| 1 | M | 38.1 | Very low | 34.4 | Very low | 230 Ų | 230 | 140.5 Ų | 140.5 | 100% | 1.133 | 75% | 0.754 | S | S | * | * | | | | 0 | 84.2 | 0 | -68.3 | 177 | 175 | 0 | 0 | 105.3 | | |
| 2 | T | 39 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | | 90.5 | 118.6 | 83.6 | 44 | 0 | 0 | 0 | 0 | 108.6 | | |
| 3 | E | 36.7 | Very low | 34.5 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | | | cis | -135.7 | 145.4 | 15.3 | -92.2 | 144 | 179.1 | 0 | 0 | 111.1 | | |
| 4 | S | 35.5 | Very low | 34.4 | Very low | 93 Ų | 93 | 136.6 Ų | 136.6 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | | | | 74.3 | 137.3 | 58 | -47.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 5 | T | 33.2 | Very low | 34 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 71% | 0.712 | 73% | 0.733 | S | S | * | * | | | cis | -174.9 | 171.5 | -8.3 | 18.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 6 | I | 35.9 | Very low | 33.9 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | trans | 79 | 107.8 | 148.5 | -70.7 | 149.9 | 0 | 0 | 0 | 117.7 | | |
| 7 | S | 30.6 | Very low | 33.4 | Very low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | | | trans | -55.7 | 165.9 | 155.1 | 37.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 8 | Y | 31.3 | Very low | 33.2 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | | -177.2 | 127.5 | 115.9 | -115.3 | -108.7 | 0 | 0 | 0 | 113.5 | | |
| 9 | T | 33.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 64% | 0.638 | 72% | 0.724 | S | S | * | * | | | trans | 70.1 | 144.9 | 145.5 | 46.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 10 | N | 32.5 | Very low | 32.6 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | | | trans | 81.7 | 125.7 | 149.1 | -67 | -11.4 | 0 | 0 | 0 | 117.4 | | |
| 11 | L | 32.6 | Very low | 32.6 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | | | cis | -152.1 | 155.8 | 8.8 | -74.2 | 111.8 | 0 | 0 | 0 | 112.5 | | |
| 12 | I | 35 | Very low | 32.1 | Very low | 136 Ų | 136 | 127.2 Ų | 127.2 | 70% | 0.697 | 71% | 0.709 | S | S | * | * | | | trans | 52 | 127.6 | 131.4 | -64.5 | 178.8 | 0 | 0 | 0 | 118.2 | | |
| 13 | D | 34.6 | Very low | 31.6 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | | | cis | -161 | 139.4 | 9 | -117.8 | 13.5 | 0 | 0 | 0 | 112.3 | | |
| 14 | N | 33.2 | Very low | 31.1 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 62% | 0.615 | 71% | 0.711 | S | S | * | * | | | | 58.6 | 139.1 | 124.2 | -62.1 | -17.5 | 0 | 0 | 0 | 123 | | |
| 15 | F | 29 | Very low | 30.9 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 77% | 0.772 | 73% | 0.725 | S | S | * | * | | | cis | -172.3 | 156.1 | -17.3 | -139 | -132.1 | 0 | 0 | 0 | 108.3 | | |
| 16 | V | 31.5 | Very low | 30.6 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 62% | 0.618 | 72% | 0.724 | S | S | * | * | | | trans | 50.5 | 113.3 | 145 | 163.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 17 | D | 26.1 | Very low | 30 | Very low | 150 Ų | 150 | 132.6 Ų | 132.6 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | | | | 76.2 | 162.4 | 68 | -165 | 20.1 | 0 | 0 | 0 | 113.7 | | |
| 18 | S | 29 | Very low | 29.9 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 63% | 0.629 | 74% | 0.736 | S | S | * | * | | | trans | 80.7 | 103 | 177.6 | 76.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 19 | S | 27.2 | Very low | 29.6 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | 27.6 | 116.6 | 128.3 | 59.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 20 | S | 27 | Very low | 29.4 | Very low | 110 Ų | 110 | 134.6 Ų | 134.6 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | | 156.9 | 146.9 | 119.2 | -72.7 | 0 | 0 | 0 | 0 | 112 | | |
| 21 | P | 33.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 135.4 Ų | 135.4 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | trans | -77.1 | 157.7 | 169.9 | 34.8 | -35 | 0 | 0 | 0 | 110.5 | | |
| 22 | L | 27.6 | Very low | 29 | Very low | 143 Ų | 143 | 136.3 Ų | 136.3 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | | | trans | 173.3 | 136.5 | 140.9 | -94.2 | 156.8 | 0 | 0 | 0 | 112.5 | | |
| 23 | R | 28.5 | Very low | 28.6 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | | | trans | 66.6 | 112.9 | 149.7 | -67.4 | 171.6 | -173.6 | -160.4 | 3.9 | 117.5 | | |
| 24 | N | 26.7 | Very low | 28.3 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | | 58.9 | 116 | 81 | -73 | -5.9 | 0 | 0 | 0 | 113.4 | | |
| 25 | L | 30.4 | Very low | 28.1 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 94% | 0.937 | 76% | 0.759 | S | S | * | * | | | trans | -153.2 | 115.2 | 131.6 | -108.9 | 148.2 | 0 | 0 | 0 | 111.1 | | |
| 26 | T | 26.5 | Very low | 27.9 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 69% | 0.693 | 76% | 0.759 | S | S | * | * | | | trans | -90 | 159.3 | 177.1 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 27 | C | 24 | Very low | 27.7 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 78% | 0.777 | 76% | 0.763 | S | S | * | * | | | trans | 68.4 | 126.8 | 159.3 | -58 | 0 | 0 | 0 | 0 | 118.2 | | |
| 28 | L | 29.5 | Very low | 27.6 | Very low | 169 Ų | 169 | 133.9 Ų | 133.9 | 89% | 0.885 | 76% | 0.759 | S | S | * | * | | | | -171.5 | 156.4 | 99.3 | -98.3 | 159.6 | 0 | 0 | 0 | 112.7 | | |
| 29 | N | 24.6 | Very low | 27.5 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -83.2 | 147.6 | -176.8 | -61 | -43 | 0 | 0 | 0 | 112.8 | | |
| 30 | S | 29.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -171 | 113.7 | 137 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 31 | E | 26.2 | Very low | 27.4 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 78% | 0.775 | S | S | * | * | | | | 52.3 | 96.4 | 81 | -89.8 | -164.4 | -160.7 | 0 | 0 | 115.2 | | |
| 32 | K | 30.3 | Very low | 27.3 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | | 166.1 | 140.5 | 100.7 | -93.5 | 147.8 | -176.3 | 133.2 | 0 | 114.4 | | |
| 33 | N | 26.1 | Very low | 27.3 | Very low | 142 Ų | 142 | 146.4 Ų | 146.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | 49.4 | 132.6 | 144.8 | -52.3 | -18.9 | 0 | 0 | 0 | 118.9 | | |
