 Ų | 51 | 113.1 Ų | 113.1 | 27% | 0.273 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66.6 | -41.3 | 172.3 | -166.7 | -87.4 | 0 | 0 | 0 | 111.6 | D235 R241 R242 S243 | D235-D239 PolarHBondContact O-N 2.69Å; D239-R241 VanDerWaalsContact C-N 3.28Å; D239-R241 PolarHBondContact O-N 3.25Å; D239-R242 CarbonylContact O-C 3.55Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-S243 VanDerWaalsContact O-CB 3.26Å; D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 2.85Å; D239-S243 PolarHBondContact OD1-OG 3.29Å |
| 240 | F | 58.6 | Low | 46.4 | Very low | 61 Ų | 61 | 113.7 Ų | 113.7 | 27% | 0.268 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -55 | -45.4 | 173.4 | 176.3 | -100.3 | 0 | 0 | 0 | 111.5 | D236 R242 S243 V244 Y313 F317 | D236-F240 PolarHBondContact O-N 2.89Å; F240-R242 VanDerWaalsContact C-N 3.31Å; F240-R242 PolarHBondContact O-N 3.01Å; F240-S243 PolarHBondContact O-N 3.3Å; F240-V244 HydrophobicContact CD2-CG2 3.96Å; F240-V244 HydrophobicContact CE1-CG2 4.3Å; F240-V244 HydrophobicContact CE2-CG2 3.66Å; F240-V244 HydrophobicContact CG-CG2 4.41Å; F240-V244 HydrophobicContact CZ-CG2 3.84Å; F240-V244 WeakPolarHBondContact O-CB 3.12Å; F240-V244 VanDerWaalsContact O-CG2 3.31Å; F240-V244 WeakPolarHBondContact O-CG2 2.97Å; F240-V244 PolarHBondContact O-N 2.87Å; F240-Y313 HydrophobicContact CD2-CD1 4.4Å; F240-Y313 HydrophobicContact CD2-CE1 4.16Å; F240-Y313 HydrophobicContact CE2-CE1 4.02Å; F240-F317 HydrophobicContact CE2-CD2 4.2Å; F240-F317 HydrophobicContact CE2-CE2 4.26Å |
| 241 | R | 58.2 | Low | 45.8 | Very low | 180 Ų | 180 | 112.9 Ų | 112.9 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -62.8 | -34.7 | 177.1 | -64.8 | -83.3 | -88.1 | -172.4 | -8.4 | 112.4 | M237 D238 D239 L245 | M237-R241 WeakPolarHBondContact O-CG 3.25Å; M237-R241 PolarHBondContact O-N 3.5Å; M237-R241 VanDerWaalsContact O-N 3.17Å; D238-R241 PolarHBondContact O-N 2.76Å; D239-R241 VanDerWaalsContact C-N 3.28Å; D239-R241 PolarHBondContact O-N 3.25Å; R241-L245 WeakPolarHBondContact O-CD1 3.33Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å |
| 242 | R | 54 | Low | 45.3 | Very low | 167 Ų | 167 | 115.3 Ų | 115.3 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.2 | -39.6 | 177.7 | -70 | 163.5 | -171.4 | -104.1 | -2.5 | 113 | D238 D239 F240 V246 | D238-R242 WeakPolarHBondContact O-CD 3.3Å; D238-R242 VanDerWaalsContact O-CG 3.25Å; D238-R242 WeakPolarHBondContact O-CG 3.37Å; D238-R242 PolarHBondContact O-N 2.79Å; D238-R242 IonicContact OD1-CZ 2.64Å; D238-R242 IonicContact OD1-NE 2.65Å; D238-R242 PolarHBondContact OD1-NE 3.16Å; D238-R242 IonicContact OD1-NH2 3.36Å; D238-R242 PolarHBondContact OD1-NH2 2.89Å; D239-R242 CarbonylContact O-C 3.55Å; D239-R242 PolarHBondContact O-N 2.69Å; F240-R242 VanDerWaalsContact C-N 3.31Å; F240-R242 PolarHBondContact O-N 3.01Å; R242-V246 WeakPolarHBondContact O-CG2 3.46Å |
| 243 | S | 53.4 | Low | 44.6 | Very low | 46 Ų | 46 | 112.4 Ų | 112.4 | 32% | 0.322 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -74.7 | -37.9 | -175.3 | -76.2 | 0 | 0 | 0 | 0 | 112.6 | D239 F240 L245 | D239-S243 VanDerWaalsContact O-CB 3.26Å; D239-S243 WeakPolarHBondContact O-CB 3.34Å; D239-S243 PolarHBondContact O-N 3.4Å; D239-S243 PolarHBondContact O-OG 2.85Å; D239-S243 PolarHBondContact OD1-OG 3.29Å; F240-S243 PolarHBondContact O-N 3.3Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.25Å |
| 244 | V | 54.6 | Low | 43.9 | Very low | 57 Ų | 57 | 111.9 Ų | 111.9 | 35% | 0.345 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.5 | -27.2 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 113 | F240 V246 F333 | F240-V244 HydrophobicContact CD2-CG2 3.96Å; F240-V244 HydrophobicContact CE1-CG2 4.3Å; F240-V244 HydrophobicContact CE2-CG2 3.66Å; F240-V244 HydrophobicContact CG-CG2 4.41Å; F240-V244 HydrophobicContact CZ-CG2 3.84Å; F240-V244 WeakPolarHBondContact O-CB 3.12Å; F240-V244 VanDerWaalsContact O-CG2 3.31Å; F240-V244 WeakPolarHBondContact O-CG2 2.97Å; F240-V244 PolarHBondContact O-N 2.87Å; V244-V246 VanDerWaalsContact C-N 3.34Å; V244-V246 PolarHBondContact O-N 3.42Å; V244-F333 HydrophobicContact CG1-CE1 4.24Å; V244-F333 HydrophobicContact CG1-CZ 3.84Å |
| 245 | L | 48.5 | Very low | 43.7 | Very low | 150 Ų | 150 | 110.9 Ų | 110.9 | 79% | 0.785 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | 3.1 | -175.5 | -71.2 | 176.8 | 0 | 0 | 0 | 115.4 | R241 S243 | R241-L245 WeakPolarHBondContact O-CD1 3.33Å; R241-L245 WeakPolarHBondContact O-CG 3.45Å; S243-L245 VanDerWaalsContact C-N 3.32Å; S243-L245 PolarHBondContact O-N 3.25Å |
| 246 | V | 42.8 | Very low | 43.4 | Very low | 81 Ų | 81 | 111.4 Ų | 111.4 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -94.8 | -32.5 | -173.1 | 174.7 | 0 | 0 | 0 | 0 | 113.9 | R242 V244 | R242-V246 WeakPolarHBondContact O-CG2 3.46Å; V244-V246 VanDerWaalsContact C-N 3.34Å; V244-V246 PolarHBondContact O-N 3.42Å |
| 247 | E | 40.6 | Very low | 42.4 | Very low | 163 Ų | 163 | 111.5 Ų | 111.5 | 76% | 0.762 | 65% | 0.646 | S | S | * | * | | | trans | -114.7 | 77.6 | -161.9 | -157.2 | 72.8 | -175 | 0 | 0 | 113.5 | | |
| 248 | S | 32.3 | Very low | 41.7 | Very low | 118 Ų | 118 | 112.2 Ų | 112.2 | 83% | 0.825 | 66% | 0.657 | S | S | * | * | | | trans | -153.4 | 109.1 | 167 | -168.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 249 | P | 50.3 | Low | 40.8 | Very low | 106 Ų | 106 | 116.5 Ų | 116.5 | 69% | 0.688 | 68% | 0.677 | S | S | * | * | | | trans | -105.2 | 139.2 | -178.8 | 36 | -29.9 | 0 | 0 | 0 | 113.7 | | |
| 250 | V | 30.3 | Very low | 39.5 | Very low | 140 Ų | 140 | 119 Ų | 119 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | | | trans | 70.4 | 133.3 | 155.8 | 176.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 251 | S | 29 | Very low | 38 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | cis | -155.1 | 162.8 | 20.3 | -142.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 252 | L | 28.1 | Very low | 36.5 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | | | trans | 62.3 | 162.9 | 153 | -69.6 | 166.1 | 0 | 0 | 0 | 119.8 | | |
| 253 | A | 30.5 | Very low | 35.9 | Very low | 95 Ų | 95 | 119.7 Ų | 119.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | -140.7 | 149.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 254 | V | 27.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | | | trans | -146.3 | 138.7 | 155.3 | 143.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 255 | S | 32 | Very low | 33.1 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -102.5 | 149.9 | 170.2 | -66 | 0 | 0 | 0 | 0 | 109.6 | | |
| 256 | P | 37.2 | Very low | 32.2 | Very low | 134 Ų | 134 | 125.1 Ų | 125.1 | 87% | 0.87 | 77% | 0.774 | S | S | * | * | | | trans | -75.3 | 145.3 | -167.4 | 29.9 | -36 | 0 | 0 | 0 | 113.6 | | |
| 257 | G | 30.1 | Very low | 31.4 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -129.1 | 137.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 258 | V | 33.3 | Very low | 30.8 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | trans | -86 | 148.1 | -176.5 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 259 | I | 31.4 | Very low | 31.3 | Very low | 167 Ų | 167 | 126.5 Ų | 126.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | | | trans | 173.9 | 152.7 | 137.5 | -87.9 | 152.2 | 0 | 0 | 0 | 108.9 | | |
| 260 | S | 25.9 | Very low | 30.2 | Very low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | -76.7 | 170.8 | -164.3 | -45.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 261 | L | 28.3 | Very low | 30.1 | Very low | 178 Ų | 178 | 127 Ų | 127 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | | | trans | 98.6 | 147.8 | 156.7 | -63.7 | 161.2 | 0 | 0 | 0 | 118.6 | | |
| 262 | D | 26.1 | Very low | 29.9 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -146.2 | 164.9 | -163.6 | 175.5 | -101.6 | 0 | 0 | 0 | 107.5 | | |
| 263 | P | 41.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 66% | 0.662 | 78% | 0.778 | S | S | * | * | | | cis | -112.5 | 170.8 | -31.7 | 34.6 | -23.3 | 0 | 0 | 0 | 111.8 | | |
| 264 | S | 23.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 125.2 Ų | 125.2 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -154.4 | 138.9 | 152 | -172.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 265 | M | 26.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 123.4 Ų | 123.4 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | trans | -73.4 | 159.1 | -177.7 | 39.8 | -86.4 | 155.6 | 0 | 0 | 116.2 | | |
| 266 | S | 28.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 101.7 | 130.1 | 138.7 | -77.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 267 | E | 26.6 | Very low | 29.1 | Very low | 184 Ų | 184 | 123.1 Ų | 123.1 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | | | trans | 81.8 | 139.7 | 143 | -126 | 159.9 | 116.1 | 0 | 0 | 122.7 | | |
| 268 | S | 27.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 124.8 Ų | 124.8 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | | | trans | -85.1 | -166.2 | 170.8 | -53 | 0 | 0 | 0 | 0 | 108.5 | | |
| 269 | P | 43.4 | Very low | 28.6 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | cis | -147.6 | -165.8 | 9.9 | 34.5 | -7.8 | 0 | 0 | 0 | 117.2 | | |
| 270 | I | 26.7 | Very low | 28.4 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | 68.2 | 124.7 | 151.9 | 55.6 | 174.2 | 0 | 0 | 0 | 123.3 | | |
| 271 | S | 27.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | 91.7 | 101.6 | 129.6 | -71.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 272 | A | 26.3 | Very low | 28.6 | Very low | 82 Ų | 82 | 117.4 Ų | 117.4 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | | 74.6 | 104.5 | 112.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 273 | S | 25.8 | Very low | 29 | Very low | 111 Ų | 111 | 122.5 Ų | 122.5 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 82.5 | 164.9 | 123.5 | -58.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 274 | T | 27.4 | Very low | 28.4 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | 79 | 72.7 | 168.7 | 63.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 275 | S | 27.5 | Very low | 28.5 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | | 47.3 | 131.5 | 114.1 | 65.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 276 | S | 27 | Very low | 28.5 | Very low | 105 Ų | 105 | 124 Ų | 124 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | 106.6 | 166.9 | 128.3 | 83 | 0 | 0 | 0 | 0 | 120.5 | | |
| 277 | V | 29.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 124 Ų | 124 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | 62.8 | 99.4 | 171.9 | -60.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 278 | S | 26.2 | Very low | 28.6 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -63.6 | 153.6 | 155.3 | -32.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 279 | S | 26.8 | Very low | 28.5 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | | 168.8 | 128.8 | 111.5 | -75.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 280 | A | 26.8 | Very low | 27.8 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | trans | 68.9 | 165.3 | 134.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 281 | V | 29.2 | Very low | 27.9 | Very low | 154 Ų | 154 | 115.6 Ų | 115.6 | 93% | 0.933 | 82% | 0.818 | S | S | * | * | | | trans | 72.6 | 130.8 | 177.9 | -170.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 282 | G | 31 | Very low | 28.2 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 73% | 0.732 | 82% | 0.821 | S | S | * | * | | | cis | -155.7 | -178.5 | 5.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 283 | R | 32.8 | Very low | 28.7 | Very low | 251 Ų | 251 | 114.1 Ų | 114.1 | 95% | 0.947 | 83% | 0.827 | S | S | * | * | | | trans | -98.6 | 154.3 | -176 | -69.6 | 167.8 | 153.2 | -175.8 | -7.8 | 112.3 | | |
| 284 | K | 29.5 | Very low | 29.1 | Very low | 213 Ų | 213 | 112.4 Ų | 112.4 | 93% | 0.926 | 83% | 0.828 | S | S | * | * | | | | 132.5 | 133.7 | 121 | -169.1 | -180 | -179.1 | -174.1 | 0 | 115.6 | | |
| 285 | G | 26.3 | Very low | 30.2 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | | | trans | 90.5 | 115.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 286 | A | 27.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 121 Ų | 121 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | | | cis | 95.2 | 95.1 | 17.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 287 | A | 27.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 119.4 Ų | 119.4 | 90% | 0.901 | 84% | 0.841 | S | S | * | * | | | trans | -159.9 | 162.3 | 153 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 288 | A | 27.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 92% | 0.917 | 84% | 0.841 | S | S | * | * | | | trans | -93.3 | 163.6 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 289 | G | 26.9 | Very low | 34 | Very low | 78 Ų | 78 | 127.2 Ų | 127.2 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | | | trans | 145.7 | 127.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 290 | G | 28.6 | Very low | 35 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 92% | 0.918 | 85% | 0.846 | S | S | * | * | | | trans | 91.6 | 133.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 291 | G | 29.2 | Very low | 36.2 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | | | trans | -117.6 | 162.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 292 | G | 32.3 | Very low | 36.9 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | | | trans | 178.8 | 109.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 293 | G | 36.9 | Very low | 38.7 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 83% | 0.826 | S | S | * | * | | | trans | 52.7 | 69.2 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | K295 | G293-K295 PolarHBondContact O-N 3.1Š|
| 294 | G | 35.3 | Very low | 40 | Very low | 76 Ų | 76 | 127.4 Ų | 127.4 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | | | trans | -64.5 | 103.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K296 | G294-K296 PolarHBondContact O-N 3.02Š|
| 295 | K | 48.9 | Very low | 41.8 | Very low | 207 Ų | 207 | 120.4 Ų | 120.4 | 90% | 0.9 | 78% | 0.782 | S | S | * | * | | | trans | -61.7 | 97 | 163.8 | -74.6 | -175.7 | 178.7 | 178.7 | 0 | 108.8 | G293 G297 | G293-K295 PolarHBondContact O-N 3.1Å; K295-G297 PolarHBondContact O-N 3.05Å |
| 296 | K | 47.3 | Very low | 43.8 | Very low | 204 Ų | 204 | 118.4 Ų | 118.4 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | | | trans | -52.1 | 108.2 | 170.7 | -76.2 | -178.3 | 178.8 | 175.3 | 0 | 108.1 | G294 R298 | G294-K296 PolarHBondContact O-N 3.02Å; K296-R298 PolarHBondContact O-N 2.99Å; K296-R298 VanDerWaalsContact O-N 3.13Å |
| 297 | G | 42.9 | Very low | 46.1 | Very low | 71 Ų | 71 | 121 Ų | 121 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | | | trans | -56.5 | 121.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | K295 K299 | K295-G297 PolarHBondContact O-N 3.05Å; G297-K299 PolarHBondContact O-N 3.41Å |
| 298 | R | 51.8 | Low | 48.5 | Very low | 213 Ų | 213 | 122.9 Ų | 122.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | -59.4 | 107.9 | 172.6 | -76 | -172.2 | 174.4 | -165 | 0 | 106.6 | K296 K300 | K296-R298 PolarHBondContact O-N 2.99Å; K296-R298 VanDerWaalsContact O-N 3.13Å; R298-K300 PolarHBondContact O-N 3.4Å |
| 299 | K | 48.7 | Very low | 51 | Low | 196 Ų | 196 | 119.3 Ų | 119.3 | 85% | 0.852 | 71% | 0.705 | S | S | * | * | | | trans | -45.5 | 135.2 | 161 | -86.5 | -176.3 | 170.8 | -176.8 | 0 | 106.3 | G297 K301 | G297-K299 PolarHBondContact O-N 3.41Å; K299-K301 PolarHBondContact O-N 2.62Å |
| 300 | K | 49.3 | Very low | 53.5 | Low | 191 Ų | 191 | 116.8 Ų | 116.8 | 83% | 0.83 | 68% | 0.675 | S | S | * | * | | | trans | -52.5 | 112 | 170.9 | -70.2 | 179.4 | 177.1 | -179.5 | 0 | 106.3 | R298 D302 | R298-K300 PolarHBondContact O-N 3.4Å; K300-D302 PolarHBondContact O-N 3.32Å |
| 301 | K | 50.9 | Low | 56.3 | Low | 140 Ų | 140 | 113.3 Ų | 113.3 | 61% | 0.609 | 64% | 0.636 | S | S | * | * | | | trans | -54.2 | 125.6 | 174.8 | 178.9 | 60.9 | 166.9 | 167.8 | 0 | 106 | K299 P303 E305 | K299-K301 PolarHBondContact O-N 2.62Å; K301-P303 WeakPolarHBondContact O-CD 3.33Å; K301-P303 VanDerWaalsContact O-N 3.12Å; K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 VanDerWaalsContact CE-OE1 3.25Å; K301-E305 WeakPolarHBondContact CE-OE1 3.33Å; K301-E305 WeakPolarHBondContact CE-OE2 3.45Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.42Å; K301-E305 IonicContact NZ-OE2 3.01Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å |
| 302 | D | 44.9 | Very low | 59.1 | Low | 102 Ų | 102 | 109.9 Ų | 109.9 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | | | trans | -52.3 | 118.8 | -164.7 | -61.3 | -90.7 | 0 | 0 | 0 | 110.1 | K300 N304 E305 | K300-D302 PolarHBondContact O-N 3.32Å; D302-N304 PolarHBondContact O-N 3.13Å; D302-E305 PolarHBondContact O-N 2.92Å |
| 303 | P | 68.1 | Low | 61.6 | Low | 132 Ų | 132 | 108.4 Ų | 108.4 | 86% | 0.857 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 5.7 | -168.6 | -26.6 | 35.7 | 0 | 0 | 0 | 116.5 | K301 | K301-P303 WeakPolarHBondContact O-CD 3.33Å; K301-P303 VanDerWaalsContact O-N 3.12Å |