| 34 | V | 28.5 | Very low | 27.4 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | | -170.1 | 137.3 | 65 | 159.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 35 | H | 28.4 | Very low | 27.6 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | 26.1 | 124.3 | 153.9 | -60 | -48.9 | 0 | 0 | 0 | 124.2 | | |
| 36 | S | 25.3 | Very low | 27.8 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 59 | 144.3 | 122.9 | 78.5 | 0 | 0 | 0 | 0 | 120 | | |
| 37 | S | 26.9 | Very low | 28.1 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | cis | -163.5 | 163.9 | 33.9 | 49.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 38 | S | 24.9 | Very low | 28.8 | Very low | 101 Ų | 101 | 143.3 Ų | 143.3 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | 52.4 | 111.5 | 153.1 | 59.6 | 0 | 0 | 0 | 0 | 120 | | |
| 39 | L | 26.9 | Very low | 29 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | | | | -147 | 145.9 | 118.3 | -137.6 | 75.6 | 0 | 0 | 0 | 110.7 | | |
| 40 | S | 27.4 | Very low | 29.3 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | -90.9 | 142.2 | -168.4 | 46.5 | 0 | 0 | 0 | 0 | 113.6 | F42 | S40-F42 PolarHBondContact O-N 2.85Š|
| 41 | E | 24.4 | Very low | 29.6 | Very low | 185 Ų | 185 | 138.2 Ų | 138.2 | 86% | 0.864 | 72% | 0.72 | S | S | * | * | | | trans | -68.3 | 101.9 | 172.4 | -172.8 | 178.2 | -163 | 0 | 0 | 110.7 | | |
| 42 | F | 30.4 | Very low | 30 | Very low | 178 Ų | 178 | 137 Ų | 137 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | | | trans | -90.5 | 133.9 | 164 | -97.7 | -93.1 | 0 | 0 | 0 | 109.6 | S40 | S40-F42 PolarHBondContact O-N 2.85Š|
| 43 | K | 27.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 81% | 0.809 | 71% | 0.711 | S | S | * | * | | | trans | -95.6 | 130.3 | 167.6 | -65.8 | 171.6 | 179.1 | 171.3 | 0 | 107.5 | | |
| 44 | D | 31.7 | Very low | 30.6 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | trans | -130.3 | 143.3 | 160.1 | -84.1 | -48.5 | 0 | 0 | 0 | 110.3 | A46 | D44-A46 PolarHBondContact O-N 3.5Š|
| 45 | E | 29.9 | Very low | 31 | Very low | 207 Ų | 207 | 137.8 Ų | 137.8 | 97% | 0.967 | 71% | 0.705 | S | S | * | * | | | trans | -88.4 | 87.4 | 179.9 | -66.6 | 174.4 | 119.7 | 0 | 0 | 109.9 | | |
| 46 | A | 34.7 | Very low | 31.5 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 51% | 0.512 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -160.3 | 146.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D44 H48 | D44-A46 PolarHBondContact O-N 3.5Å; A46-H48 VanDerWaalsContact C-N 3.29Å; A46-H48 PolarHBondContact O-N 2.66Å |
| 47 | D | 33.4 | Very low | 32.6 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 81% | 0.807 | 71% | 0.705 | S | S | * | * | | | trans | -72.8 | 73.8 | 177.8 | -74.6 | -63.3 | 0 | 0 | 0 | 112.2 | | |
| 48 | H | 37.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | | | trans | -127.2 | 129.3 | -179 | -60.7 | -9 | 0 | 0 | 0 | 111 | A46 | A46-H48 VanDerWaalsContact C-N 3.29Å; A46-H48 PolarHBondContact O-N 2.66Å |
| 49 | V | 34.8 | Very low | 33.5 | Very low | 83 Ų | 83 | 135.2 Ų | 135.2 | 50% | 0.503 | 69% | 0.688 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.5 | 105.6 | 168.2 | -172.1 | 0 | 0 | 0 | 0 | 108.1 | Y51 | V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.06Å; V49-Y51 HydrophobicContact CG1-CE1 4.45Å; V49-Y51 HydrophobicContact CG1-CE2 3.39Å |
| 50 | E | 31.1 | Very low | 33.8 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 46% | 0.458 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.9 | 173.9 | -171.4 | -172.9 | 169.6 | 0 | 0 | 109.9 | Q52 Q61 | E50-Q52 HydrophobicContact CG-CG 4.46Å; E50-Q52 WeakPolarHBondContact OE1-CG 3.38Å; E50-Q52 PolarHBondContact OE1-NE2 2.83Å; E50-Q61 PolarHBondContact OE1-NE2 3.11Å |
| 51 | Y | 34.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 131 Ų | 131 | 58% | 0.58 | 65% | 0.653 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.7 | 168.2 | -69.9 | -84.5 | 0 | 0 | 0 | 110.3 | V49 F62 | V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG1-CD2 4.06Å; V49-Y51 HydrophobicContact CG1-CE1 4.45Å; V49-Y51 HydrophobicContact CG1-CE2 3.39Å; Y51-F62 PolarHBondContact N-O 3.48Å; Y51-F62 PolarHBondContact O-N 3.3Å |
| 52 | Q | 35.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 59% | 0.589 | 64% | 0.636 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 121.9 | 171.6 | -64.6 | -175.6 | 6.8 | 0 | 0 | 109.7 | E50 | E50-Q52 HydrophobicContact CG-CG 4.46Å; E50-Q52 WeakPolarHBondContact OE1-CG 3.38Å; E50-Q52 PolarHBondContact OE1-NE2 2.83Å |
| 53 | M | 33.5 | Very low | 34.8 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 62% | 0.616 | 63% | 0.626 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.2 | 168.7 | -87.3 | -177.4 | 61.6 | 0 | 0 | 110.2 | H60 | M53-H60 PolarHBondContact N-O 2.84Å; M53-H60 PolarHBondContact O-N 3.02Å |
| 54 | K | 34.2 | Very low | 34.8 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.9 | 168.4 | -77.8 | -177.4 | 174.5 | 179.3 | 0 | 109.9 | E58 T59 | K54-E58 WeakPolarHBondContact CA-O 3.32Å; K54-T59 WeakPolarHBondContact CE-OG1 3.45Å; K54-T59 HydrophobicContact CG-CG2 4.25Å |
| 55 | K | 37 | Very low | 34.8 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.3 | 169.2 | -169.8 | 175.9 | 179.5 | -176.7 | 0 | 107.7 | G57 E58 | K55-G57 PolarHBondContact O-N 3.47Å; K55-G57 VanDerWaalsContact O-N 3.09Å; K55-E58 PolarHBondContact N-O 3.43Å; K55-E58 PolarHBondContact O-N 3.48Å; K55-E58 VanDerWaalsContact O-N 3.12Å |
| 56 | N | 39.6 | Very low | 35 | Very low | 155 Ų | 155 | 120.1 Ų | 120.1 | 83% | 0.829 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.3 | 25.6 | 178.8 | -57.5 | 0.9 | 0 | 0 | 0 | 115.7 | E58 | N56-E58 VanDerWaalsContact C-N 3.3Å; N56-E58 PolarHBondContact O-N 3.29Å |
| 57 | G | 48.7 | Very low | 34.7 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.8 | -15.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | K55 | K55-G57 PolarHBondContact O-N 3.47Å; K55-G57 VanDerWaalsContact O-N 3.09Å |