| 304 | N | 59.3 | Low | 64.1 | Low | 121 Ų | 121 | 105.1 Ų | 105.1 | 65% | 0.647 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | -2.7 | -178.2 | -157.6 | 36.8 | 0 | 0 | 0 | 112.7 | D302 Y373 | D302-N304 PolarHBondContact O-N 3.13Å; N304-Y373 HydrophobicContact CB-CE2 4.39Å; N304-Y373 VanDerWaalsContact O-CD2 3.31Å; N304-Y373 WeakPolarHBondContact O-CD2 3.23Å; N304-Y373 VanDerWaalsContact O-CE2 3.23Å; N304-Y373 WeakPolarHBondContact O-CE2 3.27Å |
| 305 | E | 68.4 | Low | 66.5 | Low | 66 Ų | 66 | 103.4 Ų | 103.4 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -78.7 | 126.3 | 166.7 | -170.5 | -176.9 | 134.8 | 0 | 0 | 108.4 | K301 D302 Q307 Y373 | K301-E305 VanDerWaalsContact CE-CD 3.49Å; K301-E305 VanDerWaalsContact CE-OE1 3.25Å; K301-E305 WeakPolarHBondContact CE-OE1 3.33Å; K301-E305 WeakPolarHBondContact CE-OE2 3.45Å; K301-E305 IonicContact NZ-OE1 2.68Å; K301-E305 PolarHBondContact NZ-OE1 3.42Å; K301-E305 IonicContact NZ-OE2 3.01Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; D302-E305 PolarHBondContact O-N 2.92Å; E305-Q307 PolarHBondContact O-N 3.02Å; E305-Y373 HydrophobicContact CB-CE1 4.36Å; E305-Y373 HydrophobicContact CG-CE1 4.25Å |
| 306 | P | 68.1 | Low | 68.5 | Low | 29 Ų | 29 | 93.7 Ų | 93.7 | 19% | 0.188 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -59 | 135.8 | 179.3 | 23.8 | -33.1 | 0 | 0 | 0 | 110.4 | Y366 A369 L370 | P306-Y366 HydrophobicContact CB-CD2 4.1Å; P306-Y366 HydrophobicContact CB-CE2 4.26Å; P306-Y366 HydrophobicContact CG-CD2 4.48Å; P306-Y366 HydrophobicContact CG-CE2 4.29Å; P306-Y366 WeakPolarHBondContact O-CE2 3.29Å; P306-A369 HydrophobicContact CB-CB 3.99Å; P306-A369 HydrophobicContact CG-CB 4.34Å; P306-L370 HydrophobicContact CG-CB 4.28Å; P306-L370 HydrophobicContact CG-CD1 4.05Å |
| 307 | Q | 74.9 | Confident | 70.5 | Confident | 163 Ų | 163 | 84.5 Ų | 84.5 | 76% | 0.762 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -77 | 135.6 | 178.8 | -175.5 | 163.5 | 77.3 | 0 | 0 | 110 | E305 Y366 | E305-Q307 PolarHBondContact O-N 3.02Å; Q307-Y366 WeakPolarHBondContact O-CD2 3.43Å |
| 308 | K | 78.3 | Confident | 72.7 | Confident | 148 Ų | 148 | 88 Ų | 88 | 64% | 0.643 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 143 | 175.8 | -75.5 | -171.2 | 174.8 | -168.7 | 0 | 111.1 | V310 Y366 | K308-V310 PolarHBondContact O-N 3.04Å; K308-Y366 HydrophobicContact CB-CE2 4.49Å; K308-Y366 HydrophobicContact CG-CE2 4.14Å |
| 309 | P | 79.4 | Confident | 74.5 | Confident | 35 Ų | 35 | 81.9 Ų | 81.9 | 23% | 0.227 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 124.9 | 176.6 | 31.4 | -37.7 | 0 | 0 | 0 | 109.2 | A362 K363 Y366 | P309-A362 HydrophobicContact CB-CB 4.17Å; P309-K363 HydrophobicContact CB-CB 4.34Å; P309-K363 HydrophobicContact CG-CB 3.96Å; P309-K363 HydrophobicContact CG-CG 4.22Å; P309-Y366 HydrophobicContact CG-CG 4.48Å |
| 310 | V | 80.4 | Confident | 76.5 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -70 | 145.3 | 169.9 | -76.6 | 0 | 0 | 0 | 0 | 110.2 | K308 A314 L315 N359 | K308-V310 PolarHBondContact O-N 3.04Å; V310-A314 HydrophobicContact CB-CB 3.96Å; V310-L315 HydrophobicContact CG2-CD2 3.59Å; V310-L315 HydrophobicContact CG2-CG 3.92Å; V310-N359 PolarHBondContact O-ND2 3.34Å |
| 311 | S | 87.1 | Confident | 78.5 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 11% | 0.105 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -48.8 | 157.4 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 113.9 | D236 Y313 A314 L315 N359 | D236-S311 VanDerWaalsContact CG-OG 3.24Å; D236-S311 PolarHBondContact OD1-OG 3.49Å; D236-S311 VanDerWaalsContact OD1-OG 3.11Å; D236-S311 WeakPolarHBondContact OD2-CB 3.16Å; D236-S311 PolarHBondContact OD2-OG 3.23Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.31Å; S311-Y313 PolarHBondContact OG-N 2.8Å; S311-A314 CarbonylContact O-C 3.4Å; S311-A314 PolarHBondContact O-N 3.2Å; S311-L315 WeakPolarHBondContact O-CG 3.36Å; S311-L315 PolarHBondContact O-N 3.46Å; S311-N359 WeakPolarHBondContact CA-ND2 3.38Å |
| 312 | A | 87.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 62.6 Ų | 62.6 | 12% | 0.124 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -54 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F316 N359 | A312-F316 PolarHBondContact O-N 3.1Å; A312-N359 HydrophobicContact CB-CB 3.82Å; A312-N359 PolarHBondContact N-ND2 3.48Å |
| 313 | Y | 85.4 | Confident | 82.5 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.8 | -39.7 | 174 | 176.5 | -119.8 | 0 | 0 | 0 | 111.5 | F240 S311 L315 F316 F317 W344 | F240-Y313 HydrophobicContact CD2-CD1 4.4Å; F240-Y313 HydrophobicContact CD2-CE1 4.16Å; F240-Y313 HydrophobicContact CE2-CE1 4.02Å; S311-Y313 VanDerWaalsContact C-N 3.27Å; S311-Y313 PolarHBondContact O-N 3.31Å; S311-Y313 PolarHBondContact OG-N 2.8Å; Y313-L315 PolarHBondContact O-N 2.93Å; Y313-F316 HydrophobicContact CD2-CD1 4.46Å; Y313-F316 HydrophobicContact CE2-CD1 4.49Å; Y313-F316 PolarHBondContact O-N 3.39Å; Y313-F317 HydrophobicContact CE1-CD2 4.42Å; Y313-F317 VanDerWaalsContact O-CB 3.29Å; Y313-F317 WeakPolarHBondContact O-CB 3.25Å; Y313-F317 PolarHBondContact O-N 2.76Å; Y313-W344 HydrophobicContact CD2-CB 4.09Å; Y313-W344 AromaticContact CD2-CD1 3.76Å; Y313-W344 AromaticContact CD2-CD2 3.66Å; Y313-W344 HydrophobicContact CD2-CD2 3.66Å; Y313-W344 AromaticContact CD2-CE2 3.86Å; Y313-W344 HydrophobicContact CD2-CE3 4.26Å; Y313-W344 AromaticContact CD2-CG 3.58Å; Y313-W344 HydrophobicContact CD2-CG 3.58Å; Y313-W344 AromaticContact CD2-NE1 3.91Å; Y313-W344 HydrophobicContact CE2-CB 3.79Å; Y313-W344 AromaticContact CE2-CD1 4Å; Y313-W344 HydrophobicContact CE2-CD2 4.3Å; Y313-W344 AromaticContact CE2-CG 3.76Å; Y313-W344 HydrophobicContact CE2-CG 3.76Å |
| 314 | A | 88.3 | Confident | 83.5 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.4 | -32.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V310 S311 F317 R318 | V310-A314 HydrophobicContact CB-CB 3.96Å; S311-A314 CarbonylContact O-C 3.4Å; S311-A314 PolarHBondContact O-N 3.2Å; A314-F317 PolarHBondContact O-N 2.86Å; A314-R318 WeakPolarHBondContact O-CG 3.43Å; A314-R318 PolarHBondContact O-N 3.07Å |
| 315 | L | 87.1 | Confident | 84.9 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.5 | -55 | 169.1 | -75.4 | 171 | 0 | 0 | 0 | 110.5 | V310 S311 Y313 F317 R318 D319 K358 N359 | V310-L315 HydrophobicContact CG2-CD2 3.59Å; V310-L315 HydrophobicContact CG2-CG 3.92Å; S311-L315 WeakPolarHBondContact O-CG 3.36Å; S311-L315 PolarHBondContact O-N 3.46Å; Y313-L315 PolarHBondContact O-N 2.93Å; L315-F317 PolarHBondContact O-N 3.29Å; L315-R318 PolarHBondContact O-N 3.3Å; L315-R318 VanDerWaalsContact O-N 3.16Å; L315-D319 PolarHBondContact O-N 3.39Å; L315-K358 HydrophobicContact CD1-CB 4.39Å; L315-N359 HydrophobicContact CD1-CB 4.04Å |
| 316 | F | 89.4 | Confident | 85.9 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.013 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -38.1 | 176.8 | 174.2 | -96.8 | 0 | 0 | 0 | 112.3 | A312 Y313 T320 V340 M343 W344 L347 Y355 | A312-F316 PolarHBondContact O-N 3.1Å; Y313-F316 HydrophobicContact CD2-CD1 4.46Å; Y313-F316 HydrophobicContact CE2-CD1 4.49Å; Y313-F316 PolarHBondContact O-N 3.39Å; F316-T320 VanDerWaalsContact CE2-OG1 3.28Å; F316-T320 WeakPolarHBondContact CE2-OG1 3.35Å; F316-T320 HydrophobicContact CZ-CG2 4.31Å; F316-T320 WeakPolarHBondContact CZ-OG1 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.28Å; F316-T320 PolarHBondContact O-N 3.42Å; F316-T320 PolarHBondContact O-OG1 3Å; F316-V340 HydrophobicContact CD1-CG1 4.17Å; F316-V340 HydrophobicContact CE1-CG1 3.99Å; F316-M343 HydrophobicContact CE2-CE 3.85Å; F316-M343 HydrophobicContact CZ-CB 4.15Å; F316-M343 HydrophobicContact CZ-CE 3.68Å; F316-M343 HydrophobicContact CZ-CG 4.03Å; F316-W344 HydrophobicContact CB-CE3 3.76Å; F316-W344 HydrophobicContact CB-CZ3 3.66Å; F316-W344 HydrophobicContact CD1-CB 3.94Å; F316-W344 HydrophobicContact CD1-CD2 4.15Å; F316-W344 AromaticContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CE3 3.46Å; F316-W344 VanDerWaalsContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CG 4.39Å; F316-W344 HydrophobicContact CD1-CZ3 4.26Å; F316-W344 HydrophobicContact CD2-CE3 4.02Å; F316-W344 HydrophobicContact CD2-CZ3 4.3Å; F316-W344 HydrophobicContact CE1-CB 3.59Å; F316-W344 HydrophobicContact CE1-CE3 4Å; F316-W344 HydrophobicContact CE1-CG 4.45Å; F316-W344 HydrophobicContact CE2-CE3 4.49Å; F316-W344 AromaticContact CG-CE3 3.45Å; F316-W344 HydrophobicContact CG-CE3 3.45Å; F316-W344 VanDerWaalsContact CG-CE3 3.45Å; F316-W344 AromaticContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CZ-CB 4.39Å; F316-W344 HydrophobicContact CZ-CE3 4.46Å; F316-L347 HydrophobicContact CD2-CD1 3.97Å; F316-L347 HydrophobicContact CE2-CD1 3.67Å; F316-L347 HydrophobicContact CE2-CD2 4.42Å; F316-L347 HydrophobicContact CE2-CG 4.22Å; F316-L347 HydrophobicContact CZ-CD1 4.17Å; F316-L347 HydrophobicContact CZ-CG 4.37Å; F316-Y355 HydrophobicContact CB-CD1 4.07Å; F316-Y355 HydrophobicContact CB-CE1 4.18Å; F316-Y355 HydrophobicContact CB-CG 4.26Å; F316-Y355 HydrophobicContact CD2-CD2 4.16Å; F316-Y355 HydrophobicContact CD2-CE1 4.33Å; F316-Y355 AromaticContact CD2-CE2 3.69Å; F316-Y355 HydrophobicContact CD2-CE2 3.69Å; F316-Y355 AromaticContact CD2-CZ 3.8Å; F316-Y355 HydrophobicContact CE2-CE2 4.41Å |
| 317 | F | 90.1 | Very high | 86.8 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.044 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 177.1 | -171.6 | -78.1 | 0 | 0 | 0 | 110.8 | F240 Y313 A314 L315 Q321 F333 V340 | F240-F317 HydrophobicContact CE2-CD2 4.2Å; F240-F317 HydrophobicContact CE2-CE2 4.26Å; Y313-F317 HydrophobicContact CE1-CD2 4.42Å; Y313-F317 VanDerWaalsContact O-CB 3.29Å; Y313-F317 WeakPolarHBondContact O-CB 3.25Å; Y313-F317 PolarHBondContact O-N 2.76Å; A314-F317 PolarHBondContact O-N 2.86Å; L315-F317 PolarHBondContact O-N 3.29Å; F317-Q321 HydrophobicContact CD1-CB 4.27Å; F317-Q321 HydrophobicContact CE1-CB 4.21Å; F317-Q321 HydrophobicContact CE1-CG 4.29Å; F317-Q321 WeakPolarHBondContact O-CA 3.46Å; F317-Q321 WeakPolarHBondContact O-CB 3.41Å; F317-Q321 PolarHBondContact O-N 3.29Å; F317-F333 HydrophobicContact CE1-CE2 4.02Å; F317-F333 HydrophobicContact CE1-CZ 4.25Å; F317-F333 AromaticContact CZ-CE2 3.92Å; F317-F333 HydrophobicContact CZ-CE2 3.92Å; F317-F333 AromaticContact CZ-CZ 3.87Å; F317-F333 HydrophobicContact CZ-CZ 3.87Å; F317-V340 HydrophobicContact CB-CG1 4.12Å; F317-V340 HydrophobicContact CD2-CB 4.11Å; F317-V340 HydrophobicContact CD2-CG1 3.42Å; F317-V340 VanDerWaalsContact CD2-CG1 3.42Å; F317-V340 HydrophobicContact CE2-CB 4.23Å; F317-V340 HydrophobicContact CE2-CG1 4.04Å; F317-V340 HydrophobicContact CG-CG1 3.96Å |
| 318 | R | 90 | Very high | 87.2 | Confident | 145 Ų | 145 | 56.6 Ų | 56.6 | 55% | 0.547 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | 177.9 | -70.6 | -179.6 | 75.6 | 145.5 | 6.9 | 112.1 | A314 L315 A322 | A314-R318 WeakPolarHBondContact O-CG 3.43Å; A314-R318 PolarHBondContact O-N 3.07Å; L315-R318 PolarHBondContact O-N 3.3Å; L315-R318 VanDerWaalsContact O-N 3.16Å; R318-A322 VanDerWaalsContact O-CB 3.3Å; R318-A322 WeakPolarHBondContact O-CB 3.31Å; R318-A322 PolarHBondContact O-N 2.98Å |
| 319 | D | 89.7 | Confident | 87.5 | Confident | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 178.1 | -71.8 | -8.6 | 0 | 0 | 0 | 111 | L315 A323 | L315-D319 PolarHBondContact O-N 3.39Å; D319-A323 PolarHBondContact O-N 3.23Å; D319-A323 VanDerWaalsContact O-N 3.12Å |
| 320 | T | 89.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 4% | 0.043 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -76.2 | -38.4 | -175.7 | -52.7 | 0 | 0 | 0 | 0 | 112.4 | F316 A322 A323 I324 V340 M343 | F316-T320 VanDerWaalsContact CE2-OG1 3.28Å; F316-T320 WeakPolarHBondContact CE2-OG1 3.35Å; F316-T320 HydrophobicContact CZ-CG2 4.31Å; F316-T320 WeakPolarHBondContact CZ-OG1 3.29Å; F316-T320 WeakPolarHBondContact O-CB 3.28Å; F316-T320 PolarHBondContact O-N 3.42Å; F316-T320 PolarHBondContact O-OG1 3Å; T320-A322 VanDerWaalsContact C-N 3.31Å; T320-A322 PolarHBondContact O-N 3.19Å; T320-A323 PolarHBondContact O-N 2.9Å; T320-I324 HydrophobicContact CG2-CD1 3.71Å; T320-I324 HydrophobicContact CG2-CG1 4.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.37Å; T320-I324 PolarHBondContact O-N 3.03Å; T320-V340 HydrophobicContact CG2-CG2 3.85Å; T320-M343 HydrophobicContact CG2-CE 3.46Å; T320-M343 VanDerWaalsContact CG2-CE 3.46Å; T320-M343 HydrophobicContact CG2-SD 3.71Å |
| 321 | Q | 90.8 | Very high | 88 | Confident | 48 Ų | 48 | 59.9 Ų | 59.9 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.3 | -175.2 | -163.2 | 9 | 0 | 0 | 110.7 | F317 K325 V336 | F317-Q321 HydrophobicContact CD1-CB 4.27Å; F317-Q321 HydrophobicContact CE1-CB 4.21Å; F317-Q321 HydrophobicContact CE1-CG 4.29Å; F317-Q321 WeakPolarHBondContact O-CA 3.46Å; F317-Q321 WeakPolarHBondContact O-CB 3.41Å; F317-Q321 PolarHBondContact O-N 3.29Å; Q321-K325 WeakPolarHBondContact O-CB 3.43Å; Q321-K325 PolarHBondContact O-N 3.36Å; Q321-V336 HydrophobicContact CB-CG1 4.23Å; Q321-V336 HydrophobicContact CG-CG1 3.84Å |
| 322 | A | 89.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R318 T320 G326 | R318-A322 VanDerWaalsContact O-CB 3.3Å; R318-A322 WeakPolarHBondContact O-CB 3.31Å; R318-A322 PolarHBondContact O-N 2.98Å; T320-A322 VanDerWaalsContact C-N 3.31Å; T320-A322 PolarHBondContact O-N 3.19Å; A322-G326 PolarHBondContact O-N 3.17Å |
| 323 | A | 91.1 | Very high | 88.2 | Confident | 52 Ų | 52 | 67 Ų | 67 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | D319 T320 G326 Q327 | D319-A323 PolarHBondContact O-N 3.23Å; D319-A323 VanDerWaalsContact O-N 3.12Å; T320-A323 PolarHBondContact O-N 2.9Å; A323-G326 PolarHBondContact O-N 2.9Å; A323-Q327 WeakPolarHBondContact O-CG 3.4Å; A323-Q327 PolarHBondContact O-N 3.49Å |
| 324 | I | 89.3 | Confident | 88.5 | Confident | 16 Ų | 16 | 66.6 Ų | 66.6 | 8% | 0.082 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | -178.6 | -64.1 | 167.8 | 0 | 0 | 0 | 111 | T320 G326 Q327 N328 V336 I339 V340 | T320-I324 HydrophobicContact CG2-CD1 3.71Å; T320-I324 HydrophobicContact CG2-CG1 4.25Å; T320-I324 WeakPolarHBondContact O-CG1 3.37Å; T320-I324 PolarHBondContact O-N 3.03Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 2.9Å; I324-Q327 PolarHBondContact O-N 3.14Å; I324-N328 WeakPolarHBondContact O-CB 3.48Å; I324-N328 PolarHBondContact O-N 2.96Å; I324-V336 HydrophobicContact CB-CG1 4.04Å; I324-V336 HydrophobicContact CD1-CG1 4.34Å; I324-V336 HydrophobicContact CG2-CB 4.4Å; I324-V336 HydrophobicContact CG2-CG1 3.99Å; I324-V336 HydrophobicContact CG2-CG2 3.88Å; I324-I339 HydrophobicContact CD1-CB 4.01Å; I324-I339 HydrophobicContact CD1-CG2 3.55Å; I324-V340 HydrophobicContact CD1-CG2 3.89Å |
| 325 | K | 88.8 | Confident | 88.6 | Confident | 122 Ų | 122 | 70.9 Ų | 70.9 | 53% | 0.53 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.3 | -28.4 | 178.3 | -169.6 | 173.1 | -177.9 | 178.9 | 0 | 112.5 | Q321 N328 P329 | Q321-K325 WeakPolarHBondContact O-CB 3.43Å; Q321-K325 PolarHBondContact O-N 3.36Å; K325-N328 CarbonylContact O-C 3.58Å; K325-P329 WeakPolarHBondContact O-CA 3.29Å |
| 326 | G | 88.6 | Confident | 88.7 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -67.4 | -37.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A322 A323 I324 | A322-G326 PolarHBondContact O-N 3.17Å; A323-G326 PolarHBondContact O-N 2.9Å; I324-G326 VanDerWaalsContact C-N 3.32Å; I324-G326 PolarHBondContact O-N 2.9Å |
| 327 | Q | 87.5 | Confident | 88.8 | Confident | 149 Ų | 149 | 70.2 Ų | 70.2 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -78.3 | -34 | 175.3 | -67.5 | 175.7 | 12.3 | 0 | 0 | 112.9 | A323 I324 | A323-Q327 WeakPolarHBondContact O-CG 3.4Å; A323-Q327 PolarHBondContact O-N 3.49Å; I324-Q327 PolarHBondContact O-N 3.14Å |
| 328 | N | 82.1 | Confident | 89 | Confident | 83 Ų | 83 | 77.3 Ų | 77.3 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | | | trans | -131.1 | 74.4 | -174.3 | -60.6 | -86.9 | 0 | 0 | 0 | 110.4 | I324 K325 N330 A331 | I324-N328 WeakPolarHBondContact O-CB 3.48Å; I324-N328 PolarHBondContact O-N 2.96Å; K325-N328 CarbonylContact O-C 3.58Å; N328-N330 PolarHBondContact O-N 3.34Å; N328-N330 VanDerWaalsContact O-N 3.12Å; N328-A331 HydrophobicContact CB-CB 3.78Å; N328-A331 WeakPolarHBondContact O-CB 3.29Å; N328-A331 PolarHBondContact O-N 3.07Å |
| 329 | P | 85.3 | Confident | 89 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.3 | -177.9 | 25.4 | -35.1 | 0 | 0 | 0 | 113.8 | K325 | K325-P329 WeakPolarHBondContact O-CA 3.29Š|
| 330 | N | 86.1 | Confident | 89.1 | Confident | 157 Ų | 157 | 70.6 Ų | 70.6 | 84% | 0.84 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -7.7 | 176.2 | -61.9 | -41.4 | 0 | 0 | 0 | 113.9 | N328 | N328-N330 PolarHBondContact O-N 3.34Å; N328-N330 VanDerWaalsContact O-N 3.12Å |
| 331 | A | 85.3 | Confident | 89.3 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 23% | 0.231 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -71.2 | 136.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | N328 V336 | N328-A331 HydrophobicContact CB-CB 3.78Å; N328-A331 WeakPolarHBondContact O-CB 3.29Å; N328-A331 PolarHBondContact O-N 3.07Å; A331-V336 HydrophobicContact CB-CG2 3.89Å |
| 332 | T | 90.9 | Very high | 89.4 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | | | trans | -71.4 | 153.4 | 179 | 69.3 | 0 | 0 | 0 | 0 | 111 | G334 E335 V336 | T332-G334 PolarHBondContact O-N 3.38Å; T332-G334 VanDerWaalsContact O-N 3.15Å; T332-E335 VanDerWaalsContact CB-OE2 3.25Å; T332-E335 WeakPolarHBondContact CB-OE2 3.43Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.49Å; T332-E335 PolarHBondContact N-OE2 2.79Å; T332-E335 PolarHBondContact O-N 3.18Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.37Å; T332-E335 PolarHBondContact OG1-N 3.41Å; T332-E335 PolarHBondContact OG1-OE2 2.9Å; T332-V336 WeakPolarHBondContact O-CG2 3.23Å; T332-V336 PolarHBondContact O-N 2.78Å |
| 333 | F | 86.6 | Confident | 89.4 | Confident | 100 Ų | 100 | 73.8 Ų | 73.8 | 44% | 0.439 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.8 | -33.1 | 176 | 178.1 | -97.6 | 0 | 0 | 0 | 112.6 | V244 F317 S337 | V244-F333 HydrophobicContact CG1-CE1 4.24Å; V244-F333 HydrophobicContact CG1-CZ 3.84Å; F317-F333 HydrophobicContact CE1-CE2 4.02Å; F317-F333 HydrophobicContact CE1-CZ 4.25Å; F317-F333 AromaticContact CZ-CE2 3.92Å; F317-F333 HydrophobicContact CZ-CE2 3.92Å; F317-F333 AromaticContact CZ-CZ 3.87Å; F317-F333 HydrophobicContact CZ-CZ 3.87Å; F333-S337 WeakPolarHBondContact CE1-OG 3.26Å; F333-S337 WeakPolarHBondContact CZ-OG 3.47Å; F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 3.47Å; F333-S337 PolarHBondContact O-OG 3.25Å |
| 334 | G | 91.9 | Very high | 89.3 | Confident | 40 Ų | 40 | 73.5 Ų | 73.5 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.2 | -36.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T332 K338 | T332-G334 PolarHBondContact O-N 3.38Å; T332-G334 VanDerWaalsContact O-N 3.15Å; G334-K338 WeakPolarHBondContact O-CG 3.4Å; G334-K338 PolarHBondContact O-N 2.9Å |
| 335 | E | 90.6 | Very high | 89.4 | Confident | 100 Ų | 100 | 78.3 Ų | 78.3 | 47% | 0.467 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.5 | -48 | 174.2 | -68.6 | 157.8 | 132.5 | 0 | 0 | 110.7 | T332 S337 K338 I339 | T332-E335 VanDerWaalsContact CB-OE2 3.25Å; T332-E335 WeakPolarHBondContact CB-OE2 3.43Å; T332-E335 WeakPolarHBondContact CG2-OE2 3.49Å; T332-E335 PolarHBondContact N-OE2 2.79Å; T332-E335 PolarHBondContact O-N 3.18Å; T332-E335 VanDerWaalsContact O-N 3.1Å; T332-E335 VanDerWaalsContact OG1-CD 3.27Å; T332-E335 WeakPolarHBondContact OG1-CG 3.37Å; T332-E335 PolarHBondContact OG1-N 3.41Å; T332-E335 PolarHBondContact OG1-OE2 2.9Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.24Å; E335-K338 PolarHBondContact O-N 3.44Å; E335-K338 VanDerWaalsContact O-N 3.16Å; E335-I339 WeakPolarHBondContact O-CG1 3.48Å; E335-I339 PolarHBondContact O-N 3.36Å |
| 336 | V | 90.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.024 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -57.8 | -44 | 176.6 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Q321 I324 A331 T332 K338 I339 V340 | Q321-V336 HydrophobicContact CB-CG1 4.23Å; Q321-V336 HydrophobicContact CG-CG1 3.84Å; I324-V336 HydrophobicContact CB-CG1 4.04Å; I324-V336 HydrophobicContact CD1-CG1 4.34Å; I324-V336 HydrophobicContact CG2-CB 4.4Å; I324-V336 HydrophobicContact CG2-CG1 3.99Å; I324-V336 HydrophobicContact CG2-CG2 3.88Å; A331-V336 HydrophobicContact CB-CG2 3.89Å; T332-V336 WeakPolarHBondContact O-CG2 3.23Å; T332-V336 PolarHBondContact O-N 2.78Å; V336-K338 VanDerWaalsContact C-N 3.34Å; V336-K338 PolarHBondContact O-N 3.24Å; V336-I339 PolarHBondContact O-N 2.92Å; V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.23Å; V336-V340 WeakPolarHBondContact O-CG2 3.45Å; V336-V340 PolarHBondContact O-N 2.91Å |
| 337 | S | 91.7 | Very high | 89.7 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 113 | F333 E335 A341 | F333-S337 WeakPolarHBondContact CE1-OG 3.26Å; F333-S337 WeakPolarHBondContact CZ-OG 3.47Å; F333-S337 VanDerWaalsContact O-CB 3.27Å; F333-S337 WeakPolarHBondContact O-CB 3.43Å; F333-S337 PolarHBondContact O-N 3.47Å; F333-S337 PolarHBondContact O-OG 3.25Å; E335-S337 VanDerWaalsContact C-N 3.3Å; E335-S337 PolarHBondContact O-N 3.24Å; S337-A341 WeakPolarHBondContact O-CB 3.31Å; S337-A341 PolarHBondContact O-N 3.33Å |
| 338 | K | 93.1 | Very high | 89.9 | Confident | 160 Ų | 160 | 70 Ų | 70 | 70% | 0.696 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 176.3 | -72.6 | 171.1 | -179 | -178.7 | 0 | 112 | G334 E335 V336 S342 | G334-K338 WeakPolarHBondContact O-CG 3.4Å; G334-K338 PolarHBondContact O-N 2.9Å; E335-K338 PolarHBondContact O-N 3.44Å; E335-K338 VanDerWaalsContact O-N 3.16Å; V336-K338 VanDerWaalsContact C-N 3.34Å; V336-K338 PolarHBondContact O-N 3.24Å; K338-S342 WeakPolarHBondContact O-CB 3.37Å; K338-S342 PolarHBondContact O-N 2.83Å |
| 339 | I | 90.1 | Very high | 90.1 | Very high | 88 Ų | 88 | 71.4 Ų | 71.4 | 45% | 0.451 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.9 | -60.3 | 161.3 | 0 | 0 | 0 | 110 | I324 E335 V336 S342 M343 | I324-I339 HydrophobicContact CD1-CB 4.01Å; I324-I339 HydrophobicContact CD1-CG2 3.55Å; E335-I339 WeakPolarHBondContact O-CG1 3.48Å; E335-I339 PolarHBondContact O-N 3.36Å; V336-I339 PolarHBondContact O-N 2.92Å; I339-S342 PolarHBondContact O-N 2.93Å; I339-M343 VanDerWaalsContact O-CB 3.25Å; I339-M343 WeakPolarHBondContact O-CB 3.39Å; I339-M343 PolarHBondContact O-N 3.04Å |
| 340 | V | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | 176.6 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | F316 F317 T320 I324 V336 M343 W344 | F316-V340 HydrophobicContact CD1-CG1 4.17Å; F316-V340 HydrophobicContact CE1-CG1 3.99Å; F317-V340 HydrophobicContact CB-CG1 4.12Å; F317-V340 HydrophobicContact CD2-CB 4.11Å; F317-V340 HydrophobicContact CD2-CG1 3.42Å; F317-V340 VanDerWaalsContact CD2-CG1 3.42Å; F317-V340 HydrophobicContact CE2-CB 4.23Å; F317-V340 HydrophobicContact CE2-CG1 4.04Å; F317-V340 HydrophobicContact CG-CG1 3.96Å; T320-V340 HydrophobicContact CG2-CG2 3.85Å; I324-V340 HydrophobicContact CD1-CG2 3.89Å; V336-V340 HydrophobicContact CG1-CG2 4.12Å; V336-V340 VanDerWaalsContact O-CG2 3.23Å; V336-V340 WeakPolarHBondContact O-CG2 3.45Å; V336-V340 PolarHBondContact O-N 2.91Å; V340-M343 PolarHBondContact O-N 3.47Å; V340-W344 PolarHBondContact O-N 2.82Å |
| 341 | A | 92.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 70.4 Ų | 70.4 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.6 | -50.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S337 M343 W344 D345 | S337-A341 WeakPolarHBondContact O-CB 3.31Å; S337-A341 PolarHBondContact O-N 3.33Å; A341-M343 VanDerWaalsContact C-N 3.27Å; A341-M343 PolarHBondContact O-N 3.02Å; A341-W344 WeakPolarHBondContact O-CB 3.27Å; A341-W344 PolarHBondContact O-N 3.15Å; A341-W344 VanDerWaalsContact O-N 3.1Å; A341-D345 PolarHBondContact O-N 2.87Å |
| 342 | S | 93 | Very high | 90.4 | Very high | 77 Ų | 77 | 71.2 Ų | 71.2 | 54% | 0.538 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 176.5 | -178.8 | 0 | 0 | 0 | 0 | 113 | K338 I339 S346 | K338-S342 WeakPolarHBondContact O-CB 3.37Å; K338-S342 PolarHBondContact O-N 2.83Å; I339-S342 PolarHBondContact O-N 2.93Å; S342-S346 WeakPolarHBondContact O-CB 3.44Å; S342-S346 PolarHBondContact O-N 3.23Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 3.49Å |
| 343 | M | 89.8 | Confident | 90.3 | Very high | 79 Ų | 79 | 71.6 Ų | 71.6 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -72.8 | -32.4 | 176.4 | -163.6 | 173.9 | 120.3 | 0 | 0 | 112.3 | F316 T320 I339 V340 A341 S346 L347 | F316-M343 HydrophobicContact CE2-CE 3.85Å; F316-M343 HydrophobicContact CZ-CB 4.15Å; F316-M343 HydrophobicContact CZ-CE 3.68Å; F316-M343 HydrophobicContact CZ-CG 4.03Å; T320-M343 HydrophobicContact CG2-CE 3.46Å; T320-M343 VanDerWaalsContact CG2-CE 3.46Å; T320-M343 HydrophobicContact CG2-SD 3.71Å; I339-M343 VanDerWaalsContact O-CB 3.25Å; I339-M343 WeakPolarHBondContact O-CB 3.39Å; I339-M343 PolarHBondContact O-N 3.04Å; V340-M343 PolarHBondContact O-N 3.47Å; A341-M343 VanDerWaalsContact C-N 3.27Å; A341-M343 PolarHBondContact O-N 3.02Å; M343-S346 WeakPolarHBondContact CA-OG 3.49Å; M343-S346 PolarHBondContact O-OG 2.88Å; M343-L347 WeakPolarHBondContact O-CG 3.1Å; M343-L347 PolarHBondContact O-N 3.42Å |
| 344 | W | 90.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 69.8 Ų | 69.8 | 17% | 0.174 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68 | -48.3 | 171.4 | 178.4 | -107.1 | 0 | 0 | 0 | 111.3 | Y313 F316 V340 A341 S346 L347 K352 Y355 | Y313-W344 HydrophobicContact CD2-CB 4.09Å; Y313-W344 AromaticContact CD2-CD1 3.76Å; Y313-W344 AromaticContact CD2-CD2 3.66Å; Y313-W344 HydrophobicContact CD2-CD2 3.66Å; Y313-W344 AromaticContact CD2-CE2 3.86Å; Y313-W344 HydrophobicContact CD2-CE3 4.26Å; Y313-W344 AromaticContact CD2-CG 3.58Å; Y313-W344 HydrophobicContact CD2-CG 3.58Å; Y313-W344 AromaticContact CD2-NE1 3.91Å; Y313-W344 HydrophobicContact CE2-CB 3.79Å; Y313-W344 AromaticContact CE2-CD1 4Å; Y313-W344 HydrophobicContact CE2-CD2 4.3Å; Y313-W344 AromaticContact CE2-CG 3.76Å; Y313-W344 HydrophobicContact CE2-CG 3.76Å; F316-W344 HydrophobicContact CB-CE3 3.76Å; F316-W344 HydrophobicContact CB-CZ3 3.66Å; F316-W344 HydrophobicContact CD1-CB 3.94Å; F316-W344 HydrophobicContact CD1-CD2 4.15Å; F316-W344 AromaticContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CE3 3.46Å; F316-W344 VanDerWaalsContact CD1-CE3 3.46Å; F316-W344 HydrophobicContact CD1-CG 4.39Å; F316-W344 HydrophobicContact CD1-CZ3 4.26Å; F316-W344 HydrophobicContact CD2-CE3 4.02Å; F316-W344 HydrophobicContact CD2-CZ3 4.3Å; F316-W344 HydrophobicContact CE1-CB 3.59Å; F316-W344 HydrophobicContact CE1-CE3 4Å; F316-W344 HydrophobicContact CE1-CG 4.45Å; F316-W344 HydrophobicContact CE2-CE3 4.49Å; F316-W344 AromaticContact CG-CE3 3.45Å; F316-W344 HydrophobicContact CG-CE3 3.45Å; F316-W344 VanDerWaalsContact CG-CE3 3.45Å; F316-W344 AromaticContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CG-CZ3 3.82Å; F316-W344 HydrophobicContact CZ-CB 4.39Å; F316-W344 HydrophobicContact CZ-CE3 4.46Å; V340-W344 PolarHBondContact O-N 2.82Å; A341-W344 WeakPolarHBondContact O-CB 3.27Å; A341-W344 PolarHBondContact O-N 3.15Å; A341-W344 VanDerWaalsContact O-N 3.1Å; W344-S346 VanDerWaalsContact C-N 3.25Å; W344-S346 PolarHBondContact O-N 2.84Å; W344-L347 HydrophobicContact CE3-CD1 3.73Å; W344-L347 HydrophobicContact CZ3-CD1 4.01Å; W344-L347 WeakPolarHBondContact O-CB 3.36Å; W344-L347 PolarHBondContact O-N 2.81Å; W344-K352 HydrophobicContact CH2-CG 4.25Å; W344-K352 HydrophobicContact CZ2-CG 4.23Å; W344-K352 HydrophobicContact CZ3-CG 4.46Å; W344-K352 WeakPolarHBondContact O-CE 3.44Å; W344-K352 PolarHBondContact O-NZ 3.11Å; W344-K352 VanDerWaalsContact O-NZ 3.15Å; W344-Y355 HydrophobicContact CZ3-CD2 4.12Å; W344-Y355 HydrophobicContact CZ3-CG 4.15Å |
| 345 | D | 91.8 | Very high | 90.2 | Very high | 116 Ų | 116 | 69.8 Ų | 69.8 | 62% | 0.62 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 179.7 | -70.1 | -33.2 | 0 | 0 | 0 | 111.4 | A341 L347 K352 | A341-D345 PolarHBondContact O-N 2.87Å; D345-L347 PolarHBondContact O-N 2.81Å; D345-K352 PolarHBondContact O-NZ 3.23Å |
| 346 | S | 91.8 | Very high | 90 | Very high | 94 Ų | 94 | 71.7 Ų | 71.7 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -1.6 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 115.8 | S342 M343 W344 | S342-S346 WeakPolarHBondContact O-CB 3.44Å; S342-S346 PolarHBondContact O-N 3.23Å; S342-S346 VanDerWaalsContact O-N 3.1Å; S342-S346 PolarHBondContact O-OG 3.49Å; M343-S346 WeakPolarHBondContact CA-OG 3.49Å; M343-S346 PolarHBondContact O-OG 2.88Å; W344-S346 VanDerWaalsContact C-N 3.25Å; W344-S346 PolarHBondContact O-N 2.84Å |
| 347 | L | 90.3 | Very high | 90.1 | Very high | 33 Ų | 33 | 78.8 Ų | 78.8 | 17% | 0.173 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -65.8 | 139.3 | 164.7 | -73.5 | -171.7 | 0 | 0 | 0 | 110.7 | F316 M343 W344 D345 Q351 K352 Y355 | F316-L347 HydrophobicContact CD2-CD1 3.97Å; F316-L347 HydrophobicContact CE2-CD1 3.67Å; F316-L347 HydrophobicContact CE2-CD2 4.42Å; F316-L347 HydrophobicContact CE2-CG 4.22Å; F316-L347 HydrophobicContact CZ-CD1 4.17Å; F316-L347 HydrophobicContact CZ-CG 4.37Å; M343-L347 WeakPolarHBondContact O-CG 3.1Å; M343-L347 PolarHBondContact O-N 3.42Å; W344-L347 HydrophobicContact CE3-CD1 3.73Å; W344-L347 HydrophobicContact CZ3-CD1 4.01Å; W344-L347 WeakPolarHBondContact O-CB 3.36Å; W344-L347 PolarHBondContact O-N 2.81Å; D345-L347 PolarHBondContact O-N 2.81Å; L347-Q351 HydrophobicContact CB-CB 4.22Å; L347-Q351 HydrophobicContact CD1-CB 4Å; L347-Q351 HydrophobicContact CD2-CB 4.01Å; L347-Q351 HydrophobicContact CD2-CG 4.38Å; L347-Q351 HydrophobicContact CG-CB 4.31Å; L347-K352 HydrophobicContact CB-CD 4.47Å; L347-K352 HydrophobicContact CB-CG 4.04Å; L347-K352 WeakPolarHBondContact O-CE 3.4Å; L347-K352 PolarHBondContact O-NZ 2.82Å; L347-Y355 HydrophobicContact CD1-CD2 4.2Å; L347-Y355 HydrophobicContact CD1-CE2 4.27Å |
| 348 | G | 91.8 | Very high | 89.8 | Confident | 35 Ų | 35 | 82.1 Ų | 82.1 | 36% | 0.361 | 41% | 0.412 | S | S | . | . | | | trans | -65.4 | 157.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E350 Q351 K352 | G348-E350 PolarHBondContact O-N 3.38Å; G348-Q351 VanDerWaalsContact CA-OE1 3.31Å; G348-Q351 VanDerWaalsContact N-OE1 3.15Å; G348-Q351 PolarHBondContact O-N 3.44Å; G348-Q351 PolarHBondContact O-OE1 3.31Å; G348-K352 PolarHBondContact O-N 2.59Å |
| 349 | E | 87.6 | Confident | 89.6 | Confident | 112 Ų | 112 | 76.1 Ų | 76.1 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -30.1 | 179.1 | -179.2 | 53.1 | -154.4 | 0 | 0 | 112 | K352 Q353 | E349-K352 PolarHBondContact O-N 3.49Å; E349-Q353 HydrophobicContact CG-CG 4.5Å; E349-Q353 WeakPolarHBondContact O-CB 3.31Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 WeakPolarHBondContact OE1-CG 2.95Å |
| 350 | E | 87.4 | Confident | 89.6 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -62.7 | -46.1 | 173.9 | -169.9 | -177.2 | 90.4 | 0 | 0 | 112.5 | G348 Q353 V354 | G348-E350 PolarHBondContact O-N 3.38Å; E350-Q353 PolarHBondContact O-N 3.04Å; E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.64Å |
| 351 | Q | 86.1 | Confident | 89.5 | Confident | 83 Ų | 83 | 80.7 Ų | 80.7 | 39% | 0.388 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 176 | -66.1 | 82.3 | 22.2 | 0 | 0 | 111.4 | L347 G348 Q353 V354 Y355 | L347-Q351 HydrophobicContact CB-CB 4.22Å; L347-Q351 HydrophobicContact CD1-CB 4Å; L347-Q351 HydrophobicContact CD2-CB 4.01Å; L347-Q351 HydrophobicContact CD2-CG 4.38Å; L347-Q351 HydrophobicContact CG-CB 4.31Å; G348-Q351 VanDerWaalsContact CA-OE1 3.31Å; G348-Q351 VanDerWaalsContact N-OE1 3.15Å; G348-Q351 PolarHBondContact O-N 3.44Å; G348-Q351 PolarHBondContact O-OE1 3.31Å; Q351-Q353 VanDerWaalsContact C-N 3.33Å; Q351-Q353 PolarHBondContact O-N 3.18Å; Q351-V354 WeakPolarHBondContact O-CB 3.15Å; Q351-V354 PolarHBondContact O-N 2.65Å; Q351-V354 VanDerWaalsContact O-N 3.14Å; Q351-Y355 VanDerWaalsContact O-CD2 3.29Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.27Å; Q351-Y355 PolarHBondContact O-N 3.04Å |
| 352 | K | 88 | Confident | 89.2 | Confident | 45 Ų | 45 | 81 Ų | 81 | 20% | 0.196 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 172.7 | -74.6 | 166.7 | 171.7 | 144.7 | 0 | 111.3 | W344 D345 L347 G348 E349 V354 Y355 K356 | W344-K352 HydrophobicContact CH2-CG 4.25Å; W344-K352 HydrophobicContact CZ2-CG 4.23Å; W344-K352 HydrophobicContact CZ3-CG 4.46Å; W344-K352 WeakPolarHBondContact O-CE 3.44Å; W344-K352 PolarHBondContact O-NZ 3.11Å; W344-K352 VanDerWaalsContact O-NZ 3.15Å; D345-K352 PolarHBondContact O-NZ 3.23Å; L347-K352 HydrophobicContact CB-CD 4.47Å; L347-K352 HydrophobicContact CB-CG 4.04Å; L347-K352 WeakPolarHBondContact O-CE 3.4Å; L347-K352 PolarHBondContact O-NZ 2.82Å; G348-K352 PolarHBondContact O-N 2.59Å; E349-K352 PolarHBondContact O-N 3.49Å; K352-V354 PolarHBondContact O-N 2.77Å; K352-Y355 PolarHBondContact O-N 3.31Å; K352-K356 WeakPolarHBondContact O-CB 3.45Å; K352-K356 PolarHBondContact O-N 3.24Å |
| 353 | Q | 88.6 | Confident | 88.9 | Confident | 88 Ų | 88 | 83.1 Ų | 83.1 | 41% | 0.411 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 172.2 | -78.1 | -170.6 | 28 | 0 | 0 | 113.4 | E349 E350 Q351 Y355 K356 R357 | E349-Q353 HydrophobicContact CG-CG 4.5Å; E349-Q353 WeakPolarHBondContact O-CB 3.31Å; E349-Q353 WeakPolarHBondContact O-CG 3.36Å; E349-Q353 PolarHBondContact O-N 3.33Å; E349-Q353 WeakPolarHBondContact OE1-CG 2.95Å; E350-Q353 PolarHBondContact O-N 3.04Å; Q351-Q353 VanDerWaalsContact C-N 3.33Å; Q351-Q353 PolarHBondContact O-N 3.18Å; Q353-Y355 VanDerWaalsContact C-N 3.34Å; Q353-K356 PolarHBondContact O-N 3.38Å; Q353-R357 VanDerWaalsContact O-CB 3.27Å; Q353-R357 WeakPolarHBondContact O-CB 3.42Å; Q353-R357 PolarHBondContact O-N 2.87Å |
| 354 | V | 89.5 | Confident | 88.9 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 38% | 0.376 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.3 | -42 | 173.1 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | E350 Q351 K352 K358 | E350-V354 WeakPolarHBondContact O-CG2 3.29Å; E350-V354 PolarHBondContact O-N 2.64Å; Q351-V354 WeakPolarHBondContact O-CB 3.15Å; Q351-V354 PolarHBondContact O-N 2.65Å; Q351-V354 VanDerWaalsContact O-N 3.14Å; K352-V354 PolarHBondContact O-N 2.77Å; V354-K358 HydrophobicContact CG1-CD 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.2Å; V354-K358 PolarHBondContact O-N 2.88Å |