| 58 | E | 30.7 | Very low | 34.6 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.7 | 141.3 | 174.5 | -63.4 | -177.8 | 157.1 | 0 | 0 | 110.3 | K54 K55 N56 H60 | K54-E58 WeakPolarHBondContact CA-O 3.32Å; K55-E58 PolarHBondContact N-O 3.43Å; K55-E58 PolarHBondContact O-N 3.48Å; K55-E58 VanDerWaalsContact O-N 3.12Å; N56-E58 VanDerWaalsContact C-N 3.3Å; N56-E58 PolarHBondContact O-N 3.29Å; E58-H60 IonicContact OE2-NE2 3.69Å |
| 59 | T | 38.8 | Very low | 34.3 | Very low | 72 Ų | 72 | 128.5 Ų | 128.5 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.8 | 179.2 | -53 | 0 | 0 | 0 | 0 | 108.2 | K54 | K54-T59 WeakPolarHBondContact CE-OG1 3.45Å; K54-T59 HydrophobicContact CG-CG2 4.25Å |
| 60 | H | 33.1 | Very low | 34.1 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 37% | 0.366 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.6 | 126.8 | 177.8 | -63.1 | -92.6 | 0 | 0 | 0 | 109.8 | M53 E58 F62 | M53-H60 PolarHBondContact N-O 2.84Å; M53-H60 PolarHBondContact O-N 3.02Å; E58-H60 IonicContact OE2-NE2 3.69Å; H60-F62 HydrophobicContact CB-CD2 4.31Å; H60-F62 HydrophobicContact CB-CE2 3.48Å; H60-F62 VanDerWaalsContact CB-CE2 3.48Å; H60-F62 HydrophobicContact CB-CZ 3.71Å |
| 61 | Q | 35.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 130 Ų | 130 | 50% | 0.495 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 131.3 | 169.4 | -68.8 | -175.9 | -61.4 | 0 | 0 | 109.3 | E50 | E50-Q61 PolarHBondContact OE1-NE2 3.11Å |
| 62 | F | 35.3 | Very low | 33.9 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 50% | 0.504 | 66% | 0.658 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 129 | 174.6 | -61 | -85.2 | 0 | 0 | 0 | 110 | Y51 H60 | Y51-F62 PolarHBondContact N-O 3.48Å; Y51-F62 PolarHBondContact O-N 3.3Å; H60-F62 HydrophobicContact CB-CD2 4.31Å; H60-F62 HydrophobicContact CB-CE2 3.48Å; H60-F62 VanDerWaalsContact CB-CE2 3.48Å; H60-F62 HydrophobicContact CB-CZ 3.71Å |
| 63 | Y | 32.7 | Very low | 33.5 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 57% | 0.569 | 67% | 0.673 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.9 | 171.4 | -59.9 | -83.8 | 0 | 0 | 0 | 108.4 | | |
| 64 | C | 29.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 58% | 0.581 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.7 | 115 | 172.4 | -164.4 | 0 | 0 | 0 | 0 | 109 | | |
| 65 | F | 31.6 | Very low | 33.1 | Very low | 154 Ų | 154 | 129 Ų | 129 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | | | trans | -93.6 | 118.8 | 174.1 | -62 | -82 | 0 | 0 | 0 | 109.5 | M67 | F65-M67 PolarHBondContact O-N 3.48Š|
| 66 | Q | 32.8 | Very low | 32.7 | Very low | 176 Ų | 176 | 126.8 Ų | 126.8 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | | | trans | -87.2 | 102.2 | 167.8 | -174.3 | 163.3 | -13.7 | 0 | 0 | 108.3 | E68 | Q66-E68 PolarHBondContact O-N 3.16Š|
| 67 | M | 29.8 | Very low | 32.1 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 87% | 0.872 | 69% | 0.69 | S | S | * | * | | | trans | -70 | 122 | 171.8 | -74.3 | -171.7 | -72.5 | 0 | 0 | 109.4 | F65 | F65-M67 PolarHBondContact O-N 3.48Š|
| 68 | E | 30.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 133.2 Ų | 133.2 | 67% | 0.673 | 70% | 0.697 | S | S | * | * | | | trans | -75.1 | 138.8 | 166.9 | -69.2 | -160.7 | 138.9 | 0 | 0 | 110.6 | Q66 S70 | Q66-E68 PolarHBondContact O-N 3.16Å; E68-S70 PolarHBondContact O-N 3.12Å |
| 69 | E | 32 | Very low | 30.9 | Very low | 194 Ų | 194 | 133.2 Ų | 133.2 | 91% | 0.907 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -79.1 | 25.2 | -168.4 | -147.4 | 166.2 | -160.6 | 0 | 0 | 113.3 | | |
| 70 | S | 30.5 | Very low | 30.4 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -101.8 | 1.8 | -159.9 | 53.8 | 0 | 0 | 0 | 0 | 115.9 | E68 | E68-S70 PolarHBondContact O-N 3.12Š|
| 71 | V | 31.8 | Very low | 30.4 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -108.5 | 3.1 | -177 | -167.3 | 0 | 0 | 0 | 0 | 113 | | |
| 72 | L | 29.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -109.4 | 49.6 | -179.7 | -70.8 | 173 | 0 | 0 | 0 | 113 | | |
| 73 | N | 27.4 | Very low | 30.1 | Very low | 171 Ų | 171 | 143.6 Ų | 143.6 | 91% | 0.914 | 77% | 0.769 | S | S | * | * | | | trans | -164.9 | 56.8 | 165.1 | -99.8 | -35.2 | 0 | 0 | 0 | 113.1 | | |
| 74 | S | 32.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -130.1 | 117.6 | 163.4 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 75 | S | 26.2 | Very low | 30.3 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | | | trans | -62.3 | 174.8 | -175.1 | -49.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 76 | S | 28.1 | Very low | 30.2 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | S | Bend | trans | 81.3 | 107.3 | 169.4 | 66 | 0 | 0 | 0 | 0 | 118 | L78 | S76-L78 PolarHBondContact O-N 3.26Š|
| 77 | E | 26.7 | Very low | 30.1 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | | | trans | 39.5 | 71.2 | 132.2 | -58.7 | -176.9 | 146.1 | 0 | 0 | 118 | | |
| 78 | L | 27.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 76% | 0.756 | S | S | * | * | | | trans | -119.2 | 126.5 | 156.6 | -84.5 | 164.8 | 0 | 0 | 0 | 110.6 | S76 | S76-L78 PolarHBondContact O-N 3.26Š|
| 79 | T | 28 | Very low | 30.2 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -69.3 | 142.5 | -163.8 | 43.7 | 0 | 0 | 0 | 0 | 113.1 | N81 | T79-N81 PolarHBondContact O-N 3.3Š|
| 80 | V | 28.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 84% | 0.842 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | 100.8 | 169.8 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 81 | N | 32.4 | Very low | 30.2 | Very low | 139 Ų | 139 | 140.5 Ų | 140.5 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.1 | 0.2 | 152.2 | -96.8 | -19.6 | 0 | 0 | 0 | 117 | T79 | T79-N81 PolarHBondContact O-N 3.3Š|
| 82 | Q | 33.3 | Very low | 30.1 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -113.5 | -2.3 | -175.5 | -69.3 | -175.7 | -19 | 0 | 0 | 116.4 | | |
| 83 | N | 31.9 | Very low | 30.3 | Very low | 134 Ų | 134 | 136.2 Ų | 136.2 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -100.3 | 5.9 | -178.5 | -69.5 | -15.6 | 0 | 0 | 0 | 114.6 | | |
| 84 | S | 32.2 | Very low | 30.4 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 45% | 0.448 | 72% | 0.72 | S | S | . | * | H | α-helix | trans | -77.7 | -34.1 | -176.8 | 46.8 | 0 | 0 | 0 | 0 | 114 | Q88 | S84-Q88 VanDerWaalsContact O-CG 3.29Å; S84-Q88 WeakPolarHBondContact O-CG 3.43Å; S84-Q88 PolarHBondContact O-N 3.21Å |