| 355 | Y | 87.3 | Confident | 88.7 | Confident | 40 Ų | 40 | 89.2 Ų | 89.2 | 16% | 0.157 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.6 | -35.3 | 174.3 | -75.9 | -76.2 | 0 | 0 | 0 | 113.3 | F316 W344 L347 Q351 K352 Q353 K358 N359 | F316-Y355 HydrophobicContact CB-CD1 4.07Å; F316-Y355 HydrophobicContact CB-CE1 4.18Å; F316-Y355 HydrophobicContact CB-CG 4.26Å; F316-Y355 HydrophobicContact CD2-CD2 4.16Å; F316-Y355 HydrophobicContact CD2-CE1 4.33Å; F316-Y355 AromaticContact CD2-CE2 3.69Å; F316-Y355 HydrophobicContact CD2-CE2 3.69Å; F316-Y355 AromaticContact CD2-CZ 3.8Å; F316-Y355 HydrophobicContact CE2-CE2 4.41Å; W344-Y355 HydrophobicContact CZ3-CD2 4.12Å; W344-Y355 HydrophobicContact CZ3-CG 4.15Å; L347-Y355 HydrophobicContact CD1-CD2 4.2Å; L347-Y355 HydrophobicContact CD1-CE2 4.27Å; Q351-Y355 VanDerWaalsContact O-CD2 3.29Å; Q351-Y355 WeakPolarHBondContact O-CD2 3.27Å; Q351-Y355 PolarHBondContact O-N 3.04Å; K352-Y355 PolarHBondContact O-N 3.31Å; Q353-Y355 VanDerWaalsContact C-N 3.34Å; Y355-K358 HydrophobicContact CD1-CD 3.95Å; Y355-K358 HydrophobicContact CE1-CD 4.11Å; Y355-K358 PolarHBondContact O-N 3.22Å; Y355-N359 PolarHBondContact O-N 2.89Å |
| 356 | K | 87.8 | Confident | 88.5 | Confident | 139 Ų | 139 | 85.6 Ų | 85.6 | 60% | 0.604 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.3 | -47.8 | 171.7 | -168 | 175.1 | -177.6 | 176.2 | 0 | 111.4 | K352 Q353 N359 E360 | K352-K356 WeakPolarHBondContact O-CB 3.45Å; K352-K356 PolarHBondContact O-N 3.24Å; Q353-K356 PolarHBondContact O-N 3.38Å; K356-N359 PolarHBondContact O-N 3.17Å; K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 PolarHBondContact O-N 2.88Å |
| 357 | R | 90.4 | Very high | 88.3 | Confident | 153 Ų | 153 | 85.9 Ų | 85.9 | 58% | 0.577 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.7 | -36.1 | 176.4 | -166.8 | -177.8 | -61.1 | 139 | 6 | 112.4 | Q353 A361 | Q353-R357 VanDerWaalsContact O-CB 3.27Å; Q353-R357 WeakPolarHBondContact O-CB 3.42Å; Q353-R357 PolarHBondContact O-N 2.87Å; R357-A361 VanDerWaalsContact O-CB 3.31Å; R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.26Å |
| 358 | K | 86.1 | Confident | 88.2 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 41% | 0.413 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 170.9 | -78.2 | 174.3 | 175.4 | -175.3 | 0 | 111.8 | L315 V354 Y355 A361 A362 | L315-K358 HydrophobicContact CD1-CB 4.39Å; V354-K358 HydrophobicContact CG1-CD 4.44Å; V354-K358 WeakPolarHBondContact O-CB 3.36Å; V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.2Å; V354-K358 PolarHBondContact O-N 2.88Å; Y355-K358 HydrophobicContact CD1-CD 3.95Å; Y355-K358 HydrophobicContact CE1-CD 4.11Å; Y355-K358 PolarHBondContact O-N 3.22Å; K358-A361 PolarHBondContact O-N 3.5Å; K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.21Å |
| 359 | N | 89.9 | Confident | 88 | Confident | 35 Ų | 35 | 88.5 Ų | 88.5 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 175.8 | 169.9 | -96.1 | 0 | 0 | 0 | 111.8 | V310 S311 A312 L315 Y355 K356 A361 A362 K363 | V310-N359 PolarHBondContact O-ND2 3.34Å; S311-N359 WeakPolarHBondContact CA-ND2 3.38Å; A312-N359 HydrophobicContact CB-CB 3.82Å; A312-N359 PolarHBondContact N-ND2 3.48Å; L315-N359 HydrophobicContact CD1-CB 4.04Å; Y355-N359 PolarHBondContact O-N 2.89Å; K356-N359 PolarHBondContact O-N 3.17Å; N359-A361 PolarHBondContact O-N 3.31Å; N359-A362 PolarHBondContact O-N 3.48Å; N359-K363 WeakPolarHBondContact O-CB 3.11Å; N359-K363 PolarHBondContact O-N 2.85Å |
| 360 | E | 89.7 | Confident | 87.9 | Confident | 132 Ų | 132 | 84.5 Ų | 84.5 | 62% | 0.617 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -60.1 | -45.6 | 175.5 | -169.3 | -168 | 153.3 | 0 | 0 | 111.6 | K356 K363 K364 | K356-E360 WeakPolarHBondContact O-CB 3.25Å; K356-E360 PolarHBondContact O-N 2.88Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 2.9Å; E360-K364 PolarHBondContact O-N 2.9Å |
| 361 | A | 89.7 | Confident | 87.9 | Confident | 52 Ų | 52 | 80.7 Ų | 80.7 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R357 K358 N359 K363 K364 E365 | R357-A361 VanDerWaalsContact O-CB 3.31Å; R357-A361 WeakPolarHBondContact O-CB 3.4Å; R357-A361 PolarHBondContact O-N 3.26Å; K358-A361 PolarHBondContact O-N 3.5Å; N359-A361 PolarHBondContact O-N 3.31Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 2.9Å; A361-K364 PolarHBondContact O-N 3.06Å; A361-E365 PolarHBondContact O-N 3.03Å |
| 362 | A | 86.7 | Confident | 87.9 | Confident | 39 Ų | 39 | 81.9 Ų | 81.9 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -35 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P309 K358 N359 Y366 | P309-A362 HydrophobicContact CB-CB 4.17Å; K358-A362 WeakPolarHBondContact O-CB 3.41Å; K358-A362 PolarHBondContact O-N 3.21Å; N359-A362 PolarHBondContact O-N 3.48Å; A362-Y366 VanDerWaalsContact O-CB 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.25Å; A362-Y366 PolarHBondContact O-N 3.05Å |
| 363 | K | 86.8 | Confident | 87.7 | Confident | 121 Ų | 121 | 82.8 Ų | 82.8 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | 174 | -175.2 | 177.9 | 178.1 | -179.5 | 0 | 111.9 | P309 N359 E360 A361 L367 | P309-K363 HydrophobicContact CB-CB 4.34Å; P309-K363 HydrophobicContact CG-CB 3.96Å; P309-K363 HydrophobicContact CG-CG 4.22Å; N359-K363 WeakPolarHBondContact O-CB 3.11Å; N359-K363 PolarHBondContact O-N 2.85Å; E360-K363 WeakPolarHBondContact O-CB 3.25Å; E360-K363 PolarHBondContact O-N 2.9Å; A361-K363 VanDerWaalsContact C-N 3.31Å; A361-K363 PolarHBondContact O-N 2.9Å; K363-L367 WeakPolarHBondContact O-CG 3.49Å; K363-L367 PolarHBondContact O-N 3.02Å |
| 364 | K | 89.4 | Confident | 87.5 | Confident | 154 Ų | 154 | 86 Ų | 86 | 67% | 0.67 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -65.6 | -48.5 | 173.9 | -172.4 | 174.1 | -177.6 | 173.9 | 0 | 112 | E360 A361 Y366 L367 K368 | E360-K364 PolarHBondContact O-N 2.9Å; A361-K364 PolarHBondContact O-N 3.06Å; K364-Y366 VanDerWaalsContact C-N 3.35Å; K364-Y366 PolarHBondContact O-N 3.29Å; K364-L367 PolarHBondContact O-N 3.16Å; K364-K368 WeakPolarHBondContact O-CB 3.49Å; K364-K368 PolarHBondContact O-N 2.94Å |
| 365 | E | 86.6 | Confident | 87.2 | Confident | 100 Ų | 100 | 85.7 Ų | 85.7 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66 | -35 | 175.7 | -72.9 | -59.5 | 128.9 | 0 | 0 | 112.1 | A361 K368 A369 | A361-E365 PolarHBondContact O-N 3.03Å; E365-K368 PolarHBondContact O-N 3.41Å; E365-K368 IonicContact OE1-NZ 3.41Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 IonicContact OE2-NZ 2.78Å; E365-K368 PolarHBondContact OE2-NZ 2.91Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 3.43Å |
| 366 | Y | 87.3 | Confident | 86.8 | Confident | 40 Ų | 40 | 89.1 Ų | 89.1 | 16% | 0.157 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.2 | -46.4 | 171.2 | 167.8 | -98.6 | 0 | 0 | 0 | 112.4 | P306 Q307 K308 P309 A362 K364 K368 A369 L370 | P306-Y366 HydrophobicContact CB-CD2 4.1Å; P306-Y366 HydrophobicContact CB-CE2 4.26Å; P306-Y366 HydrophobicContact CG-CD2 4.48Å; P306-Y366 HydrophobicContact CG-CE2 4.29Å; P306-Y366 WeakPolarHBondContact O-CE2 3.29Å; Q307-Y366 WeakPolarHBondContact O-CD2 3.43Å; K308-Y366 HydrophobicContact CB-CE2 4.49Å; K308-Y366 HydrophobicContact CG-CE2 4.14Å; P309-Y366 HydrophobicContact CG-CG 4.48Å; A362-Y366 VanDerWaalsContact O-CB 3.27Å; A362-Y366 WeakPolarHBondContact O-CB 3.25Å; A362-Y366 PolarHBondContact O-N 3.05Å; K364-Y366 VanDerWaalsContact C-N 3.35Å; K364-Y366 PolarHBondContact O-N 3.29Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.42Å; Y366-A369 PolarHBondContact O-N 3.36Å; Y366-L370 HydrophobicContact CE1-CD2 4.12Å; Y366-L370 WeakPolarHBondContact O-CB 3.17Å; Y366-L370 PolarHBondContact O-N 2.99Å |
| 367 | L | 87 | Confident | 86.4 | Confident | 99 Ų | 99 | 89.4 Ų | 89.4 | 52% | 0.518 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 179.2 | -73.9 | 169.4 | 0 | 0 | 0 | 112 | K363 K364 L370 S371 | K363-L367 WeakPolarHBondContact O-CG 3.49Å; K363-L367 PolarHBondContact O-N 3.02Å; K364-L367 PolarHBondContact O-N 3.16Å; L367-L370 PolarHBondContact O-N 3.43Å; L367-S371 PolarHBondContact O-N 3.07Å |
| 368 | K | 89.6 | Confident | 85.3 | Confident | 90 Ų | 90 | 88.7 Ų | 88.7 | 39% | 0.391 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.4 | -50.6 | 173.3 | 173 | -177.5 | 153.5 | -143.1 | 0 | 112.2 | K364 E365 Y366 L370 S371 E372 | K364-K368 WeakPolarHBondContact O-CB 3.49Å; K364-K368 PolarHBondContact O-N 2.94Å; E365-K368 PolarHBondContact O-N 3.41Å; E365-K368 IonicContact OE1-NZ 3.41Å; E365-K368 PolarHBondContact OE1-NZ 3.1Å; E365-K368 IonicContact OE2-NZ 2.78Å; E365-K368 PolarHBondContact OE2-NZ 2.91Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.42Å; K368-L370 PolarHBondContact O-N 3.12Å; K368-S371 PolarHBondContact O-N 3.02Å; K368-S371 PolarHBondContact O-OG 3.5Å; K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 VanDerWaalsContact CG-OE1 3.29Å; K368-E372 WeakPolarHBondContact CG-OE1 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.19Å; K368-E372 PolarHBondContact O-N 3.01Å |
| 369 | A | 87 | Confident | 84.4 | Confident | 34 Ų | 34 | 88.9 Ų | 88.9 | 28% | 0.281 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -31.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P306 E365 Y366 Y373 | P306-A369 HydrophobicContact CB-CB 3.99Å; P306-A369 HydrophobicContact CG-CB 4.34Å; E365-A369 VanDerWaalsContact O-CB 3.29Å; E365-A369 WeakPolarHBondContact O-CB 3.45Å; E365-A369 PolarHBondContact O-N 3.43Å; Y366-A369 PolarHBondContact O-N 3.36Å; A369-Y373 WeakPolarHBondContact O-CB 3.39Å; A369-Y373 PolarHBondContact O-N 3.23Å |
| 370 | L | 86 | Confident | 82.8 | Confident | 27 Ų | 27 | 95.5 Ų | 95.5 | 14% | 0.141 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -72.2 | -35.9 | 174.8 | -169.8 | 71.8 | 0 | 0 | 0 | 112.5 | P306 Y366 L367 K368 R374 | P306-L370 HydrophobicContact CG-CB 4.28Å; P306-L370 HydrophobicContact CG-CD1 4.05Å; Y366-L370 HydrophobicContact CE1-CD2 4.12Å; Y366-L370 WeakPolarHBondContact O-CB 3.17Å; Y366-L370 PolarHBondContact O-N 2.99Å; L367-L370 PolarHBondContact O-N 3.43Å; K368-L370 PolarHBondContact O-N 3.12Å; L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 WeakPolarHBondContact O-CD 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.26Å; L370-R374 PolarHBondContact O-N 3.33Å; L370-R374 VanDerWaalsContact O-N 3.07Å |
| 371 | S | 85.4 | Confident | 80.5 | Confident | 67 Ų | 67 | 93.2 Ų | 93.2 | 47% | 0.469 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.9 | -40.7 | 173.5 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | L367 K368 R374 A375 | L367-S371 PolarHBondContact O-N 3.07Å; K368-S371 PolarHBondContact O-N 3.02Å; K368-S371 PolarHBondContact O-OG 3.5Å; S371-R374 PolarHBondContact O-N 3.12Å; S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 3.46Å |
| 372 | E | 86.3 | Confident | 78.5 | Confident | 107 Ų | 107 | 96.5 Ų | 96.5 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 172.3 | -70.2 | 169.3 | -171.8 | 0 | 0 | 111.3 | K368 R374 A375 N376 | K368-E372 WeakPolarHBondContact CE-OE1 3.47Å; K368-E372 VanDerWaalsContact CG-OE1 3.29Å; K368-E372 WeakPolarHBondContact CG-OE1 3.49Å; K368-E372 WeakPolarHBondContact O-CG 3.19Å; K368-E372 PolarHBondContact O-N 3.01Å; E372-R374 PolarHBondContact O-N 3.49Å; E372-A375 PolarHBondContact O-N 2.85Å; E372-N376 VanDerWaalsContact O-CB 3.32Å; E372-N376 WeakPolarHBondContact O-CB 3.32Å; E372-N376 PolarHBondContact O-N 3.16Å |
| 373 | Y | 85.1 | Confident | 76.5 | Confident | 64 Ų | 64 | 102.3 Ų | 102.3 | 25% | 0.251 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.8 | 179.7 | -111.6 | 0 | 0 | 0 | 112.9 | N304 E305 A369 K377 | N304-Y373 HydrophobicContact CB-CE2 4.39Å; N304-Y373 VanDerWaalsContact O-CD2 3.31Å; N304-Y373 WeakPolarHBondContact O-CD2 3.23Å; N304-Y373 VanDerWaalsContact O-CE2 3.23Å; N304-Y373 WeakPolarHBondContact O-CE2 3.27Å; E305-Y373 HydrophobicContact CB-CE1 4.36Å; E305-Y373 HydrophobicContact CG-CE1 4.25Å; A369-Y373 WeakPolarHBondContact O-CB 3.39Å; A369-Y373 PolarHBondContact O-N 3.23Å; Y373-K377 VanDerWaalsContact O-CB 3.26Å; Y373-K377 WeakPolarHBondContact O-CB 3.18Å; Y373-K377 PolarHBondContact O-N 3.49Å |
| 374 | R | 83.3 | Confident | 74.5 | Confident | 155 Ų | 155 | 104.7 Ų | 104.7 | 59% | 0.585 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.1 | -51.5 | 172.8 | -73.8 | 166.8 | -172.3 | -169.4 | 2.8 | 111 | L370 S371 E372 N376 K377 N378 | L370-R374 WeakPolarHBondContact O-CB 3.49Å; L370-R374 WeakPolarHBondContact O-CD 3.32Å; L370-R374 WeakPolarHBondContact O-CG 3.26Å; L370-R374 PolarHBondContact O-N 3.33Å; L370-R374 VanDerWaalsContact O-N 3.07Å; S371-R374 PolarHBondContact O-N 3.12Å; E372-R374 PolarHBondContact O-N 3.49Å; R374-N376 PolarHBondContact O-N 2.97Å; R374-K377 PolarHBondContact O-N 3Å; R374-N378 PolarHBondContact O-N 3.35Å; R374-N378 PolarHBondContact O-OD1 3.49Å; R374-N378 VanDerWaalsContact O-OD1 3.12Å |
| 375 | A | 83.1 | Confident | 72.2 | Confident | 56 Ų | 56 | 104 Ų | 104 | 46% | 0.463 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.1 | -49.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S371 E372 K377 N378 S379 | S371-A375 WeakPolarHBondContact O-CB 3.45Å; S371-A375 PolarHBondContact O-N 3.46Å; E372-A375 PolarHBondContact O-N 2.85Å; A375-K377 VanDerWaalsContact C-N 3.31Å; A375-K377 PolarHBondContact O-N 3.42Å; A375-N378 CarbonylContact O-C 3.59Å; A375-N378 WeakPolarHBondContact O-CB 3.39Å; A375-N378 PolarHBondContact O-N 3.38Å; A375-N378 VanDerWaalsContact O-N 3.1Å; A375-S379 PolarHBondContact O-N 3.1Å; A375-S379 PolarHBondContact O-OG 3.4Å |
| 376 | N | 79.6 | Confident | 70 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 60% | 0.604 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -31 | -178.8 | -156.8 | 50.1 | 0 | 0 | 0 | 112.8 | E372 R374 S379 | E372-N376 VanDerWaalsContact O-CB 3.32Å; E372-N376 WeakPolarHBondContact O-CB 3.32Å; E372-N376 PolarHBondContact O-N 3.16Å; R374-N376 PolarHBondContact O-N 2.97Å; N376-S379 PolarHBondContact O-N 2.57Å |
| 377 | K | 79 | Confident | 67.6 | Low | 145 Ų | 145 | 114.2 Ų | 114.2 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -69 | -40.7 | 170.4 | -178.9 | 176.5 | 178.4 | -178.1 | 0 | 112 | Y373 R374 A375 S379 Q380 | Y373-K377 VanDerWaalsContact O-CB 3.26Å; Y373-K377 WeakPolarHBondContact O-CB 3.18Å; Y373-K377 PolarHBondContact O-N 3.49Å; R374-K377 PolarHBondContact O-N 3Å; A375-K377 VanDerWaalsContact C-N 3.31Å; A375-K377 PolarHBondContact O-N 3.42Å; K377-S379 PolarHBondContact O-N 3.01Å; K377-Q380 PolarHBondContact O-N 3.42Å; K377-Q380 VanDerWaalsContact O-N 3.16Å |
| 378 | N | 68.8 | Low | 65.2 | Low | 137 Ų | 137 | 115.6 Ų | 115.6 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.7 | -24.6 | 174.3 | -85.1 | 82 | 0 | 0 | 0 | 112.8 | R374 A375 Q380 | R374-N378 PolarHBondContact O-N 3.35Å; R374-N378 PolarHBondContact O-OD1 3.49Å; R374-N378 VanDerWaalsContact O-OD1 3.12Å; A375-N378 CarbonylContact O-C 3.59Å; A375-N378 WeakPolarHBondContact O-CB 3.39Å; A375-N378 PolarHBondContact O-N 3.38Å; A375-N378 VanDerWaalsContact O-N 3.1Å; N378-Q380 VanDerWaalsContact C-N 3.32Å |
| 379 | S | 65.1 | Low | 62.5 | Low | 100 Ų | 100 | 118.4 Ų | 118.4 | 70% | 0.699 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -3.8 | 171.6 | -57.1 | 0 | 0 | 0 | 0 | 114.8 | A375 N376 K377 | A375-S379 PolarHBondContact O-N 3.1Å; A375-S379 PolarHBondContact O-OG 3.4Å; N376-S379 PolarHBondContact O-N 2.57Å; K377-S379 PolarHBondContact O-N 3.01Å |
| 380 | Q | 57 | Low | 60.1 | Low | 173 Ų | 173 | 122.7 Ų | 122.7 | 81% | 0.808 | 66% | 0.658 | S | S | * | * | | | trans | -109.9 | 47.8 | -175.6 | -159.2 | 177 | 66.9 | 0 | 0 | 113.6 | K377 N378 | K377-Q380 PolarHBondContact O-N 3.42Å; K377-Q380 VanDerWaalsContact O-N 3.16Å; N378-Q380 VanDerWaalsContact C-N 3.32Å |
| 381 | A | 41.3 | Very low | 57.5 | Low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -157.4 | 132.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 382 | P | 48.9 | Very low | 55.8 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 69% | 0.692 | S | S | * | * | | | cis | -118.5 | 148.4 | -27.6 | 36.4 | -23.4 | 0 | 0 | 0 | 112.2 | | |
| 383 | I | 43.6 | Very low | 53.6 | Low | 161 Ų | 161 | 128.4 Ų | 128.4 | 83% | 0.826 | 71% | 0.707 | S | S | * | * | | | trans | -87.3 | 127.4 | 159.2 | -63.7 | 174.7 | 0 | 0 | 0 | 106.6 | V385 | I383-V385 PolarHBondContact O-N 2.8Š|
| 384 | E | 44.3 | Very low | 51.7 | Low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | trans | -62.3 | 117.1 | 174.8 | -70.9 | -166.5 | 132.8 | 0 | 0 | 110.7 | M386 | E384-M386 PolarHBondContact O-N 3.43Š|
| 385 | V | 41.4 | Very low | 49.4 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | -81.7 | 94.3 | 163.1 | 180 | 0 | 0 | 0 | 0 | 106.7 | I383 E387 | I383-V385 PolarHBondContact O-N 2.8Å; V385-E387 PolarHBondContact O-N 3.31Å |
| 386 | M | 41 | Very low | 47.3 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | -52.6 | 121.8 | 172.3 | -94.7 | -174.3 | 158.8 | 0 | 0 | 110.4 | E384 T388 | E384-M386 PolarHBondContact O-N 3.43Å; M386-T388 PolarHBondContact O-N 2.92Å; M386-T388 PolarHBondContact O-OG1 3.08Å |