| 85 | E | 32.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 71% | 0.71 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -78.7 | -40.4 | -172.7 | -63.1 | -173.5 | 148.3 | 0 | 0 | 112.7 | L87 Q88 | E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.33Å; E85-Q88 PolarHBondContact O-N 3.29Å |
| 86 | Y | 29.7 | Very low | 30.7 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -68.9 | -26.5 | 178.3 | -98 | -93.2 | 0 | 0 | 0 | 113.9 | | |
| 87 | L | 32.4 | Very low | 30.8 | Very low | 126 Ų | 126 | 143.9 Ų | 143.9 | 66% | 0.66 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -88.6 | -13.9 | 176.4 | -82.9 | 162.3 | 0 | 0 | 0 | 113.8 | E85 | E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 3.33Å |
| 88 | Q | 33.3 | Very low | 31 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 61% | 0.612 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.5 | -33.2 | 174.7 | -83 | 176.3 | -10.3 | 0 | 0 | 112.6 | S84 E85 N90 K91 S92 | S84-Q88 VanDerWaalsContact O-CG 3.29Å; S84-Q88 WeakPolarHBondContact O-CG 3.43Å; S84-Q88 PolarHBondContact O-N 3.21Å; E85-Q88 PolarHBondContact O-N 3.29Å; Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.09Å; Q88-K91 PolarHBondContact O-N 2.94Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; Q88-S92 PolarHBondContact O-N 2.71Å |
| 89 | M | 29 | Very low | 31 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 70% | 0.704 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -67.6 | -27 | -174.5 | -156.9 | 166.8 | 177.3 | 0 | 0 | 113.8 | S92 | M89-S92 PolarHBondContact O-OG 3.27Å; M89-S92 VanDerWaalsContact O-OG 3.13Å |
| 90 | N | 30.2 | Very low | 31.1 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -87.8 | -17 | 172.8 | -80.2 | -42 | 0 | 0 | 0 | 113.9 | Q88 | Q88-N90 VanDerWaalsContact C-N 3.31Å; Q88-N90 PolarHBondContact O-N 3.09Å |
| 91 | K | 31.4 | Very low | 31.2 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -81.4 | -24.4 | 174.9 | -81.5 | -176.3 | 174.3 | 180 | 0 | 113.2 | Q88 N95 | Q88-K91 PolarHBondContact O-N 2.94Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; K91-N95 PolarHBondContact O-ND2 3.32Å |
| 92 | S | 30.4 | Very low | 31 | Very low | 64 Ų | 64 | 143.5 Ų | 143.5 | 45% | 0.448 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -77.7 | -27.8 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | Q88 M89 N96 | Q88-S92 PolarHBondContact O-N 2.71Å; M89-S92 PolarHBondContact O-OG 3.27Å; M89-S92 VanDerWaalsContact O-OG 3.13Å; S92-N96 PolarHBondContact O-ND2 2.77Å |
| 93 | I | 32.4 | Very low | 30.9 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 61% | 0.61 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -76.5 | -34.4 | -177.8 | -62.7 | 173.2 | 0 | 0 | 0 | 111.6 | | |
| 94 | F | 31.4 | Very low | 30.6 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -82.4 | -17.8 | -179.7 | -138.7 | -93.5 | 0 | 0 | 0 | 114.2 | | |
| 95 | N | 31.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 148.1 Ų | 148.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | 11.6 | -174.1 | -83.5 | -50.4 | 0 | 0 | 0 | 115 | K91 | K91-N95 PolarHBondContact O-ND2 3.32Š|
| 96 | N | 32 | Very low | 30.2 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 6.7 | -178.3 | -83 | -61.9 | 0 | 0 | 0 | 115 | S92 | S92-N96 PolarHBondContact O-ND2 2.77Š|
| 97 | Y | 30 | Very low | 30.1 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -110.3 | 127.5 | 171.6 | -93.9 | -94.4 | 0 | 0 | 0 | 111.4 | | |
| 98 | N | 32.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 142.8 Ų | 142.8 | 72% | 0.722 | 72% | 0.724 | S | S | * | * | | | trans | 58.1 | 75.6 | 179.9 | -72.9 | -5.7 | 0 | 0 | 0 | 117.2 | | |
| 99 | R | 27 | Very low | 29.5 | Very low | 236 Ų | 236 | 142.5 Ų | 142.5 | 89% | 0.891 | 73% | 0.731 | S | S | * | * | | | | -59.9 | 144 | 129.6 | -65.2 | -176.4 | -177 | -167.3 | 1.1 | 108 | | |
| 100 | N | 29.7 | Very low | 29.4 | Very low | 156 Ų | 156 | 143 Ų | 143 | 83% | 0.834 | 73% | 0.729 | S | S | * | * | | | trans | 88.1 | 55.9 | 179.6 | -47.1 | -11.6 | 0 | 0 | 0 | 117 | | |
| 101 | T | 31.2 | Very low | 29.5 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 82% | 0.816 | 74% | 0.74 | S | S | * | * | | | trans | -150.1 | 140.6 | 134.8 | 13.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 102 | S | 28.3 | Very low | 29.2 | Very low | 101 Ų | 101 | 142.3 Ų | 142.3 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -94.2 | 149 | -163.3 | -175.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 103 | T | 29.8 | Very low | 29.1 | Very low | 103 Ų | 103 | 148.1 Ų | 148.1 | 63% | 0.632 | 77% | 0.768 | S | S | * | * | | | trans | 66 | 115.3 | 150.6 | 36.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 104 | D | 25.8 | Very low | 29 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | trans | 67.9 | 98.5 | 130.2 | -52.3 | -15.9 | 0 | 0 | 0 | 120.4 | | |
| 105 | W | 27.2 | Very low | 28.8 | Very low | 239 Ų | 239 | 146.1 Ų | 146.1 | 91% | 0.905 | 77% | 0.769 | S | S | * | * | | | trans | -129.3 | 58.5 | 153.6 | -81.9 | 79.6 | 0 | 0 | 0 | 111.1 | C108 | W105-C108 HydrophobicContact CZ3-CB 4.38Š|
| 106 | T | 28.6 | Very low | 28.7 | Very low | 113 Ų | 113 | 149 Ų | 149 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | | | trans | -92.7 | 144.3 | 151.9 | 36.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 107 | N | 28 | Very low | 28.4 | Very low | 154 Ų | 154 | 151.6 Ų | 151.6 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | | | trans | 67 | 94.9 | 176.6 | -52.1 | -21.5 | 0 | 0 | 0 | 116.4 | | |
| 108 | C | 26.2 | Very low | 28.5 | Very low | 110 Ų | 110 | 151.6 Ų | 151.6 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | | | trans | -141 | 67.2 | 151.9 | -155.3 | 0 | 0 | 0 | 0 | 111 | W105 | W105-C108 HydrophobicContact CZ3-CB 4.38Š|
| 109 | T | 26.7 | Very low | 28.2 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -108.8 | 132.3 | 160.6 | 42.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 110 | K | 28.2 | Very low | 28.2 | Very low | 152 Ų | 152 | 147.2 Ų | 147.2 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | | | trans | 66.9 | 104.1 | 175.3 | -50.7 | 177.4 | -174.7 | 177.1 | 0 | 117.2 | | |