| 387 | E | 37.6 | Very low | 45.8 | Very low | 198 Ų | 198 | 130.9 Ų | 130.9 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -65.6 | 102 | -178.4 | -171.6 | 161.8 | 88.4 | 0 | 0 | 110.3 | V385 | V385-E387 PolarHBondContact O-N 3.31Š|
| 388 | T | 35.2 | Very low | 43.8 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | | | trans | -90.7 | 106.4 | -178.8 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | M386 P390 | M386-T388 PolarHBondContact O-N 2.92Å; M386-T388 PolarHBondContact O-OG1 3.08Å; T388-P390 WeakPolarHBondContact O-CD 3.18Å |
| 389 | E | 33.7 | Very low | 42.8 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | | | trans | -56.7 | 127.5 | -178.2 | -170.9 | -155.8 | 115.7 | 0 | 0 | 113.4 | S391 | E389-S391 WeakPolarHBondContact OE1-CB 3.46Å; E389-S391 PolarHBondContact OE1-OG 3.31Å |
| 390 | P | 36.6 | Very low | 42.3 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -110.6 | 90.5 | 171 | 36.2 | -25.3 | 0 | 0 | 0 | 112.9 | T388 | T388-P390 WeakPolarHBondContact O-CD 3.18Š|
| 391 | S | 31.3 | Very low | 42.2 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 59% | 0.594 | 78% | 0.776 | S | S | * | * | | | trans | -85.1 | 166.7 | 167.2 | -78.7 | 0 | 0 | 0 | 0 | 112.1 | E389 | E389-S391 WeakPolarHBondContact OE1-CB 3.46Å; E389-S391 PolarHBondContact OE1-OG 3.31Å |
| 392 | P | 49.5 | Very low | 42 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | | -137.7 | 177.5 | -59.3 | 40.1 | -23.8 | 0 | 0 | 0 | 113.4 | | |
| 393 | P | 40.6 | Very low | 41.4 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -106.8 | 164.9 | 161.5 | -0.3 | 22.5 | 0 | 0 | 0 | 114.1 | | |
| 394 | P | 45.3 | Very low | 40.9 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -115.7 | 158.8 | -152.6 | 40.6 | -33.8 | 0 | 0 | 0 | 119 | | |
| 395 | A | 33.7 | Very low | 40.5 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | 65.1 | 147.6 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 396 | A | 40.1 | Very low | 40 | Very low | 91 Ų | 91 | 124.8 Ų | 124.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | cis | -168.9 | -164.7 | -10.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 397 | P | 46.9 | Very low | 39.7 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | cis | -117.2 | -172.3 | -32 | 36.7 | -19.2 | 0 | 0 | 0 | 112.9 | | |
| 398 | A | 38.3 | Very low | 39.3 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | -87.8 | 169.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 399 | P | 47.1 | Very low | 39.2 | Very low | 126 Ų | 126 | 119.5 Ų | 119.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -140.4 | 174.2 | 98.8 | 33.3 | -15.9 | 0 | 0 | 0 | 116.5 | | |
| 400 | P | 53.8 | Low | 39.1 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -123.9 | -156.9 | -164.8 | 42.1 | -25.1 | 0 | 0 | 0 | 113.8 | | |
| 401 | P | 55.9 | Low | 39.6 | Very low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | -134.7 | 162 | -47.5 | 31 | -12.5 | 0 | 0 | 0 | 115.7 | | |
| 402 | V | 38 | Very low | 39.7 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -151.2 | 106.8 | 153.8 | -164.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 403 | V | 35.2 | Very low | 39.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | | 54.2 | 116 | 89.8 | -171.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 404 | T | 33.8 | Very low | 39 | Very low | 133 Ų | 133 | 124 Ų | 124 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | | -166.9 | 159.7 | 92.3 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 405 | Q | 34.3 | Very low | 38.3 | Very low | 184 Ų | 184 | 129.3 Ų | 129.3 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -87.6 | -178.6 | -179 | -57.7 | 166.3 | 17 | 0 | 0 | 110.9 | | |
| 406 | A | 32.3 | Very low | 38 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -152.3 | -172.6 | 17.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 407 | S | 33.5 | Very low | 37.7 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | cis | -154.6 | 178.2 | 20.3 | 55.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 408 | T | 30.8 | Very low | 37.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | trans | -76 | 162.9 | -176.8 | 46.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 409 | S | 32.2 | Very low | 36.7 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | | -166.3 | -179.4 | 51.8 | 57.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 410 | N | 32.7 | Very low | 36 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | -138.1 | 161.4 | -174.2 | -152.1 | -6.8 | 0 | 0 | 0 | 107.5 | | |
| 411 | P | 46.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | | -153.1 | 174.7 | 80.4 | 40.4 | -20.7 | 0 | 0 | 0 | 117.2 | | |
| 412 | R | 33.5 | Very low | 34.7 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -103.2 | 170 | 172.6 | -152.6 | -165 | -167.6 | 178.6 | 7.2 | 111.3 | | |
| 413 | P | 45.3 | Very low | 34.5 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | | -139.3 | 174.2 | 118.5 | 35.8 | -22.4 | 0 | 0 | 0 | 115.9 | | |
| 414 | S | 29.8 | Very low | 34.7 | Very low | 91 Ų | 91 | 150.4 Ų | 150.4 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | | | trans | -70.1 | 168.4 | -175.1 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 415 | R | 30.4 | Very low | 35.1 | Very low | 230 Ų | 230 | 149.9 Ų | 149.9 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | cis | -149.3 | -162.6 | 36.1 | -128.6 | 163.2 | 167.8 | 142.3 | -3.2 | 109.3 | | |
| 416 | S | 28.4 | Very low | 35.2 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | cis | -153.1 | -174.2 | 7.5 | -143 | 0 | 0 | 0 | 0 | 113.1 | | |
| 417 | Q | 33.9 | Very low | 35.6 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | trans | -91.8 | 140.8 | 173 | -79 | -90.8 | 21 | 0 | 0 | 112.5 | | |
| 418 | H | 33.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 151.6 Ų | 151.6 | 89% | 0.889 | 80% | 0.796 | S | S | * | * | | | trans | -163 | 154.1 | 139.8 | -116.5 | 67 | 0 | 0 | 0 | 113.4 | | |
| 419 | Y | 29 | Very low | 36.1 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -150.6 | 109.9 | -178.6 | 174.2 | -87.6 | 0 | 0 | 0 | 110.7 | | |
| 420 | N | 33.4 | Very low | 36 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | | | trans | -166.8 | 157.1 | 146.4 | -121.3 | -102.7 | 0 | 0 | 0 | 110.6 | | |
| 421 | P | 47.5 | Very low | 36 | Very low | 103 Ų | 103 | 151.7 Ų | 151.7 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | -117.8 | 103.8 | -174.2 | 35.8 | -19.2 | 0 | 0 | 0 | 113 | | |
| 422 | E | 34.7 | Very low | 35.4 | Very low | 189 Ų | 189 | 151.3 Ų | 151.3 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -158.6 | 95.8 | 170.5 | -129.9 | 169.1 | -147.8 | 0 | 0 | 111 | | |
| 423 | E | 33.4 | Very low | 35.6 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | trans | 179.7 | 82.3 | 155 | -106.5 | 179.7 | 156 | 0 | 0 | 110 | | |
| 424 | N | 39.6 | Very low | 35.4 | Very low | 166 Ų | 166 | 151 Ų | 151 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -150.2 | 58.2 | 158.2 | -148.3 | 3.3 | 0 | 0 | 0 | 109.6 | | |
| 425 | T | 42.4 | Very low | 35.8 | Very low | 122 Ų | 122 | 153 Ų | 153 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -114.6 | 149 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 107.3 | | |
| 426 | I | 36.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 150.4 Ų | 150.4 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 76.7 | 105.3 | -165.8 | -49.1 | 158.5 | 0 | 0 | 0 | 109.9 | | |
| 427 | T | 39.7 | Very low | 36 | Very low | 114 Ų | 114 | 152 Ų | 152 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | cis | -140 | 126.8 | 10.3 | -51.2 | 0 | 0 | 0 | 0 | 111 | I429 | T427-I429 HydrophobicContact CG2-CG1 4.43Š|
| 428 | N | 35.7 | Very low | 36 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 81% | 0.809 | S | S | * | * | | | trans | -142.2 | 80.3 | 165.6 | -165 | -3.9 | 0 | 0 | 0 | 109.1 | | |
| 429 | I | 38.6 | Very low | 36.4 | Very low | 141 Ų | 141 | 148.6 Ų | 148.6 | 72% | 0.723 | 80% | 0.804 | S | S | * | * | | | trans | -134.7 | 146.4 | -177.1 | -52.9 | -179.7 | 0 | 0 | 0 | 106.9 | T427 | T427-I429 HydrophobicContact CG2-CG1 4.43Š|
| 430 | C | 31.9 | Very low | 36.5 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 92.5 | 36.5 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 431 | T | 32.4 | Very low | 36.5 | Very low | 139 Ų | 139 | 146.6 Ų | 146.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | -150.1 | 91.7 | 147.8 | -3.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 432 | S | 33.7 | Very low | 35.9 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -166.9 | 108.7 | 159.8 | -84 | 0 | 0 | 0 | 0 | 111 | | |
| 433 | N | 36.7 | Very low | 35.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | | | trans | 164 | 109.7 | 141.2 | -88.3 | -33.8 | 0 | 0 | 0 | 110.5 | | |
| 434 | I | 42.1 | Very low | 35.8 | Very low | 171 Ų | 171 | 145.7 Ų | 145.7 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | | -177.2 | 138.4 | 119.5 | -92.4 | 157.1 | 0 | 0 | 0 | 109 | | |
| 435 | I | 37.7 | Very low | 35.3 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | | | trans | -85.8 | 143.3 | -166.4 | -63.8 | 151.8 | 0 | 0 | 0 | 111.1 | | |
| 436 | L | 32.3 | Very low | 35.1 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | | | trans | -152.8 | 127.4 | 132.5 | -137.8 | 71.3 | 0 | 0 | 0 | 112.1 | | |
| 437 | D | 31.6 | Very low | 34.9 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | | | trans | -73.9 | 150.1 | -179.6 | -96.7 | -83.1 | 0 | 0 | 0 | 113.6 | | |
| 438 | L | 32.6 | Very low | 34.5 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | | | trans | -138.1 | 116.8 | 160 | -145.7 | 77.7 | 0 | 0 | 0 | 109.4 | | |
| 439 | P | 42.6 | Very low | 34.3 | Very low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82 | 125.9 | -165.4 | 30.2 | -35.1 | 0 | 0 | 0 | 113.6 | | |
| 440 | H | 30.6 | Very low | 34.3 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 142.4 | 169.8 | -168.1 | -83.5 | 0 | 0 | 0 | 112.4 | T442 | H440-T442 PolarHBondContact ND1-OG1 2.72Š|
| 441 | V | 33.2 | Very low | 35.3 | Very low | 131 Ų | 131 | 144.7 Ų | 144.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 118.1 | -175.3 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 442 | T | 34.8 | Very low | 36 | Very low | 110 Ų | 110 | 144.2 Ų | 144.2 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | | | trans | -137.9 | 101.9 | 177.2 | -53.7 | 0 | 0 | 0 | 0 | 114.1 | H440 | H440-T442 PolarHBondContact ND1-OG1 2.72Š|
| 443 | T | 34.7 | Very low | 36.2 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 21.1 | 107 | 150.6 | 60.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 444 | R | 32.7 | Very low | 36.6 | Very low | 239 Ų | 239 | 142 Ų | 142 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | | 33.2 | 108.1 | 113.1 | 179.2 | -174.3 | 168.1 | 167.2 | -3.6 | 119.1 | | |
| 445 | S | 29.3 | Very low | 36.3 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | | -169.8 | 129.5 | 128.5 | -124.1 | 0 | 0 | 0 | 0 | 116 | | |
| 446 | R | 37 | Very low | 36.7 | Very low | 232 Ų | 232 | 137.8 Ų | 137.8 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | | 34.1 | 138.6 | 128.7 | -93.2 | -178.4 | -173.4 | -162 | 2.1 | 120.9 | | |
| 447 | T | 33.5 | Very low | 36.9 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | cis | -161.5 | 140.4 | 18.2 | -39.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 448 | G | 31.5 | Very low | 37.5 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 84.3 | 154.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 449 | A | 30.2 | Very low | 37.8 | Very low | 96 Ų | 96 | 130.4 Ų | 130.4 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | | | cis | -163.5 | 130.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 450 | K | 40 | Very low | 37.5 | Very low | 208 Ų | 208 | 130.5 Ų | 130.5 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | 72.4 | 161 | 144.9 | -80.4 | -158.4 | 169.2 | -176.5 | 0 | 122.4 | | |
| 451 | P | 52.8 | Low | 37.7 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 71% | 0.708 | 79% | 0.793 | S | S | * | * | | | trans | -130.4 | -165.3 | -146 | 43.9 | -25.9 | 0 | 0 | 0 | 115.4 | | |
| 452 | P | 46.3 | Very low | 38.5 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | | -138.8 | 177.6 | 101 | 40 | -28.5 | 0 | 0 | 0 | 115.4 | | |
| 453 | A | 37.5 | Very low | 38.7 | Very low | 91 Ų | 91 | 129.6 Ų | 129.6 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | | | trans | -127.9 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 454 | P | 45.9 | Very low | 38.5 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 87% | 0.87 | 80% | 0.797 | S | S | * | * | | | | -142.9 | -177.8 | 98 | 37.8 | -21.8 | 0 | 0 | 0 | 115.7 | | |
| 455 | A | 36.4 | Very low | 38.4 | Very low | 92 Ų | 92 | 124 Ų | 124 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -101 | -165.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 456 | P | 44.5 | Very low | 38.5 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | cis | -140.4 | -179.6 | 7.7 | 43.9 | -24.4 | 0 | 0 | 0 | 118.1 | | |
| 457 | S | 38.5 | Very low | 38.1 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | -73.4 | 169.8 | 166.4 | -29.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 458 | P | 42.6 | Very low | 38.1 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -149.4 | -176.1 | 69.1 | 40.8 | -20.5 | 0 | 0 | 0 | 116.5 | | |
| 459 | A | 40.2 | Very low | 38.2 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -87.6 | 161.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 460 | P | 36.1 | Very low | 38.5 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | | -150.2 | -178.6 | 105.3 | 40.1 | -23.3 | 0 | 0 | 0 | 115.9 | | |
| 461 | N | 34.8 | Very low | 38.2 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -103.7 | 179.4 | 172.5 | 7 | -95.5 | 0 | 0 | 0 | 110.9 | | |
| 462 | P | 50.3 | Low | 37.1 | Very low | 109 Ų | 109 | 128.9 Ų | 128.9 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | | | cis | -125.6 | -160.6 | -30.1 | 40.8 | -24.4 | 0 | 0 | 0 | 110.9 | | |
| 463 | P | 37.8 | Very low | 36.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | | | trans | -142 | 167.2 | 143.9 | 39 | -25.6 | 0 | 0 | 0 | 116.1 | | |
| 464 | T | 31.2 | Very low | 35.8 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -140.4 | 121.6 | -168.1 | -64 | 0 | 0 | 0 | 0 | 113.7 | | |
| 465 | V | 30.2 | Very low | 35.2 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | | | trans | 76.2 | 151.3 | 149.4 | 171 | 0 | 0 | 0 | 0 | 122.3 | | |
| 466 | T | 31 | Very low | 35.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | 75.4 | 128.2 | 166.8 | 28.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 467 | K | 28.7 | Very low | 35.3 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 74% | 0.739 | 77% | 0.77 | S | S | * | * | | | | -174.8 | 156.4 | 52.2 | -126.8 | 165.1 | -169.2 | 171.9 | 0 | 112.3 | | |
| 468 | I | 33.6 | Very low | 34.9 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -162.1 | 149.3 | 135.1 | -100.5 | 151.1 | 0 | 0 | 0 | 108.2 | | |
| 469 | I | 34.2 | Very low | 34.4 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -138.8 | 138.4 | -173.2 | -63.2 | 170.2 | 0 | 0 | 0 | 109.1 | | |
| 470 | I | 37.1 | Very low | 34.1 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | | | trans | -130.9 | 164.5 | 171.4 | -61.1 | -175.8 | 0 | 0 | 0 | 110.2 | | |
| 471 | K | 33.2 | Very low | 33.8 | Very low | 171 Ų | 171 | 135 Ų | 135 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -122.1 | 163.5 | -158.8 | -90.7 | -163.9 | 170.8 | -145.6 | 0 | 112.4 | | |
| 472 | Q | 30 | Very low | 33.6 | Very low | 136 Ų | 136 | 135 Ų | 135 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | | | cis | -170.5 | 173.5 | -9.5 | 179.4 | -177.5 | -80 | 0 | 0 | 107.7 | | |
| 473 | M | 26 | Very low | 32.6 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | 81.4 | 153.3 | 174.1 | -51.6 | 178.3 | 57.5 | 0 | 0 | 113.4 | | |
| 474 | L | 29.2 | Very low | 32.1 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | | | cis | -143.3 | 163.4 | 18.9 | -178.8 | 62.7 | 0 | 0 | 0 | 113 | | |
| 475 | L | 33 | Very low | 32.1 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -147.2 | 172 | 171.3 | -96.3 | 106.3 | 0 | 0 | 0 | 107.9 | | |
| 476 | P | 51.9 | Low | 32.1 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | cis | -135.9 | -154.9 | -1.2 | 41.6 | -21.8 | 0 | 0 | 0 | 114.1 | | |
| 477 | S | 31.3 | Very low | 32.1 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | 100.5 | 140.5 | 156.4 | -153.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 478 | G | 31.2 | Very low | 32.3 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | cis | 165.3 | 151 | -10.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 479 | G | 31.3 | Very low | 32.2 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | 86 | 165.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 480 | M | 33.3 | Very low | 33 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 94% | 0.941 | 78% | 0.782 | S | S | * | * | | | cis | -166.9 | 169.5 | -31.5 | -120 | 163.5 | 91.8 | 0 | 0 | 110 | | |
| 481 | S | 31.7 | Very low | 32.7 | Very low | 107 Ų | 107 | 131 Ų | 131 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | -59.3 | 167.1 | -174.7 | -47.2 | 0 | 0 | 0 | 0 | 115.6 | | |