| 111 | T | 30.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 145.3 Ų | 145.3 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | | | | -161.1 | 109 | 124.7 | 17.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 112 | S | 25.3 | Very low | 28.1 | Very low | 116 Ų | 116 | 144.6 Ų | 144.6 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | -85.5 | 127.7 | 163.3 | -54.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 113 | Q | 29 | Very low | 28.2 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | | | trans | 178.9 | 146.6 | 135.5 | -100 | 162.6 | 25 | 0 | 0 | 113.9 | | |
| 114 | S | 30.2 | Very low | 28.2 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | 55.5 | 112.7 | 153.1 | 57.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 115 | H | 26.5 | Very low | 28.3 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | | | | 36.6 | 118.9 | 125.5 | -63.1 | -88.4 | 0 | 0 | 0 | 119.6 | | |
| 116 | E | 30.1 | Very low | 28.4 | Very low | 192 Ų | 192 | 147.3 Ų | 147.3 | 90% | 0.897 | 77% | 0.767 | S | S | * | * | | | | -163 | 163.1 | 95.8 | -108.8 | -178.6 | 163.2 | 0 | 0 | 113.1 | | |
| 117 | Y | 25.6 | Very low | 28.4 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -89.7 | 141.7 | -172.6 | -71.9 | -105.8 | 0 | 0 | 0 | 112.2 | T119 | Y117-T119 HydrophobicContact CD1-CG2 4.49Š|
| 118 | Q | 32 | Very low | 28.6 | Very low | 200 Ų | 200 | 148.7 Ų | 148.7 | 94% | 0.935 | 77% | 0.77 | S | S | * | * | | | trans | -153.6 | 141.9 | 137.6 | -112.3 | 165.4 | 33.7 | 0 | 0 | 110.8 | | |
| 119 | T | 27.2 | Very low | 29 | Very low | 94 Ų | 94 | 149.3 Ų | 149.3 | 58% | 0.577 | 76% | 0.762 | S | S | * | * | | | trans | -133.2 | 156 | -156.9 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | Y117 | Y117-T119 HydrophobicContact CD1-CG2 4.49Š|
| 120 | F | 25.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 154 Ų | 154 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | trans | 73.7 | 160.7 | 162 | -63 | -61.5 | 0 | 0 | 0 | 118.4 | | |
| 121 | P | 30.7 | Very low | 29.5 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | cis | -122 | 167 | 4.3 | 19.3 | 4.7 | 0 | 0 | 0 | 117.3 | | |
| 122 | V | 29.1 | Very low | 29.7 | Very low | 119 Ų | 119 | 158.8 Ų | 158.8 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | trans | -103.2 | 132.5 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 123 | Y | 30.5 | Very low | 30.2 | Very low | 216 Ų | 216 | 159 Ų | 159 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | | | trans | -165.8 | 143 | 157 | -77 | -67.5 | 0 | 0 | 0 | 107.1 | | |
| 124 | D | 29.2 | Very low | 30.6 | Very low | 96 Ų | 96 | 158 Ų | 158 | 51% | 0.513 | 76% | 0.755 | S | S | . | * | | | cis | -156.6 | 144.6 | -8.5 | -152.7 | -32 | 0 | 0 | 0 | 108.3 | T126 | D124-T126 WeakPolarHBondContact OD1-CB 3.45Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.1Å; D124-T126 PolarHBondContact OD1-N 3.36Å; D124-T126 PolarHBondContact OD1-OG1 3.03Å |
| 125 | F | 28 | Very low | 31 | Very low | 204 Ų | 204 | 161.2 Ų | 161.2 | 90% | 0.895 | 76% | 0.759 | S | S | * | * | | | trans | -143.5 | 42.6 | 171 | -120.6 | -76.1 | 0 | 0 | 0 | 111.7 | S127 | F125-S127 PolarHBondContact O-N 2.82Š|
| 126 | T | 28.5 | Very low | 31.5 | Very low | 114 Ų | 114 | 159.9 Ų | 159.9 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 78.7 | 174.9 | 40.7 | 0 | 0 | 0 | 0 | 112.8 | D124 | D124-T126 WeakPolarHBondContact OD1-CB 3.45Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.1Å; D124-T126 PolarHBondContact OD1-N 3.36Å; D124-T126 PolarHBondContact OD1-OG1 3.03Å |
| 127 | S | 29.8 | Very low | 31.9 | Very low | 102 Ų | 102 | 155 Ų | 155 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.4 | -9.5 | 161.4 | -126.1 | 0 | 0 | 0 | 0 | 118.8 | F125 | F125-S127 PolarHBondContact O-N 2.82Š|
| 128 | F | 30.5 | Very low | 32.4 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -115.4 | 8.5 | 179.6 | -82.3 | -79.4 | 0 | 0 | 0 | 115.6 | | |
| 129 | Q | 35.5 | Very low | 32.8 | Very low | 123 Ų | 123 | 148 Ų | 148 | 58% | 0.575 | 73% | 0.725 | S | S | * | * | | | trans | -82.1 | -12.9 | 179.5 | -96.8 | -85.3 | -6.9 | 0 | 0 | 114.8 | H131 H133 | Q129-H131 PolarHBondContact O-N 3.27Å; Q129-H133 PolarHBondContact OE1-ND1 3Å |
| 130 | Y | 31.8 | Very low | 33.3 | Very low | 223 Ų | 223 | 151 Ų | 151 | 88% | 0.875 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 9 | -166.3 | -119 | -82.9 | 0 | 0 | 0 | 117.3 | | |
| 131 | H | 32.8 | Very low | 33.9 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 2.4 | 174.6 | -105 | 46.1 | 0 | 0 | 0 | 115.3 | Q129 | Q129-H131 PolarHBondContact O-N 3.27Š|
| 132 | R | 36.1 | Very low | 34.5 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 76% | 0.758 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -10.5 | -176 | -160.3 | 168.8 | 169.4 | -175.2 | -6.2 | 114.6 | | |
| 133 | H | 35.5 | Very low | 34.9 | Very low | 120 Ų | 120 | 153.8 Ų | 153.8 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -102.9 | 5.8 | -174.2 | -117.6 | 131.4 | 0 | 0 | 0 | 116.4 | Q129 | Q129-H133 PolarHBondContact OE1-ND1 3Š|
| 134 | H | 36.6 | Very low | 35.5 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -105.6 | 4 | -176.7 | -135.7 | -61.8 | 0 | 0 | 0 | 115.3 | | |
| 135 | H | 38.9 | Very low | 36.1 | Very low | 165 Ų | 165 | 157 Ų | 157 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -111.6 | -9.4 | -174.6 | -126.7 | -59.6 | 0 | 0 | 0 | 115.5 | | |
| 136 | L | 37.8 | Very low | 36.8 | Very low | 138 Ų | 138 | 155 Ų | 155 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -105.6 | -19.5 | -178.3 | -76.6 | 163.7 | 0 | 0 | 0 | 113.9 | | |
| 137 | T | 37.5 | Very low | 37.2 | Very low | 88 Ų | 88 | 157 Ų | 157 | 54% | 0.54 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -92.2 | -10.5 | 178.9 | 38.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 138 | S | 36.6 | Very low | 37.6 | Very low | 91 Ų | 91 | 160.3 Ų | 160.3 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -10 | -179.7 | -162.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 139 | Q | 40.5 | Very low | 37.7 | Very low | 156 Ų | 156 | 158 Ų | 158 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -19.2 | 178.6 | -76.6 | -167.2 | -25.7 | 0 | 0 | 114.7 | | |