| 482 | I | 30 | Very low | 32.7 | Very low | 150 Ų | 150 | 130 Ų | 130 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | | -169.7 | 159 | 63.8 | 48.8 | 176.3 | 0 | 0 | 0 | 114 | | |
| 483 | T | 30 | Very low | 33.6 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | 23.6 | 147.3 | 152.8 | 54.3 | 0 | 0 | 0 | 0 | 122.3 | | |
| 484 | S | 26.7 | Very low | 34.5 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | cis | -157.6 | 168.5 | 39.5 | 58 | 0 | 0 | 0 | 0 | 116.9 | | |
| 485 | T | 30.9 | Very low | 36.3 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | | | trans | -35.2 | 154.1 | 167.8 | 52 | 0 | 0 | 0 | 0 | 117.1 | | |
| 486 | T | 30.8 | Very low | 36.5 | Very low | 139 Ų | 139 | 125.5 Ų | 125.5 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | cis | -126.1 | -153.9 | 35.2 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 487 | A | 30.5 | Very low | 35.8 | Very low | 97 Ų | 97 | 128.1 Ų | 128.1 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | cis | -150.4 | -138.7 | 11.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 488 | S | 31.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | -132.1 | 154.4 | -157.5 | 53.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 489 | S | 32.5 | Very low | 36.4 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | trans | -100 | -158.3 | 174.7 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 490 | P | 51 | Low | 36.8 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | -143.7 | -176.6 | -8.8 | 40.4 | -19.8 | 0 | 0 | 0 | 118.3 | | |
| 491 | R | 30.9 | Very low | 36.7 | Very low | 214 Ų | 214 | 133.3 Ų | 133.3 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | | | trans | 89.1 | 122 | 143.2 | -100.8 | -167.1 | -171.1 | -137.4 | 9.4 | 125.1 | | |
| 492 | Q | 32.3 | Very low | 36.9 | Very low | 148 Ų | 148 | 134.2 Ų | 134.2 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 74.8 | 144.8 | 138.5 | -84.4 | -175.6 | -87.7 | 0 | 0 | 125.1 | | |
| 493 | P | 49.7 | Very low | 38 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | | | trans | -105.6 | -160.3 | 171.6 | 47.5 | -39.1 | 0 | 0 | 0 | 111.2 | | |
| 494 | P | 45.1 | Very low | 39.1 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | | | cis | -133.3 | -107.5 | 9.4 | 28.2 | 2.1 | 0 | 0 | 0 | 118.6 | | |
| 495 | P | 67 | Low | 40.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -127.5 | 165 | -137.8 | 42.1 | -23 | 0 | 0 | 0 | 118.4 | | |
| 496 | L | 36.2 | Very low | 41.2 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 84% | 0.838 | 75% | 0.754 | S | S | * | * | | | trans | -159.2 | 141.7 | 157.4 | -84 | 173.6 | 0 | 0 | 0 | 106.6 | | |
| 497 | Q | 38.3 | Very low | 41.3 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | cis | 90.1 | 128.8 | 22.3 | -161.4 | 174.6 | 102.3 | 0 | 0 | 116 | | |
| 498 | Q | 39.3 | Very low | 41.3 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | 114.1 | 129.1 | 148.4 | -146.7 | 165.8 | 31.8 | 0 | 0 | 120.4 | | |
| 499 | M | 36.3 | Very low | 41.4 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | 8.9 | 147.3 | 157.4 | -55.5 | -171.8 | -52.5 | 0 | 0 | 123.1 | | |
| 500 | Q | 38.6 | Very low | 41.5 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | | | | -157.1 | 156.5 | 99.3 | -162.8 | 49.8 | 32.8 | 0 | 0 | 112.9 | | |
| 501 | N | 32.3 | Very low | 40.6 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 67% | 0.674 | 73% | 0.734 | S | S | * | * | | | trans | -90.1 | 170.1 | -174.5 | -74.1 | -68.8 | 0 | 0 | 0 | 115.3 | | |
| 502 | T | 34.8 | Very low | 41.5 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | | | trans | -58.4 | -176.2 | 163 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 503 | P | 53.3 | Low | 42.4 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | | | cis | -123.5 | -126 | -3.3 | 31.9 | -6.1 | 0 | 0 | 0 | 110.1 | | |
| 504 | P | 52.7 | Low | 42.8 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | | | cis | -124.6 | -101.2 | -25.2 | 24.4 | 2.4 | 0 | 0 | 0 | 119.2 | | |
| 505 | P | 50.7 | Low | 42.2 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | | -137.2 | -148.6 | -126.6 | 50.5 | -29.1 | 0 | 0 | 0 | 117.3 | | |
| 506 | P | 52 | Low | 40.6 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | | -142.3 | -166.3 | -111.3 | 44.9 | -21.7 | 0 | 0 | 0 | 117.8 | | |
| 507 | R | 31.1 | Very low | 40.5 | Very low | 221 Ų | 221 | 135.4 Ų | 135.4 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -154 | 142.3 | 153.3 | -100 | -149.8 | 156.4 | -177 | -6.8 | 109.4 | | |
| 508 | L | 31.4 | Very low | 40.2 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | | | cis | 66.1 | 138.4 | 49.7 | -56.6 | 174.3 | 0 | 0 | 0 | 112.3 | | |
| 509 | Q | 34.7 | Very low | 40.3 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 75% | 0.753 | S | S | * | * | | | cis | -167.6 | 171.3 | 6.4 | -114.4 | 167.2 | -81.2 | 0 | 0 | 106.6 | | |
| 510 | Q | 34.3 | Very low | 40.2 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -166.4 | 168.2 | -1 | 174.4 | 165.9 | -37.1 | 0 | 0 | 109.4 | | |
| 511 | A | 31.8 | Very low | 39.7 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 65% | 0.645 | 77% | 0.768 | S | S | * | * | | | trans | -137.1 | 174.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 512 | P | 49 | Very low | 39.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | cis | -118.1 | -132.6 | -6.5 | 35.9 | -13 | 0 | 0 | 0 | 108.8 | | |
| 513 | P | 51.5 | Low | 39.3 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | cis | -122.8 | -98.9 | -19.7 | 22.1 | 5.1 | 0 | 0 | 0 | 118.4 | | |
| 514 | P | 58.7 | Low | 38.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | trans | -132.8 | 164.7 | -133.9 | 42.3 | -23.6 | 0 | 0 | 0 | 119.1 | | |
| 515 | L | 31.6 | Very low | 37.4 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | | -173.3 | 174.5 | 128 | -103.5 | 172.8 | 0 | 0 | 0 | 113.4 | | |
| 516 | Q | 34.4 | Very low | 36.6 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | | | trans | -83.9 | 149.6 | -162.1 | -58.3 | 158.7 | -19 | 0 | 0 | 116 | | |
| 517 | A | 33.4 | Very low | 35.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | trans | -166.3 | 153.6 | 141.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 518 | K | 33 | Very low | 35.9 | Very low | 197 Ų | 197 | 127.4 Ų | 127.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -143.3 | 125 | 174.2 | 176 | 78.5 | 167.9 | -171.6 | 0 | 108.2 | | |
| 519 | P | 40.8 | Very low | 36.2 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | | | | -143.9 | -177.3 | 127.8 | 34.1 | -16.6 | 0 | 0 | 0 | 115 | | |
| 520 | R | 33.5 | Very low | 36.9 | Very low | 249 Ų | 249 | 124.1 Ų | 124.1 | 94% | 0.94 | 81% | 0.814 | S | S | * | * | | | trans | -81.6 | 144.1 | -167.7 | 172.2 | 171.6 | 70.6 | 176.4 | 4.3 | 114.5 | | |
| 521 | G | 28.2 | Very low | 37.6 | Very low | 75 Ų | 75 | 122 Ų | 122 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | | | trans | 173.2 | 132.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 522 | G | 29.8 | Very low | 38.4 | Very low | 89 Ų | 89 | 123.9 Ų | 123.9 | 92% | 0.918 | 82% | 0.82 | S | S | * | * | | | trans | -95 | 172.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 523 | G | 29.8 | Very low | 37.9 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | | | trans | 165.9 | 145.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 524 | A | 34.8 | Very low | 37.2 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | | | trans | -90 | 146.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 525 | A | 31.2 | Very low | 36.3 | Very low | 93 Ų | 93 | 132.4 Ų | 132.4 | 77% | 0.769 | 84% | 0.838 | S | S | * | * | | | trans | -154.3 | 118.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 526 | A | 33.3 | Very low | 36.2 | Very low | 107 Ų | 107 | 133.2 Ų | 133.2 | 88% | 0.884 | 84% | 0.835 | S | S | * | * | | | | 68.7 | 105.8 | 73.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 527 | A | 35.7 | Very low | 36.5 | Very low | 105 Ų | 105 | 131 Ų | 131 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | | | trans | -127 | 142.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 528 | T | 33.3 | Very low | 36.4 | Very low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 136.6 | -159.5 | -52 | 0 | 0 | 0 | 0 | 113.6 | | |
| 529 | A | 37.4 | Very low | 36.4 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 69% | 0.694 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 147 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 530 | P | 49.6 | Very low | 35.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 161 | 173.7 | 31.3 | -34.9 | 0 | 0 | 0 | 112.8 | | |
| 531 | P | 49.7 | Very low | 35.7 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 145.9 | -163.1 | 32.8 | -36.5 | 0 | 0 | 0 | 115.1 | | |
| 532 | P | 48.4 | Very low | 35.9 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80 | 150.2 | 169 | 33.3 | -34.4 | 0 | 0 | 0 | 112.5 | | |
| 533 | L | 38.7 | Very low | 35.9 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 134.5 | 174.9 | -65 | 171.1 | 0 | 0 | 0 | 111 | | |
| 534 | Q | 35.4 | Very low | 36.2 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 83% | 0.825 | S | S | * | * | | | trans | -91.8 | 115.4 | -176.8 | -64.4 | -176.6 | 0.1 | 0 | 0 | 112.1 | | |
| 535 | I | 39.5 | Very low | 35.9 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -99.7 | 121.3 | 159.1 | -61 | 178.3 | 0 | 0 | 0 | 107.3 | | |
| 536 | K | 29.8 | Very low | 36.2 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 78% | 0.783 | 82% | 0.818 | S | S | * | * | | | trans | -110.1 | 98.8 | -166.8 | -176.1 | 174.9 | 178.4 | 176.1 | 0 | 111.2 | | |
| 537 | V | 40.9 | Very low | 36 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -95.2 | 138.9 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 109 | | |
| 538 | V | 30.9 | Very low | 35.8 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 64% | 0.642 | 81% | 0.811 | S | S | * | * | | | trans | -114.8 | 123.6 | -173.9 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 539 | P | 34.8 | Very low | 36.5 | Very low | 118 Ų | 118 | 140 Ų | 140 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 141.2 | 165.7 | 33.3 | -31.8 | 0 | 0 | 0 | 110.6 | | |
| 540 | S | 27.8 | Very low | 36.1 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 134.5 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 541 | S | 31.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 147 | -177.6 | -56.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 542 | R | 31.8 | Very low | 34.2 | Very low | 250 Ų | 250 | 144 Ų | 144 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 136.9 | 171.4 | -179.8 | 178 | 177.1 | 174.6 | -0.3 | 109.9 | | |
| 543 | Q | 30.6 | Very low | 33.2 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | | | trans | -120.3 | 163.8 | 175.6 | -161.5 | 167.2 | -3.2 | 0 | 0 | 111 | | |
| 544 | Q | 34.3 | Very low | 32.7 | Very low | 183 Ų | 183 | 141.1 Ų | 141.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | | | trans | -148.3 | 131.7 | -157.1 | 172.3 | -173.1 | 38.9 | 0 | 0 | 110.9 | | |
| 545 | D | 29.3 | Very low | 32.3 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -174.2 | 159.2 | 166.8 | -150.2 | -105.1 | 0 | 0 | 0 | 108.8 | | |
| 546 | S | 36.9 | Very low | 31.8 | Very low | 103 Ų | 103 | 133 Ų | 133 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | cis | -155.4 | 168.1 | -48.6 | 63.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 547 | G | 29.3 | Very low | 31.7 | Very low | 74 Ų | 74 | 132.1 Ų | 132.1 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | 144.5 | 124.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 548 | T | 31 | Very low | 31.1 | Very low | 137 Ų | 137 | 130.2 Ų | 130.2 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -136.1 | -171.5 | 173.8 | 62.2 | 0 | 0 | 0 | 0 | 108 | | |
| 549 | P | 49.9 | Very low | 31 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | cis | -136.2 | -168.9 | -2.9 | 29.2 | -3.7 | 0 | 0 | 0 | 114.6 | | |
| 550 | I | 28.6 | Very low | 30.7 | Very low | 139 Ų | 139 | 130.1 Ų | 130.1 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | | 153.2 | 109.3 | 128.7 | -80.1 | 172.3 | 0 | 0 | 0 | 116.5 | | |
| 551 | I | 29.7 | Very low | 30.7 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | 72.1 | 110.4 | 133.9 | -62 | -177.3 | 0 | 0 | 0 | 124.5 | | |
| 552 | V | 28.5 | Very low | 30.6 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | | | | 58 | 132.8 | 126 | -171.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 553 | T | 27 | Very low | 30.4 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | | -168.6 | 160.1 | 84 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 554 | A | 29.3 | Very low | 30.3 | Very low | 95 Ų | 95 | 120.8 Ų | 120.8 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -88.2 | -171.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 555 | A | 27.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 117.3 Ų | 117.3 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | cis | -147.6 | 176.2 | 7.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 556 | G | 27.6 | Very low | 31.3 | Very low | 76 Ų | 76 | 116 Ų | 116 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | | | | 78.3 | 140.7 | 75.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 557 | D | 27.5 | Very low | 30.9 | Very low | 162 Ų | 162 | 114.5 Ų | 114.5 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | | | cis | -167 | 168.9 | -3.2 | -179.4 | -128 | 0 | 0 | 0 | 110.6 | | |
| 558 | A | 29.3 | Very low | 30.7 | Very low | 92 Ų | 92 | 117.8 Ų | 117.8 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | | | trans | 62.9 | 162.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 559 | G | 27.5 | Very low | 30.4 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | cis | 166.6 | 159.5 | -11.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 560 | N | 29.2 | Very low | 29.5 | Very low | 150 Ų | 150 | 117.6 Ų | 117.6 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | 74.8 | 109.8 | 159.2 | -85.9 | 25.4 | 0 | 0 | 0 | 125.3 | | |
| 561 | T | 27.9 | Very low | 29.4 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | | | | 59 | 135.3 | 126.9 | 60.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 562 | L | 30.5 | Very low | 29.4 | Very low | 149 Ų | 149 | 118.6 Ų | 118.6 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | | | | 149.4 | 150.1 | 91.5 | -130.3 | 153.6 | 0 | 0 | 0 | 114.6 | | |
| 563 | T | 26.2 | Very low | 29.2 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 94 | 144.3 | 153.9 | -8.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 564 | S | 28.7 | Very low | 29.5 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -138.3 | 163.1 | 176.5 | -167.3 | 0 | 0 | 0 | 0 | 107.7 | | |
| 565 | P | 50.7 | Low | 30.7 | Very low | 111 Ų | 111 | 119.1 Ų | 119.1 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | | | | -164.2 | 172.1 | 91.2 | 43 | -22.3 | 0 | 0 | 0 | 119.3 | | |
| 566 | S | 33.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | | | trans | 61.6 | 155.6 | 149.7 | -59.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 567 | G | 28.4 | Very low | 30.9 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | cis | 159.1 | 169.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 568 | V | 26.6 | Very low | 30.9 | Very low | 144 Ų | 144 | 119.8 Ų | 119.8 | 87% | 0.873 | 76% | 0.763 | S | S | * | * | | | trans | 82.3 | 163.6 | 164.8 | 177.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 569 | T | 25.2 | Very low | 31.1 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | | | | -164.9 | 169.2 | -117.4 | 39.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 570 | V | 29.6 | Very low | 31.6 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | 95.1 | 135.2 | 140.8 | 138.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 571 | E | 27.1 | Very low | 31.8 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | trans | 57.9 | 161.1 | 154.6 | -79.3 | -171.4 | 69.9 | 0 | 0 | 123.6 | | |
| 572 | V | 29.8 | Very low | 31.8 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | cis | -166.9 | 162.1 | -34.8 | 101.2 | 0 | 0 | 0 | 0 | 110 | | |
| 573 | G | 24.6 | Very low | 31.9 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 155.6 | 130 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 574 | Q | 32.6 | Very low | 31.9 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -152.5 | 155 | 166.8 | -139.7 | -175.5 | 16.8 | 0 | 0 | 108.5 | | |
| 575 | P | 55.5 | Low | 32.1 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | | | | -142.3 | -164 | 85.3 | 39.3 | -19.1 | 0 | 0 | 0 | 111.7 | | |
| 576 | D | 25.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 127.2 Ų | 127.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | cis | -154.5 | -175.8 | 22.2 | -142.6 | -68.2 | 0 | 0 | 0 | 114.2 | | |
| 577 | A | 32.6 | Very low | 30.8 | Very low | 70 Ų | 70 | 130.2 Ų | 130.2 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | | | trans | -66.7 | 173.5 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 578 | V | 29.1 | Very low | 30.9 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | cis | -151.7 | 151.8 | 44.1 | -122.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 579 | V | 33.2 | Very low | 31.1 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | | | cis | 76 | 127.3 | 28 | 169.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 580 | M | 37 | Very low | 31.6 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | | | cis | -166.4 | 174.6 | 4.3 | -122.6 | 31.8 | 179 | 0 | 0 | 107.8 | | |
| 581 | A | 33.2 | Very low | 31.6 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | cis | -176.4 | 169.6 | -35.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 582 | G | 28.2 | Very low | 32 | Very low | 75 Ų | 75 | 134.2 Ų | 134.2 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | 142.9 | 127.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 583 | E | 32.3 | Very low | 32.3 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | cis | 99 | 105.5 | 19.2 | -167.4 | -179.9 | 132.8 | 0 | 0 | 115.3 | | |
| 584 | E | 26.4 | Very low | 32.8 | Very low | 192 Ų | 192 | 138.8 Ų | 138.8 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | | -171.5 | 175.5 | 126.1 | 59.3 | -169.9 | 138.6 | 0 | 0 | 111.6 | | |
| 585 | V | 33.7 | Very low | 33.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -143.1 | 137.9 | -167.3 | -180 | 0 | 0 | 0 | 0 | 111.3 | | |
| 586 | A | 29.9 | Very low | 32.1 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -152.9 | 157.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 587 | E | 27.1 | Very low | 32.9 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | | | trans | -108.7 | 171.6 | 178.5 | -63.5 | 177.4 | 79.4 | 0 | 0 | 112.3 | | |
| 588 | A | 29.1 | Very low | 32.8 | Very low | 90 Ų | 90 | 141.9 Ų | 141.9 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | | | trans | 90.9 | 159.5 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 589 | E | 31.3 | Very low | 32.8 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 89% | 0.888 | 80% | 0.802 | S | S | * | * | | | trans | 79.6 | 150.2 | 163.6 | -65.5 | -68.5 | 77.7 | 0 | 0 | 121.6 | | |
| 590 | E | 35.8 | Very low | 32.9 | Very low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | | | trans | -100.7 | 149.7 | -167.8 | 176.4 | -176.5 | 116.5 | 0 | 0 | 111.7 | | |
| 591 | G | 30.4 | Very low | 32.6 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | trans | 106.8 | -178.9 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 592 | M | 33.8 | Very low | 32.9 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | 67.6 | 93.6 | -179 | -153 | 143.9 | -146.9 | 0 | 0 | 117.2 | | |
| 593 | E | 37.9 | Very low | 33 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -49.9 | 138.1 | 154.6 | 63.1 | -140.9 | 105 | 0 | 0 | 112.8 | | |
| 594 | V | 34.3 | Very low | 33.1 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | | | trans | -136.6 | 110.2 | 165.9 | -74.4 | 0 | 0 | 0 | 0 | 110.1 | V596 | V594-V596 HydrophobicContact CB-CG2 4.43Å; V594-V596 PolarHBondContact O-N 3.38Å |
| 595 | E | 42.4 | Very low | 33.6 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -74.9 | 111.2 | 174.8 | -170.7 | -173.7 | 146.1 | 0 | 0 | 109.7 | | |
| 596 | V | 31.3 | Very low | 33.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | | | trans | -132.2 | 103.8 | 176.1 | -164.9 | 0 | 0 | 0 | 0 | 110.1 | V594 V598 | V594-V596 HydrophobicContact CB-CG2 4.43Å; V594-V596 PolarHBondContact O-N 3.38Å; V596-V598 HydrophobicContact CG1-CG2 3.91Å; V596-V598 PolarHBondContact O-N 3.36Å |
| 597 | N | 42.8 | Very low | 34.5 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | trans | -71.3 | 110.7 | 176.9 | -179.2 | 14.4 | 0 | 0 | 0 | 110.8 | | |
| 598 | V | 30.7 | Very low | 35.7 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | | | trans | -134.8 | 131.7 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | V596 | V596-V598 HydrophobicContact CG1-CG2 3.91Å; V596-V598 PolarHBondContact O-N 3.36Å |
| 599 | T | 28.6 | Very low | 37.1 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | | | trans | -14.8 | 140.1 | 157 | -48.5 | 0 | 0 | 0 | 0 | 116.2 | G601 | T599-G601 PolarHBondContact O-N 3.05Š|
| 600 | P | 35.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | -60.8 | 101.1 | 178.8 | 26 | -36.1 | 0 | 0 | 0 | 112.6 | | |
| 601 | G | 29.8 | Very low | 41.4 | Very low | 56 Ų | 56 | 119.9 Ų | 119.9 | 58% | 0.577 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 160.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T599 S603 | T599-G601 PolarHBondContact O-N 3.05Å; G601-S603 PolarHBondContact O-N 3.5Å; G601-S603 VanDerWaalsContact O-N 3.15Å |
| 602 | P | 40.3 | Very low | 44.3 | Very low | 131 Ų | 131 | 121.3 Ų | 121.3 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 120.8 | -177.7 | 25.9 | -34.1 | 0 | 0 | 0 | 110.3 | V604 | P602-V604 PolarHBondContact O-N 2.9Å; P602-V604 VanDerWaalsContact O-N 3.13Å |
| 603 | S | 30.2 | Very low | 47.2 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 118.9 | 173.7 | 54.8 | 0 | 0 | 0 | 0 | 109.3 | G601 T605 | G601-S603 PolarHBondContact O-N 3.5Å; G601-S603 VanDerWaalsContact O-N 3.15Å; S603-T605 PolarHBondContact O-N 3.26Å |
| 604 | V | 33.7 | Very low | 49.8 | Very low | 144 Ų | 144 | 108.2 Ų | 108.2 | 87% | 0.873 | 67% | 0.673 | S | S | * | * | | | trans | -54.5 | 111 | 175.2 | -81.1 | 0 | 0 | 0 | 0 | 109.6 | P602 A606 | P602-V604 PolarHBondContact O-N 2.9Å; P602-V604 VanDerWaalsContact O-N 3.13Å; V604-A606 PolarHBondContact O-N 2.88Å |
| 605 | T | 38.3 | Very low | 52.5 | Low | 122 Ų | 122 | 105.3 Ų | 105.3 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | | | trans | -61.3 | 108.6 | -179.3 | -43.9 | 0 | 0 | 0 | 0 | 108.4 | S603 A607 | S603-T605 PolarHBondContact O-N 3.26Å; T605-A607 PolarHBondContact O-N 3.4Å |
| 606 | A | 37.5 | Very low | 54.6 | Low | 83 Ų | 83 | 100.1 Ų | 100.1 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | | | trans | -51.2 | 127.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | V604 Q608 | V604-A606 PolarHBondContact O-N 2.88Å; A606-Q608 VanDerWaalsContact C-N 3.26Å; A606-Q608 PolarHBondContact O-N 2.97Å |
| 607 | A | 44.3 | Very low | 57.3 | Low | 106 Ų | 106 | 99 Ų | 99 | 88% | 0.876 | 65% | 0.651 | S | S | * | * | | | trans | -67.2 | 84.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T605 A609 | T605-A607 PolarHBondContact O-N 3.4Å; A607-A609 PolarHBondContact O-N 3.41Å |
| 608 | Q | 51.7 | Low | 59.6 | Low | 149 Ų | 149 | 92.4 Ų | 92.4 | 70% | 0.696 | 62% | 0.617 | S | S | * | * | | | trans | -56.8 | 128.4 | 172 | -66.2 | -176 | 0.1 | 0 | 0 | 107.3 | A606 | A606-Q608 VanDerWaalsContact C-N 3.26Å; A606-Q608 PolarHBondContact O-N 2.97Å |
| 609 | A | 59.7 | Low | 62.5 | Low | 76 Ų | 76 | 93.9 Ų | 93.9 | 63% | 0.628 | 62% | 0.621 | S | S | * | * | | | trans | -52.4 | 137.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | A607 N611 | A607-A609 PolarHBondContact O-N 3.41Å; A609-N611 PolarHBondContact O-N 3.28Å |
| 610 | P | 71.7 | Confident | 65.5 | Low | 100 Ų | 100 | 94.3 Ų | 94.3 | 65% | 0.649 | 61% | 0.613 | S | S | * | * | | | trans | -58.6 | 115.2 | -178.2 | 23.9 | -33.2 | 0 | 0 | 0 | 108.4 | I612 | P610-I612 WeakPolarHBondContact O-CG1 3.48Å; P610-I612 PolarHBondContact O-N 2.85Å |
| 611 | N | 84.7 | Confident | 68.2 | Low | 84 Ų | 84 | 92.3 Ų | 92.3 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | | | trans | -62.2 | 108 | 175 | -65.7 | -61 | 0 | 0 | 0 | 107 | A609 P621 A622 | A609-N611 PolarHBondContact O-N 3.28Å; N611-P621 CarbonylContact O-C 3.52Å; N611-P621 WeakPolarHBondContact O-CA 3.24Å; N611-A622 PolarHBondContact O-N 3.1Å |
| 612 | I | 91.8 | Very high | 71.2 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 49% | 0.492 | 58% | 0.579 | S | S | . | * | B | Isolated β-bridge | trans | -88.8 | 145.1 | 179.5 | -70.1 | 160.4 | 0 | 0 | 0 | 108.2 | P610 V614 C618 | P610-I612 WeakPolarHBondContact O-CG1 3.48Å; P610-I612 PolarHBondContact O-N 2.85Å; I612-V614 PolarHBondContact O-N 3.39Å; I612-C618 VanDerWaalsContact CG2-O 3.3Å; I612-C618 WeakPolarHBondContact CG2-O 3.34Å |
| 613 | C | 93.9 | Very high | 73.6 | Confident | 5 Ų | 5 | 87.4 Ų | 87.4 | 3% | 0.034 | 56% | 0.558 | C | S | . | * | | | trans | -50.2 | 125.9 | 176.8 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | R615 C618 K620 E631 C633 | C613-R615 PolarHBondContact O-N 3.29Å; C613-C618 HydrophobicContact CB-CB 3.94Å; C613-K620 WeakPolarHBondContact CB-O 3.36Å; C613-K620 PolarHBondContact N-O 3.27Å; C613-E631 CarbonylContact C-O 3.59Å; C613-E631 WeakPolarHBondContact CA-O 3.31Å; C613-C633 HydrophobicContact CB-CB 3.97Å; C613-C633 PolarHBondContact SG-N 2.92Å; C613-C633 VanDerWaalsContact SG-N 3.43Å; C613-C633 VanDerWaalsContact SG-SG 3.66Å |
| 614 | V | 92.9 | Very high | 76.4 | Confident | 73 Ų | 73 | 89.5 Ų | 89.5 | 44% | 0.442 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -59.4 | -19.2 | 179.7 | 170 | 0 | 0 | 0 | 0 | 112.8 | I612 A616 E631 Y632 | I612-V614 PolarHBondContact O-N 3.39Å; V614-A616 PolarHBondContact O-N 2.94Å; V614-A616 VanDerWaalsContact O-N 3.11Å; V614-E631 HydrophobicContact CG2-CB 3.98Å; V614-E631 HydrophobicContact CG2-CG 4.41Å; V614-E631 WeakPolarHBondContact CG2-O 3.45Å; V614-E631 PolarHBondContact N-O 3.43Å; V614-Y632 HydrophobicContact CB-CE1 4.03Å; V614-Y632 HydrophobicContact CG1-CE1 4.35Å |
| 615 | R | 90.6 | Very high | 78.9 | Confident | 57 Ų | 57 | 84 Ų | 84 | 22% | 0.215 | 52% | 0.524 | C | S | . | . | S | Bend | trans | -60.6 | 113.4 | 172.7 | 175 | 168.2 | -174.8 | 65.8 | 11.6 | 111.1 | C613 G617 C618 C637 T640 H641 D644 | C613-R615 PolarHBondContact O-N 3.29Å; R615-G617 PolarHBondContact O-N 2.98Å; R615-C618 HydrophobicContact CB-CB 3.93Å; R615-C618 HydrophobicContact CG-CB 4.06Å; R615-C618 VanDerWaalsContact O-CB 3.23Å; R615-C618 WeakPolarHBondContact O-CB 3.41Å; R615-C618 PolarHBondContact O-N 2.91Å; R615-C637 HydrophobicContact CB-CB 4.15Å; R615-T640 VanDerWaalsContact CZ-CG2 3.47Å; R615-T640 PolarHBondContact NH1-O 2.84Å; R615-H641 HydrophobicContact CB-CB 4.49Å; R615-D644 IonicContact CZ-OD2 2.91Å; R615-D644 IonicContact NH1-OD2 3.11Å; R615-D644 PolarHBondContact NH1-OD2 2.99Å; R615-D644 IonicContact NH2-OD2 2.74Å; R615-D644 PolarHBondContact NH2-OD2 3.02Å; R615-D644 VanDerWaalsContact NH2-OD2 3.11Å |
| 616 | A | 87.4 | Confident | 81.3 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | 129 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V614 C618 | V614-A616 PolarHBondContact O-N 2.94Å; V614-A616 VanDerWaalsContact O-N 3.11Å; A616-C618 VanDerWaalsContact C-N 3.32Å |
| 617 | G | 88.3 | Confident | 83.7 | Confident | 87 Ų | 87 | 90.2 Ų | 90.2 | 90% | 0.897 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -3.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.4 | R615 | R615-G617 PolarHBondContact O-N 2.98Š|
| 618 | C | 91.4 | Very high | 85.6 | Confident | 21 Ų | 21 | 86.8 Ų | 86.8 | 14% | 0.142 | 50% | 0.499 | C | S | . | . | | | trans | -97 | 114.9 | 172.6 | -165.6 | 0 | 0 | 0 | 0 | 111 | I612 C613 R615 A616 C633 | I612-C618 VanDerWaalsContact CG2-O 3.3Å; I612-C618 WeakPolarHBondContact CG2-O 3.34Å; C613-C618 HydrophobicContact CB-CB 3.94Å; R615-C618 HydrophobicContact CB-CB 3.93Å; R615-C618 HydrophobicContact CG-CB 4.06Å; R615-C618 VanDerWaalsContact O-CB 3.23Å; R615-C618 WeakPolarHBondContact O-CB 3.41Å; R615-C618 PolarHBondContact O-N 2.91Å; A616-C618 VanDerWaalsContact C-N 3.32Å; C618-C633 PolarHBondContact SG-SG 3.16Å |
| 619 | N | 91.3 | Very high | 87.2 | Confident | 141 Ų | 141 | 86.4 Ų | 86.4 | 75% | 0.754 | 50% | 0.501 | S | S | * | . | | | trans | -97.9 | 12 | 178.1 | 69.5 | -42.9 | 0 | 0 | 0 | 113.7 | | |
| 620 | K | 91.3 | Very high | 88.7 | Confident | 127 Ų | 127 | 86.7 Ų | 86.7 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -78.2 | 145.8 | 177.5 | -67.5 | 178 | -180 | -69 | 0 | 110.3 | C613 C633 | C613-K620 WeakPolarHBondContact CB-O 3.36Å; C613-K620 PolarHBondContact N-O 3.27Å; K620-C633 HydrophobicContact CB-CB 3.62Å; K620-C633 HydrophobicContact CD-CB 4.44Å |
| 621 | P | 91.4 | Very high | 89.6 | Confident | 85 Ų | 85 | 86.6 Ų | 86.6 | 55% | 0.552 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -60.9 | 139.6 | 169.2 | 28.7 | -34.8 | 0 | 0 | 0 | 109.7 | N611 C633 | N611-P621 CarbonylContact O-C 3.52Å; N611-P621 WeakPolarHBondContact O-CA 3.24Å; P621-C633 WeakPolarHBondContact O-CB 3.38Å |
| 622 | A | 92.9 | Very high | 90.1 | Very high | 18 Ų | 18 | 83.5 Ų | 83.5 | 15% | 0.149 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -71 | 150.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | N611 K630 | N611-A622 PolarHBondContact O-N 3.1Å; A622-K630 WeakPolarHBondContact CB-O 3.34Å |
| 623 | V | 91.1 | Very high | 90.2 | Very high | 66 Ų | 66 | 79.9 Ų | 79.9 | 40% | 0.4 | 44% | 0.444 | S | S | . | . | | | trans | -112.3 | 145.4 | -176.3 | -60.4 | 0 | 0 | 0 | 0 | 111 | S625 W628 K630 Y632 | V623-S625 PolarHBondContact O-N 3.33Å; V623-W628 HydrophobicContact CG2-CZ2 4.27Å; V623-W628 PolarHBondContact O-NE1 3.2Å; V623-K630 WeakPolarHBondContact O-CA 3.47Å; V623-Y632 WeakPolarHBondContact CG2-O 3.28Å; V623-Y632 PolarHBondContact N-O 3.06Å |
| 624 | E | 89.1 | Confident | 90.1 | Very high | 152 Ų | 152 | 81.5 Ų | 81.5 | 71% | 0.71 | 46% | 0.456 | S | S | * | . | | | trans | -65.8 | 126.1 | 173 | -168.6 | 148.8 | -150 | 0 | 0 | 109.8 | K630 | E624-K630 HydrophobicContact CB-CG 4.08Å; E624-K630 VanDerWaalsContact CG-CE 3.43Å; E624-K630 HydrophobicContact CG-CG 4.37Å; E624-K630 WeakPolarHBondContact OE1-CE 3.47Å; E624-K630 IonicContact OE1-NZ 2.87Å; E624-K630 PolarHBondContact OE1-NZ 2.93Å; E624-K630 WeakPolarHBondContact OE2-CE 3.47Å; E624-K630 IonicContact OE2-NZ 3.4Å; E624-K630 PolarHBondContact OE2-NZ 2.94Å |
| 625 | S | 86.1 | Confident | 90.2 | Very high | 28 Ų | 28 | 82.9 Ų | 82.9 | 20% | 0.196 | 46% | 0.461 | C | S | . | . | | | trans | -156 | 137.2 | -178.8 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | V623 D627 W628 D629 | V623-S625 PolarHBondContact O-N 3.33Å; S625-D627 PolarHBondContact O-N 2.86Å; S625-W628 PolarHBondContact O-N 2.92Å; S625-W628 WeakPolarHBondContact OG-CH2 3.45Å; S625-W628 WeakPolarHBondContact OG-CZ2 3.45Å; S625-D629 PolarHBondContact O-N 3.17Å |
| 626 | E | 88.6 | Confident | 90.4 | Very high | 200 Ų | 200 | 87.3 Ų | 87.3 | 94% | 0.935 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -20.4 | -179.6 | -163.8 | 169.4 | 111.7 | 0 | 0 | 112.7 | | |
| 627 | D | 88.3 | Confident | 90.7 | Very high | 136 Ų | 136 | 83.8 Ų | 83.8 | 73% | 0.727 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -19.1 | 177.2 | -68.4 | -62.3 | 0 | 0 | 0 | 114.5 | S625 | S625-D627 PolarHBondContact O-N 2.86Š|
| 628 | W | 84.4 | Confident | 91 | Very high | 34 Ų | 34 | 80.9 Ų | 80.9 | 13% | 0.129 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -156.2 | 20.9 | -169 | 66.5 | 71.9 | 0 | 0 | 0 | 117.6 | V623 S625 K630 E631 Y632 N635 V638 | V623-W628 HydrophobicContact CG2-CZ2 4.27Å; V623-W628 PolarHBondContact O-NE1 3.2Å; S625-W628 PolarHBondContact O-N 2.92Å; S625-W628 WeakPolarHBondContact OG-CH2 3.45Å; S625-W628 WeakPolarHBondContact OG-CZ2 3.45Å; W628-K630 VanDerWaalsContact C-N 3.33Å; W628-K630 PolarHBondContact O-N 3.27Å; W628-E631 WeakPolarHBondContact O-CB 3.49Å; W628-E631 PolarHBondContact O-N 3.29Å; W628-Y632 HydrophobicContact CB-CD2 3.85Å; W628-Y632 HydrophobicContact CB-CE2 4.3Å; W628-Y632 AromaticContact CD1-CD2 3.9Å; W628-Y632 AromaticContact CG-CD2 3.9Å; W628-Y632 HydrophobicContact CG-CD2 3.9Å; W628-Y632 PolarHBondContact NE1-O 3Å; W628-Y632 VanDerWaalsContact NE1-O 3.14Å; W628-N635 HydrophobicContact CH2-CB 3.96Å; W628-N635 HydrophobicContact CZ3-CB 4.22Å; W628-V638 HydrophobicContact CD2-CG2 3.72Å; W628-V638 HydrophobicContact CE3-CG2 3.75Å; W628-V638 HydrophobicContact CG-CG2 4.09Å; W628-V638 HydrophobicContact CZ3-CG2 4.33Å |
| 629 | D | 85 | Confident | 91.2 | Very high | 140 Ų | 140 | 82.2 Ų | 82.2 | 75% | 0.749 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.4 | 44.1 | 158.9 | -72.9 | -48.9 | 0 | 0 | 0 | 117.2 | S625 E631 | S625-D629 PolarHBondContact O-N 3.17Å; D629-E631 VanDerWaalsContact C-N 3.33Å; D629-E631 PolarHBondContact O-N 3.41Å |
| 630 | K | 89.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 76.9 Ų | 76.9 | 36% | 0.361 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66 | 24.6 | 178.9 | -51.6 | 170.2 | -172.7 | -176 | 0 | 115.1 | A622 V623 E624 W628 | A622-K630 WeakPolarHBondContact CB-O 3.34Å; V623-K630 WeakPolarHBondContact O-CA 3.47Å; E624-K630 HydrophobicContact CB-CG 4.08Å; E624-K630 VanDerWaalsContact CG-CE 3.43Å; E624-K630 HydrophobicContact CG-CG 4.37Å; E624-K630 WeakPolarHBondContact OE1-CE 3.47Å; E624-K630 IonicContact OE1-NZ 2.87Å; E624-K630 PolarHBondContact OE1-NZ 2.93Å; E624-K630 WeakPolarHBondContact OE2-CE 3.47Å; E624-K630 IonicContact OE2-NZ 3.4Å; E624-K630 PolarHBondContact OE2-NZ 2.94Å; W628-K630 VanDerWaalsContact C-N 3.33Å; W628-K630 PolarHBondContact O-N 3.27Å |
| 631 | E | 91.9 | Very high | 91.6 | Very high | 97 Ų | 97 | 73 Ų | 73 | 45% | 0.453 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -85.5 | -27.3 | 173.3 | -67.7 | -165.2 | 152.6 | 0 | 0 | 114.1 | C613 V614 W628 D629 | C613-E631 CarbonylContact C-O 3.59Å; C613-E631 WeakPolarHBondContact CA-O 3.31Å; V614-E631 HydrophobicContact CG2-CB 3.98Å; V614-E631 HydrophobicContact CG2-CG 4.41Å; V614-E631 WeakPolarHBondContact CG2-O 3.45Å; V614-E631 PolarHBondContact N-O 3.43Å; W628-E631 WeakPolarHBondContact O-CB 3.49Å; W628-E631 PolarHBondContact O-N 3.29Å; D629-E631 VanDerWaalsContact C-N 3.33Å; D629-E631 PolarHBondContact O-N 3.41Å |