| 140 | Y | 36.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 158 Ų | 158 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -30.5 | 179 | -92.2 | -92.6 | 0 | 0 | 0 | 113.8 | H142 Y143 Q352 | Y140-H142 VanDerWaalsContact C-N 3.27Å; Y140-H142 PolarHBondContact O-N 3.42Å; Y140-Y143 PolarHBondContact O-N 3.36Å; Y140-Q352 PolarHBondContact OH-NE2 2.87Å; Y140-Q352 VanDerWaalsContact OH-NE2 3.15Å |
| 141 | D | 39.5 | Very low | 37.8 | Very low | 135 Ų | 135 | 155.7 Ų | 155.7 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -4 | -177.5 | -97.3 | -18.2 | 0 | 0 | 0 | 115.3 | | |
| 142 | H | 43.2 | Very low | 37.8 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -13.8 | 174 | -149.5 | 62.1 | 0 | 0 | 0 | 113.8 | Y140 | Y140-H142 VanDerWaalsContact C-N 3.27Å; Y140-H142 PolarHBondContact O-N 3.42Å |
| 143 | Y | 36.3 | Very low | 37.6 | Very low | 191 Ų | 191 | 150 Ų | 150 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -12.2 | -173 | -123 | -87.7 | 0 | 0 | 0 | 114.6 | Y140 | Y140-Y143 PolarHBondContact O-N 3.36Š|
| 144 | Q | 43.3 | Very low | 37.5 | Very low | 166 Ų | 166 | 148.9 Ų | 148.9 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 3.6 | -173.5 | -77.3 | -81.3 | -29.6 | 0 | 0 | 115 | | |
| 145 | R | 42.1 | Very low | 37.4 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -110.5 | 1.7 | -171.5 | -85.8 | -169.8 | 162.9 | 118 | -0 | 117.7 | | |
| 146 | H | 43.7 | Very low | 37.4 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 75% | 0.75 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -127.7 | 4.7 | -177.2 | -71.3 | -60.3 | 0 | 0 | 0 | 116.4 | H148 | H146-H148 VanDerWaalsContact C-N 3.29Å; H146-H148 PolarHBondContact O-N 2.88Å |
| 147 | L | 36.5 | Very low | 37.2 | Very low | 155 Ų | 155 | 147.8 Ų | 147.8 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | | | trans | -85.3 | 66.4 | 174.3 | -68.7 | 173.7 | 0 | 0 | 0 | 111.9 | | |
| 148 | H | 37.9 | Very low | 37 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | | | trans | -152.1 | 64.6 | 168.9 | -133.2 | -68.3 | 0 | 0 | 0 | 113.1 | H146 | H146-H148 VanDerWaalsContact C-N 3.29Å; H146-H148 PolarHBondContact O-N 2.88Å |
| 149 | N | 32.7 | Very low | 37 | Very low | 146 Ų | 146 | 155.7 Ų | 155.7 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | 174.5 | 121 | 134.9 | -90.2 | -8.6 | 0 | 0 | 0 | 110.3 | | |
| 150 | P | 34.5 | Very low | 36.7 | Very low | 125 Ų | 125 | 154.5 Ų | 154.5 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | | | trans | -93.4 | 121.8 | -179.9 | 34 | -30.2 | 0 | 0 | 0 | 111.9 | | |
| 151 | I | 34.6 | Very low | 36.4 | Very low | 173 Ų | 173 | 157.2 Ų | 157.2 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | | | trans | -135.8 | 134.3 | 158.1 | -57.8 | -177.1 | 0 | 0 | 0 | 108.7 | | |
| 152 | H | 33.2 | Very low | 36.2 | Very low | 168 Ų | 168 | 156 Ų | 156 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | | | trans | -101.4 | 138.7 | -168.4 | -154.9 | -102 | 0 | 0 | 0 | 110.1 | | |
| 153 | S | 31.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 157.3 Ų | 157.3 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | | | trans | 174.6 | 116.8 | 137.3 | 42.7 | 0 | 0 | 0 | 0 | 114 | | |
| 154 | T | 35.2 | Very low | 35.8 | Very low | 96 Ų | 96 | 158.6 Ų | 158.6 | 59% | 0.589 | 78% | 0.777 | S | S | * | * | | | trans | -47.7 | 147.3 | 150.1 | -1.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 155 | Y | 34.4 | Very low | 35.4 | Very low | 206 Ų | 206 | 158 Ų | 158 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | | 155.7 | -170.6 | 78.3 | -107.2 | -40.4 | 0 | 0 | 0 | 107.3 | | |
| 156 | P | 38.6 | Very low | 35.1 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 62% | 0.623 | 78% | 0.781 | S | S | * | * | | | cis | -138.9 | -167 | -48.7 | 41.9 | -24.6 | 0 | 0 | 0 | 114.3 | | |
| 157 | L | 33.4 | Very low | 34.7 | Very low | 146 Ų | 146 | 154 Ų | 154 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | 83.3 | 132.7 | 146.2 | -78 | 171.3 | 0 | 0 | 0 | 123.7 | | |
| 158 | H | 33.8 | Very low | 34.6 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | | | trans | 58.3 | 107.1 | 143.2 | -88.1 | -144.9 | 0 | 0 | 0 | 122.2 | | |
| 159 | H | 35.7 | Very low | 34.5 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | | -154.2 | 151.3 | 128.3 | -141.1 | -114.8 | 0 | 0 | 0 | 112.2 | | |
| 160 | M | 33.7 | Very low | 34.5 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | | | trans | 71.6 | 66.6 | 164.3 | -46.8 | -77.9 | 60.2 | 0 | 0 | 120.4 | | |
| 161 | F | 31.5 | Very low | 34.7 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 93% | 0.934 | 77% | 0.768 | S | S | * | * | | | trans | -137.6 | 92.5 | 135.3 | -88.8 | -73.3 | 0 | 0 | 0 | 110.1 | | |
| 162 | S | 34.4 | Very low | 34.7 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | -173.5 | 102.2 | 166.6 | -83.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 163 | K | 38.5 | Very low | 34.7 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | 172.1 | 154.5 | 140.9 | -97.9 | 172.6 | -178.2 | -175.6 | 0 | 110.6 | | |
| 164 | Y | 34.2 | Very low | 34.9 | Very low | 218 Ų | 218 | 153.7 Ų | 153.7 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | 82 | 71.8 | 176.2 | -51.9 | -68.3 | 0 | 0 | 0 | 116.1 | | |
| 165 | D | 34.4 | Very low | 35 | Very low | 154 Ų | 154 | 155.2 Ų | 155.2 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | -77.6 | 165.1 | 141.7 | -101.9 | -46.4 | 0 | 0 | 0 | 110.9 | | |
| 166 | E | 34.6 | Very low | 34.9 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | 57.8 | 105.9 | 164.3 | -66.2 | -175.4 | 139.2 | 0 | 0 | 119.9 | | |