| 632 | Y | 94.4 | Very high | 91.7 | Very high | 20 Ų | 20 | 72.3 Ų | 72.3 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | | | trans | -131.6 | 149.1 | -172.3 | -52.3 | -93.8 | 0 | 0 | 0 | 113.2 | V614 V623 W628 V638 H641 | V614-Y632 HydrophobicContact CB-CE1 4.03Å; V614-Y632 HydrophobicContact CG1-CE1 4.35Å; V623-Y632 WeakPolarHBondContact CG2-O 3.28Å; V623-Y632 PolarHBondContact N-O 3.06Å; W628-Y632 HydrophobicContact CB-CD2 3.85Å; W628-Y632 HydrophobicContact CB-CE2 4.3Å; W628-Y632 AromaticContact CD1-CD2 3.9Å; W628-Y632 AromaticContact CG-CD2 3.9Å; W628-Y632 HydrophobicContact CG-CD2 3.9Å; W628-Y632 PolarHBondContact NE1-O 3Å; W628-Y632 VanDerWaalsContact NE1-O 3.14Å; Y632-V638 HydrophobicContact CD1-CG2 4.13Å; Y632-V638 HydrophobicContact CD2-CG2 3.63Å; Y632-V638 HydrophobicContact CE2-CG2 4.39Å; Y632-V638 HydrophobicContact CG-CB 4.34Å; Y632-V638 HydrophobicContact CG-CG2 3.5Å; Y632-V638 VanDerWaalsContact CG-CG2 3.5Å; Y632-H641 HydrophobicContact CE1-CB 3.9Å; Y632-H641 AromaticContact CE1-CD2 3.75Å; Y632-H641 AromaticContact CE1-CG 3.93Å; Y632-H641 AromaticContact CZ-CD2 3.94Å; Y632-H641 PolarHBondContact OH-CD2 3.46Å; Y632-H641 VanDerWaalsContact OH-CD2 3.29Å |
| 633 | C | 93.4 | Very high | 91.9 | Very high | 19 Ų | 19 | 78.7 Ų | 78.7 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -85.1 | -15.7 | 179.7 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | C613 C618 K620 P621 C637 | C613-C633 HydrophobicContact CB-CB 3.97Å; C613-C633 PolarHBondContact SG-N 2.92Å; C613-C633 VanDerWaalsContact SG-N 3.43Å; C613-C633 VanDerWaalsContact SG-SG 3.66Å; C618-C633 PolarHBondContact SG-SG 3.16Å; K620-C633 HydrophobicContact CB-CB 3.62Å; K620-C633 HydrophobicContact CD-CB 4.44Å; P621-C633 WeakPolarHBondContact O-CB 3.38Å; C633-C637 PolarHBondContact SG-SG 2.86Å |
| 634 | S | 93.6 | Very high | 92.1 | Very high | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -162.6 | 155.4 | 178 | 69.5 | 0 | 0 | 0 | 0 | 111 | E636 C637 V638 | S634-E636 PolarHBondContact O-N 2.68Å; S634-C637 WeakPolarHBondContact O-CA 3.47Å; S634-C637 WeakPolarHBondContact O-CB 3.41Å; S634-C637 PolarHBondContact O-N 3.11Å; S634-C637 PolarHBondContact OG-N 3.33Å; S634-C637 PolarHBondContact OG-SG 3.14Å; S634-C637 VanDerWaalsContact OG-SG 3.4Å; S634-V638 PolarHBondContact O-N 3.16Å; S634-V638 VanDerWaalsContact O-N 3.16Å |
| 635 | N | 93.9 | Very high | 92.4 | Very high | 102 Ų | 102 | 75.6 Ų | 75.6 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.1 | -35.3 | 174.2 | -168.5 | -43.7 | 0 | 0 | 0 | 111.7 | W628 C637 V638 A639 | W628-N635 HydrophobicContact CH2-CB 3.96Å; W628-N635 HydrophobicContact CZ3-CB 4.22Å; N635-C637 VanDerWaalsContact C-N 3.28Å; N635-C637 PolarHBondContact O-N 3.46Å; N635-V638 WeakPolarHBondContact O-CB 3.18Å; N635-V638 PolarHBondContact O-N 2.98Å; N635-V638 VanDerWaalsContact O-N 3.14Å; N635-A639 WeakPolarHBondContact O-CB 3.48Å; N635-A639 PolarHBondContact O-N 3.2Å |
| 636 | E | 94.3 | Very high | 92.8 | Very high | 149 Ų | 149 | 79.6 Ų | 79.6 | 70% | 0.696 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.4 | -38.4 | 172.2 | -170.8 | -171 | 161.8 | 0 | 0 | 112.6 | S634 T640 | S634-E636 PolarHBondContact O-N 2.68Å; E636-T640 VanDerWaalsContact O-CB 3.31Å; E636-T640 WeakPolarHBondContact O-CB 3.49Å; E636-T640 PolarHBondContact O-N 3.05Å; E636-T640 PolarHBondContact O-OG1 3.3Å |
| 637 | C | 94.5 | Very high | 93.1 | Very high | 14 Ų | 14 | 74.9 Ų | 74.9 | 10% | 0.095 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -70.7 | -36.8 | 175.8 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | R615 C633 S634 N635 H641 | R615-C637 HydrophobicContact CB-CB 4.15Å; C633-C637 PolarHBondContact SG-SG 2.86Å; S634-C637 WeakPolarHBondContact O-CA 3.47Å; S634-C637 WeakPolarHBondContact O-CB 3.41Å; S634-C637 PolarHBondContact O-N 3.11Å; S634-C637 PolarHBondContact OG-N 3.33Å; S634-C637 PolarHBondContact OG-SG 3.14Å; S634-C637 VanDerWaalsContact OG-SG 3.4Å; N635-C637 VanDerWaalsContact C-N 3.28Å; N635-C637 PolarHBondContact O-N 3.46Å; C637-H641 WeakPolarHBondContact O-CB 3.4Å; C637-H641 PolarHBondContact O-N 3.42Å |
| 638 | V | 95.1 | Very high | 93.4 | Very high | 27 Ų | 27 | 71 Ų | 71 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.1 | -61.3 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | W628 Y632 S634 N635 T640 H641 C642 | W628-V638 HydrophobicContact CD2-CG2 3.72Å; W628-V638 HydrophobicContact CE3-CG2 3.75Å; W628-V638 HydrophobicContact CG-CG2 4.09Å; W628-V638 HydrophobicContact CZ3-CG2 4.33Å; Y632-V638 HydrophobicContact CD1-CG2 4.13Å; Y632-V638 HydrophobicContact CD2-CG2 3.63Å; Y632-V638 HydrophobicContact CE2-CG2 4.39Å; Y632-V638 HydrophobicContact CG-CB 4.34Å; Y632-V638 HydrophobicContact CG-CG2 3.5Å; Y632-V638 VanDerWaalsContact CG-CG2 3.5Å; S634-V638 PolarHBondContact O-N 3.16Å; S634-V638 VanDerWaalsContact O-N 3.16Å; N635-V638 WeakPolarHBondContact O-CB 3.18Å; N635-V638 PolarHBondContact O-N 2.98Å; N635-V638 VanDerWaalsContact O-N 3.14Å; V638-T640 VanDerWaalsContact C-N 3.27Å; V638-T640 PolarHBondContact O-N 3.11Å; V638-H641 PolarHBondContact O-N 3.14Å; V638-C642 PolarHBondContact O-N 2.91Å; V638-C642 PolarHBondContact O-SG 2.74Å |
| 639 | A | 95.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 75.3 Ų | 75.3 | 40% | 0.397 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.3 | -38.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N635 R643 | N635-A639 WeakPolarHBondContact O-CB 3.48Å; N635-A639 PolarHBondContact O-N 3.2Å; A639-R643 WeakPolarHBondContact O-CB 2.98Å; A639-R643 PolarHBondContact O-N 3.11Å; A639-R643 VanDerWaalsContact O-N 3.1Å |
| 640 | T | 94.9 | Very high | 94.3 | Very high | 29 Ų | 29 | 70.9 Ų | 70.9 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -78.3 | -35.4 | 177.9 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | R615 E636 V638 R643 D644 | R615-T640 VanDerWaalsContact CZ-CG2 3.47Å; R615-T640 PolarHBondContact NH1-O 2.84Å; E636-T640 VanDerWaalsContact O-CB 3.31Å; E636-T640 WeakPolarHBondContact O-CB 3.49Å; E636-T640 PolarHBondContact O-N 3.05Å; E636-T640 PolarHBondContact O-OG1 3.3Å; V638-T640 VanDerWaalsContact C-N 3.27Å; V638-T640 PolarHBondContact O-N 3.11Å; T640-R643 WeakPolarHBondContact O-CB 3.09Å; T640-R643 PolarHBondContact O-N 3.05Å; T640-D644 PolarHBondContact O-N 2.93Å |
| 641 | H | 95.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 69.8 Ų | 69.8 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 171.8 | -179.6 | 69.1 | 0 | 0 | 0 | 111.5 | R615 Y632 C637 V638 R643 D644 V645 | R615-H641 HydrophobicContact CB-CB 4.49Å; Y632-H641 HydrophobicContact CE1-CB 3.9Å; Y632-H641 AromaticContact CE1-CD2 3.75Å; Y632-H641 AromaticContact CE1-CG 3.93Å; Y632-H641 AromaticContact CZ-CD2 3.94Å; Y632-H641 PolarHBondContact OH-CD2 3.46Å; Y632-H641 VanDerWaalsContact OH-CD2 3.29Å; C637-H641 WeakPolarHBondContact O-CB 3.4Å; C637-H641 PolarHBondContact O-N 3.42Å; V638-H641 PolarHBondContact O-N 3.14Å; H641-R643 VanDerWaalsContact C-N 3.28Å; H641-R643 PolarHBondContact O-N 3.32Å; H641-D644 PolarHBondContact O-N 2.93Å; H641-D644 VanDerWaalsContact O-N 3.16Å; H641-V645 WeakPolarHBondContact O-CG2 2.93Å; H641-V645 PolarHBondContact O-N 3.13Å |
| 642 | C | 95 | Very high | 94.4 | Very high | 71 Ų | 71 | 70.5 Ų | 70.5 | 48% | 0.48 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.2 | -39.2 | 173.9 | -63.1 | 0 | 0 | 0 | 0 | 112.2 | V638 F646 | V638-C642 PolarHBondContact O-N 2.91Å; V638-C642 PolarHBondContact O-SG 2.74Å; C642-F646 VanDerWaalsContact O-CB 3.24Å; C642-F646 WeakPolarHBondContact O-CB 3.48Å; C642-F646 PolarHBondContact O-N 3Å |
| 643 | R | 95.7 | Very high | 94.1 | Very high | 153 Ų | 153 | 76.4 Ų | 76.4 | 58% | 0.577 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 174.1 | -174.7 | -175.5 | -62.4 | 152.4 | 3.8 | 111.9 | A639 T640 H641 F646 M647 | A639-R643 WeakPolarHBondContact O-CB 2.98Å; A639-R643 PolarHBondContact O-N 3.11Å; A639-R643 VanDerWaalsContact O-N 3.1Å; T640-R643 WeakPolarHBondContact O-CB 3.09Å; T640-R643 PolarHBondContact O-N 3.05Å; H641-R643 VanDerWaalsContact C-N 3.28Å; H641-R643 PolarHBondContact O-N 3.32Å; R643-F646 PolarHBondContact O-N 2.7Å; R643-M647 HydrophobicContact CG-CG 4.41Å; R643-M647 WeakPolarHBondContact O-CB 3.15Å; R643-M647 VanDerWaalsContact O-CG 3.28Å; R643-M647 WeakPolarHBondContact O-CG 3.4Å; R643-M647 PolarHBondContact O-N 3.31Å |
| 644 | D | 95.2 | Very high | 93.3 | Very high | 73 Ų | 73 | 77.4 Ų | 77.4 | 39% | 0.39 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | -177.7 | -63.4 | -21 | 0 | 0 | 0 | 111.1 | R615 T640 H641 M647 A648 | R615-D644 IonicContact CZ-OD2 2.91Å; R615-D644 IonicContact NH1-OD2 3.11Å; R615-D644 PolarHBondContact NH1-OD2 2.99Å; R615-D644 IonicContact NH2-OD2 2.74Å; R615-D644 PolarHBondContact NH2-OD2 3.02Å; R615-D644 VanDerWaalsContact NH2-OD2 3.11Å; T640-D644 PolarHBondContact O-N 2.93Å; H641-D644 PolarHBondContact O-N 2.93Å; H641-D644 VanDerWaalsContact O-N 3.16Å; D644-M647 PolarHBondContact O-N 3.4Å; D644-A648 WeakPolarHBondContact O-CB 3.49Å; D644-A648 PolarHBondContact O-N 3.28Å |
| 645 | V | 95.5 | Very high | 91.9 | Very high | 80 Ų | 80 | 79.3 Ų | 79.3 | 49% | 0.485 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -44 | 173.1 | 172 | 0 | 0 | 0 | 0 | 111.5 | H641 A648 W649 | H641-V645 WeakPolarHBondContact O-CG2 2.93Å; H641-V645 PolarHBondContact O-N 3.13Å; V645-A648 PolarHBondContact O-N 3.12Å; V645-W649 WeakPolarHBondContact O-CB 3.23Å; V645-W649 PolarHBondContact O-N 2.97Å |
| 646 | F | 96 | Very high | 90.3 | Very high | 111 Ų | 111 | 78.9 Ų | 78.9 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 177 | 178.1 | -107.4 | 0 | 0 | 0 | 112.4 | C642 R643 W649 C650 | C642-F646 VanDerWaalsContact O-CB 3.24Å; C642-F646 WeakPolarHBondContact O-CB 3.48Å; C642-F646 PolarHBondContact O-N 3Å; R643-F646 PolarHBondContact O-N 2.7Å; F646-W649 HydrophobicContact CD2-CE3 4.11Å; F646-W649 HydrophobicContact CD2-CZ3 4.39Å; F646-W649 AromaticContact CE2-CE3 3.98Å; F646-W649 HydrophobicContact CE2-CE3 3.98Å; F646-W649 AromaticContact CE2-CZ3 3.83Å; F646-W649 HydrophobicContact CE2-CZ3 3.83Å; F646-W649 PolarHBondContact O-N 2.73Å; F646-C650 WeakPolarHBondContact O-CB 3.3Å; F646-C650 PolarHBondContact O-N 3.31Å; F646-C650 PolarHBondContact O-SG 3.42Å; F646-C650 VanDerWaalsContact O-SG 3.38Å |
| 647 | M | 94.8 | Very high | 88.5 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 50% | 0.502 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 174.8 | -72.4 | -68.1 | 102.1 | 0 | 0 | 112 | R643 D644 C650 A651 | R643-M647 HydrophobicContact CG-CG 4.41Å; R643-M647 WeakPolarHBondContact O-CB 3.15Å; R643-M647 VanDerWaalsContact O-CG 3.28Å; R643-M647 WeakPolarHBondContact O-CG 3.4Å; R643-M647 PolarHBondContact O-N 3.31Å; D644-M647 PolarHBondContact O-N 3.4Å; M647-C650 PolarHBondContact O-N 3.44Å; M647-A651 PolarHBondContact O-N 2.88Å |
| 648 | A | 94.4 | Very high | 86.6 | Confident | 54 Ų | 54 | 80.5 Ų | 80.5 | 45% | 0.446 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D644 V645 A651 I652 | D644-A648 WeakPolarHBondContact O-CB 3.49Å; D644-A648 PolarHBondContact O-N 3.28Å; V645-A648 PolarHBondContact O-N 3.12Å; A648-A651 PolarHBondContact O-N 3.43Å; A648-I652 WeakPolarHBondContact O-CG1 3.01Å; A648-I652 PolarHBondContact O-N 2.88Å |
| 649 | W | 94.9 | Very high | 84.4 | Confident | 125 Ų | 125 | 84.9 Ų | 84.9 | 47% | 0.473 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 174.1 | 176.5 | 86.9 | 0 | 0 | 0 | 112.5 | V645 F646 A651 I652 R653 | V645-W649 WeakPolarHBondContact O-CB 3.23Å; V645-W649 PolarHBondContact O-N 2.97Å; F646-W649 HydrophobicContact CD2-CE3 4.11Å; F646-W649 HydrophobicContact CD2-CZ3 4.39Å; F646-W649 AromaticContact CE2-CE3 3.98Å; F646-W649 HydrophobicContact CE2-CE3 3.98Å; F646-W649 AromaticContact CE2-CZ3 3.83Å; F646-W649 HydrophobicContact CE2-CZ3 3.83Å; F646-W649 PolarHBondContact O-N 2.73Å; W649-A651 PolarHBondContact O-N 2.97Å; W649-I652 PolarHBondContact O-N 2.77Å; W649-R653 VanDerWaalsContact CZ2-NH1 3.32Å; W649-R653 WeakPolarHBondContact O-CB 3.5Å; W649-R653 PolarHBondContact O-N 2.96Å |
| 650 | C | 93.9 | Very high | 82 | Confident | 47 Ų | 47 | 88.5 Ų | 88.5 | 32% | 0.318 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 173.7 | -79.1 | 0 | 0 | 0 | 0 | 112.4 | F646 M647 R653 G654 | F646-C650 WeakPolarHBondContact O-CB 3.3Å; F646-C650 PolarHBondContact O-N 3.31Å; F646-C650 PolarHBondContact O-SG 3.42Å; F646-C650 VanDerWaalsContact O-SG 3.38Å; M647-C650 PolarHBondContact O-N 3.44Å; C650-R653 PolarHBondContact O-N 2.95Å; C650-G654 PolarHBondContact O-N 2.71Å |
| 651 | A | 92.2 | Very high | 79.3 | Confident | 60 Ų | 60 | 97 Ų | 97 | 50% | 0.496 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M647 A648 W649 R653 G654 S655 | M647-A651 PolarHBondContact O-N 2.88Å; A648-A651 PolarHBondContact O-N 3.43Å; W649-A651 PolarHBondContact O-N 2.97Å; A651-R653 VanDerWaalsContact C-N 3.32Å; A651-R653 PolarHBondContact O-N 3.3Å; A651-G654 PolarHBondContact O-N 3.18Å; A651-S655 WeakPolarHBondContact O-CB 3.5Å; A651-S655 PolarHBondContact O-N 2.96Å; A651-S655 PolarHBondContact O-OG 3.15Å |
| 652 | I | 90.5 | Very high | 78.5 | Confident | 112 Ų | 112 | 99.6 Ų | 99.6 | 57% | 0.574 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.6 | -40.8 | 175.3 | -65.4 | 162.9 | 0 | 0 | 0 | 110.7 | A648 W649 S655 N656 | A648-I652 WeakPolarHBondContact O-CG1 3.01Å; A648-I652 PolarHBondContact O-N 2.88Å; W649-I652 PolarHBondContact O-N 2.77Å; I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.97Å; I652-N656 PolarHBondContact O-N 3.13Å; I652-N656 VanDerWaalsContact O-N 3.1Å |
| 653 | R | 88.3 | Confident | 77.7 | Confident | 143 Ų | 143 | 101.1 Ų | 101.1 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.1 | -23.2 | -178.5 | -160.9 | 171.2 | -174.9 | -171.2 | -0.7 | 114.6 | W649 C650 A651 N656 S657 | W649-R653 VanDerWaalsContact CZ2-NH1 3.32Å; W649-R653 WeakPolarHBondContact O-CB 3.5Å; W649-R653 PolarHBondContact O-N 2.96Å; C650-R653 PolarHBondContact O-N 2.95Å; A651-R653 VanDerWaalsContact C-N 3.32Å; A651-R653 PolarHBondContact O-N 3.3Å; R653-N656 WeakPolarHBondContact CA-OD1 3.34Å; R653-N656 PolarHBondContact O-OD1 2.88Å; R653-S657 PolarHBondContact O-OG 3.32Å |
| 654 | G | 75.8 | Confident | 76.7 | Confident | 40 Ų | 40 | 98.2 Ų | 98.2 | 41% | 0.412 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.4 | -49.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C650 A651 N656 S657 T658 | C650-G654 PolarHBondContact O-N 2.71Å; A651-G654 PolarHBondContact O-N 3.18Å; G654-N656 PolarHBondContact O-N 3.18Å; G654-S657 PolarHBondContact O-N 3.22Å; G654-S657 VanDerWaalsContact O-N 3.16Å; G654-T658 PolarHBondContact O-OG1 3.39Å |
| 655 | S | 64.1 | Low | 75.6 | Confident | 80 Ų | 80 | 99.7 Ų | 99.7 | 56% | 0.559 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.8 | -46.9 | -178.4 | -54.7 | 0 | 0 | 0 | 0 | 112.8 | A651 I652 S657 T658 T659 | A651-S655 WeakPolarHBondContact O-CB 3.5Å; A651-S655 PolarHBondContact O-N 2.96Å; A651-S655 PolarHBondContact O-OG 3.15Å; I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.97Å; S655-S657 VanDerWaalsContact C-N 3.26Å; S655-S657 PolarHBondContact O-N 3.29Å; S655-T658 PolarHBondContact O-N 3.33Å; S655-T659 PolarHBondContact O-OG1 3.48Å |
| 656 | N | 60.8 | Low | 74.3 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -4.1 | -177.8 | 70.3 | 19.1 | 0 | 0 | 0 | 115.1 | I652 R653 G654 | I652-N656 PolarHBondContact O-N 3.13Å; I652-N656 VanDerWaalsContact O-N 3.1Å; R653-N656 WeakPolarHBondContact CA-OD1 3.34Å; R653-N656 PolarHBondContact O-OD1 2.88Å; G654-N656 PolarHBondContact O-N 3.18Å |
| 657 | S | 57.7 | Low | 72.9 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -19.6 | 171.8 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | R653 G654 S655 | R653-S657 PolarHBondContact O-OG 3.32Å; G654-S657 PolarHBondContact O-N 3.22Å; G654-S657 VanDerWaalsContact O-N 3.16Å; S655-S657 VanDerWaalsContact C-N 3.26Å; S655-S657 PolarHBondContact O-N 3.29Å |
| 658 | T | 53.3 | Low | 71.3 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 69% | 0.687 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -89.2 | -10.2 | -176.1 | -45.9 | 0 | 0 | 0 | 0 | 113.2 | G654 S655 V660 | G654-T658 PolarHBondContact O-OG1 3.39Å; S655-T658 PolarHBondContact O-N 3.33Å; T658-V660 PolarHBondContact O-N 3.41Å |
| 659 | T | 49.3 | Very low | 69.6 | Low | 120 Ų | 120 | 103.7 Ų | 103.7 | 74% | 0.736 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -94.5 | 19.9 | -175.7 | -29.8 | 0 | 0 | 0 | 0 | 113.5 | S655 | S655-T659 PolarHBondContact O-OG1 3.48Š|
| 660 | V | 45.2 | Very low | 67.4 | Low | 123 Ų | 123 | 101.9 Ų | 101.9 | 75% | 0.745 | 62% | 0.62 | S | S | * | * | | | trans | -130.8 | 65.7 | -177.4 | -166.6 | 0 | 0 | 0 | 0 | 111.1 | T658 | T658-V660 PolarHBondContact O-N 3.41Š|
| 661 | T | 38.3 | Very low | 65 | Low | 208 Ų | 208 | 106.9 Ų | 106.9 | 100% | 1.276 | 65% | 0.647 | S | S | * | * | | | trans | -149 | 0 | 166.3 | 48.6 | 0 | 0 | 0 | 0 | 109.2 | | |