| 167 | S | 36.1 | Very low | 35.1 | Very low | 111 Ų | 111 | 155 Ų | 155 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | | 178.5 | 117.5 | 103.3 | 42.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 168 | S | 34.5 | Very low | 35.3 | Very low | 92 Ų | 92 | 154.4 Ų | 154.4 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | | | trans | 31.1 | 129.9 | 138.7 | 62.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 169 | N | 35.8 | Very low | 35.5 | Very low | 143 Ų | 143 | 152.9 Ų | 152.9 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | | | trans | 69.8 | 152.6 | 141.6 | -53.2 | -1.2 | 0 | 0 | 0 | 116.9 | | |
| 170 | E | 33.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | | | cis | -161 | 168.3 | -16.4 | -118.1 | -176.5 | 165.9 | 0 | 0 | 107.9 | | |
| 171 | T | 37.9 | Very low | 36.1 | Very low | 121 Ų | 121 | 152.9 Ų | 152.9 | 74% | 0.742 | 78% | 0.779 | S | S | * | * | | | trans | 60.8 | 117.6 | 158.9 | 54.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 172 | N | 33.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 152.9 Ų | 152.9 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -10.5 | 134.6 | 138.3 | -58 | -44.1 | 0 | 0 | 0 | 117.1 | | |
| 173 | F | 34.8 | Very low | 36.9 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 91% | 0.912 | 77% | 0.772 | S | S | * | * | | | | -160.5 | 136.8 | 114.5 | -110.7 | -73.5 | 0 | 0 | 0 | 111.3 | | |
| 174 | Q | 34.9 | Very low | 36.8 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -110.7 | 119.7 | 178.6 | 171.6 | 174 | -23.6 | 0 | 0 | 109.6 | | |
| 175 | T | 37.6 | Very low | 37.2 | Very low | 129 Ų | 129 | 149.8 Ų | 149.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | | | trans | -149.3 | 129.9 | 159.3 | 37.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 176 | D | 32.5 | Very low | 37.4 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | -56.2 | 154 | 157.3 | -72 | -75.4 | 0 | 0 | 0 | 110.9 | | |
| 177 | I | 42 | Very low | 37.7 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | | -165.8 | 105.8 | 127.9 | -89.6 | 140.8 | 0 | 0 | 0 | 107.1 | | |
| 178 | T | 37.8 | Very low | 37.8 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -84.4 | 104.2 | 156.1 | 48.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 179 | E | 38.4 | Very low | 38.4 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | | | trans | -166.9 | 150.5 | 146.6 | -119.1 | -175.8 | -174.6 | 0 | 0 | 114.8 | | |
| 180 | K | 40.1 | Very low | 38.8 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | 81 | 148.8 | 149 | -74.2 | 167.2 | 177.1 | 130.2 | 0 | 121.3 | | |
| 181 | H | 41 | Very low | 39.3 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 68% | 0.676 | 76% | 0.761 | S | S | * | * | | | trans | 68 | 84 | 162.5 | -62.7 | -53 | 0 | 0 | 0 | 120.2 | I183 | H181-I183 HydrophobicContact CB-CD1 4.34Å; H181-I183 HydrophobicContact CB-CG1 4.17Å; H181-I183 PolarHBondContact O-N 3.13Å |
| 182 | K | 39.8 | Very low | 39.6 | Very low | 213 Ų | 213 | 149.9 Ų | 149.9 | 93% | 0.926 | 76% | 0.757 | S | S | * | * | | | | -48.9 | 111.5 | 125.5 | -87.3 | -174.3 | 168.6 | -171 | 0 | 109.3 | | |
| 183 | I | 42.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 148.8 Ų | 148.8 | 62% | 0.621 | 75% | 0.751 | S | S | * | * | | | trans | -136 | 115.5 | 152.8 | -66.3 | 178.2 | 0 | 0 | 0 | 106.2 | H181 | H181-I183 HydrophobicContact CB-CD1 4.34Å; H181-I183 HydrophobicContact CB-CG1 4.17Å; H181-I183 PolarHBondContact O-N 3.13Å |
| 184 | N | 36.9 | Very low | 40.7 | Very low | 158 Ų | 158 | 145.7 Ų | 145.7 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | -72.6 | 129.9 | 160.8 | -74.5 | -2.3 | 0 | 0 | 0 | 106.8 | | |
| 185 | H | 42.9 | Very low | 41 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 75% | 0.745 | 74% | 0.741 | S | S | * | * | | | trans | -130 | 108.3 | 162 | -126.1 | -65.5 | 0 | 0 | 0 | 109 | | |
| 186 | N | 38.6 | Very low | 41.4 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | -69.1 | 149.7 | 158 | -68.3 | -9.2 | 0 | 0 | 0 | 107.7 | | |
| 187 | H | 40.7 | Very low | 42.1 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | | | trans | -143.7 | 128.2 | 168 | -148 | -71.2 | 0 | 0 | 0 | 109.1 | | |
| 188 | S | 37.7 | Very low | 42.4 | Very low | 87 Ų | 87 | 140.8 Ų | 140.8 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | | | trans | 51.8 | 125.8 | 160.8 | 49.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 189 | D | 47.3 | Very low | 42.8 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | | -149.2 | 137.4 | 63.6 | -74.3 | -41.5 | 0 | 0 | 0 | 115.5 | | |
| 190 | E | 43.3 | Very low | 43.1 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | 39.2 | 120.9 | 140 | -63.2 | -147.6 | 155.3 | 0 | 0 | 125.3 | | |
| 191 | N | 44.2 | Very low | 42.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 66% | 0.658 | 74% | 0.741 | S | S | * | * | | | | 98 | 131.6 | 121.1 | -80.4 | -35 | 0 | 0 | 0 | 123.6 | | |
| 192 | N | 45.1 | Very low | 42.9 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 65% | 0.652 | 75% | 0.745 | S | S | * | * | | | trans | 81.7 | 92.8 | 152.3 | -70.2 | -28.4 | 0 | 0 | 0 | 122.2 | | |
| 193 | N | 45.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | | | | 87.7 | 122.4 | 109.4 | -68.3 | -10.3 | 0 | 0 | 0 | 122.4 | | |
| 194 | N | 46.2 | Very low | 43.1 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | | | trans | 94.8 | 116.4 | 134 | -65.1 | -8.9 | 0 | 0 | 0 | 121.2 | | |
| 195 | T | 40.7 | Very low | 43.3 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | | | trans | 113.8 | 83.3 | 135.6 | -31.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 196 | S | 47.1 | Very low | 43.6 | Very low | 95 Ų | 95 | 128.9 Ų | 128.9 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | | | | 52.8 | 146.5 | 120.4 | -45 | 0 | 0 | 0 | 0 | 123.6 | | |
| 197 | N | 45.7 | Very low | 43.7 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | 89.3 | 137.3 | 162.5 | -48.3 | -32.8 | 0 | 0 | 0 | 116.6 | | |
| 198 | N | 48.5 | Very low | 44 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | | | cis | -171.3 | 171.5 | -27.6 | -112.4 | -7.3 | 0 | 0 | 0 | 108.5 | | |
| 199 | T | 47 | Very low | 44.2 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | | | trans | 66 | 121.6 | 171 | 55.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 200 | E | 44.5 | Very low | 44.3 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | cis | 62.1 | 137.3 | 48.5 | -66.3 | -167 | 145 | 0 | 0 | 113.9 | | |
| 201 | C | 36.5 | Very low | 44.3 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | cis | -160.5 | 151.8 | -2.3 | 48.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 202 | S | 40.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | | | trans | 28.5 | 122.4 | 140.3 | -57.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 203 | S | 44.3 | Very low | 44.7 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | | 108.5 | 138.1 | 113.4 | 71.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 204 | N | 41.3 | Very low | 45 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | | | trans | 79.6 | 117.3 | 154.8 | -60 | -17.7 | 0 | 0 | 0 | 120.6 | | |
| 205 | G | 42.8 | Very low | 45.6 | Very low | 78 Ų | 78 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -175 | 111 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 206 | S | 47.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | -91 | 159.4 | -159.9 | -48.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 207 | N | 41.2 | Very low | 46.9 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 60.1 | 109.2 | 151.1 | -62.4 | -13 | 0 | 0 | 0 | 119.8 | | |
| 208 | S | 46.6 | Very low | 47.8 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | | | | -153.3 | 132 | 128.2 | -89.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 209 | S | 43.1 | Very low | 48.8 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -51.1 | 128.4 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 210 | N | 48.4 | Very low | 50.2 | Low | 155 Ų | 155 | 140.5 Ų | 140.5 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | | | trans | -138.4 | 117.8 | 162 | -92.5 | -48.8 | 0 | 0 | 0 | 110.8 | S212 | N210-S212 PolarHBondContact O-N 3.26Š|
| 211 | N | 44.9 | Very low | 51.8 | Low | 158 Ų | 158 | 143.4 Ų | 143.4 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | | | trans | -63 | 100.5 | 179.2 | -89.1 | -40.8 | 0 | 0 | 0 | 111.1 | K213 | N211-K213 PolarHBondContact O-N 3.46Š|
| 212 | S | 43.2 | Very low | 54.2 | Low | 111 Ų | 111 | 142.3 Ų | 142.3 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 75.5 | 169.1 | 50 | 0 | 0 | 0 | 0 | 110.6 | N210 T214 | N210-S212 PolarHBondContact O-N 3.26Å; S212-T214 PolarHBondContact O-N 2.98Å |
| 213 | K | 53.3 | Low | 56.6 | Low | 182 Ų | 182 | 148.8 Ų | 148.8 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | | | trans | -52.5 | 114.6 | 167 | -73.9 | -179.3 | 178.3 | 176.2 | 0 | 108.2 | N211 L215 | N211-K213 PolarHBondContact O-N 3.46Å; K213-L215 PolarHBondContact O-N 3.49Å |
| 214 | T | 52.3 | Low | 58.7 | Low | 136 Ų | 136 | 148.8 Ų | 148.8 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -63.6 | 101.1 | -179.9 | 39.1 | 0 | 0 | 0 | 0 | 109.4 | S212 S216 | S212-T214 PolarHBondContact O-N 2.98Å; T214-S216 PolarHBondContact O-N 3.19Å |
| 215 | L | 57.4 | Low | 61.3 | Low | 162 Ų | 162 | 145.1 Ų | 145.1 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -61.3 | 105.2 | 171.7 | -83.2 | 93 | 0 | 0 | 0 | 108.3 | K213 K217 | K213-L215 PolarHBondContact O-N 3.49Å; L215-K217 PolarHBondContact O-N 3.46Å |
| 216 | S | 54.6 | Low | 63.9 | Low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 78% | 0.779 | S | S | * | * | | | trans | -58.2 | 106.1 | 171.9 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | T214 K218 | T214-S216 PolarHBondContact O-N 3.19Å; S216-K218 PolarHBondContact O-N 3.35Å |
| 217 | K | 62.4 | Low | 66.3 | Low | 205 Ų | 205 | 142.6 Ų | 142.6 | 89% | 0.891 | 76% | 0.764 | S | S | * | * | | | trans | -63.4 | 87.2 | 173.3 | -70.3 | 177.2 | -179.6 | 173.2 | 0 | 107.8 | L215 S219 | L215-K217 PolarHBondContact O-N 3.46Å; K217-S219 PolarHBondContact O-N 3.02Å |
| 218 | K | 63.7 | Low | 69 | Low | 187 Ų | 187 | 141.6 Ų | 141.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | | | trans | -51 | 109.4 | 177.4 | -71 | 175.9 | 179.3 | 176.8 | 0 | 108.2 | S216 K220 | S216-K218 PolarHBondContact O-N 3.35Å; K218-K220 PolarHBondContact O-N 3.28Å; K218-K220 VanDerWaalsContact O-N 3.11Å |
| 219 | S | 69.1 | Low | 71.5 | Confident | 117 Ų | 117 | 141 Ų | 141 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | | | trans | -58.3 | 117.4 | -174.8 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | K217 R221 | K217-S219 PolarHBondContact O-N 3.02Å; S219-R221 PolarHBondContact O-N 3.48Å; S219-R221 VanDerWaalsContact O-N 3.16Å |
| 220 | K | 76.7 | Confident | 74.1 | Confident | 202 Ų | 202 | 136.8 Ų | 136.8 | 88% | 0.878 | 71% | 0.713 | S | S | * | * | | | trans | -68.3 | 113.3 | 173.1 | -71.8 | -179.1 | 179.7 | 177.5 | 0 | 106.8 | K218 A222 | K218-K220 PolarHBondContact O-N 3.28Å; K218-K220 VanDerWaalsContact O-N 3.11Å; K220-A222 PolarHBondContact O-N 3.02Å; K220-A222 VanDerWaalsContact O-N 3.17Å |
| 221 | R | 79.1 | Confident | 76.5 | Confident | 244 Ų | 244 | 132.2 Ų | 132.2 | 92% | 0.921 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 123 | 177.8 | -176.3 | 175.1 | -177 | 149.1 | 2.9 | 109.7 | S219 | S219-R221 PolarHBondContact O-N 3.48Å; S219-R221 VanDerWaalsContact O-N 3.16Å |
| 222 | A | 86.6 | Confident | 79 | Confident | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 141.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | K220 T224 | K220-A222 PolarHBondContact O-N 3.02Å; K220-A222 VanDerWaalsContact O-N 3.17Å; A222-T224 PolarHBondContact O-N 3.41Å |
| 223 | R | 90.1 | Very high | 81.6 | Confident | 244 Ų | 244 | 127.2 Ų | 127.2 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 119.9 | 175.5 | -179.8 | -177.2 | -71 | 176.6 | -2.6 | 108.5 | | |
| 224 | T | 89.1 | Confident | 83.8 | Confident | 101 Ų | 101 | 118.6 Ų | 118.6 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 134.2 | 170.1 | 53.6 | 0 | 0 | 0 | 0 | 110 | A222 | A222-T224 PolarHBondContact O-N 3.41Š|
| 225 | A | 95 | Very high | 86 | Confident | 92 Ų | 92 | 114.6 Ų | 114.6 | 76% | 0.76 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 158.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 226 | Y | 97.7 | Very high | 88 | Confident | 62 Ų | 62 | 110.8 Ų | 110.8 | 24% | 0.243 | 56% | 0.561 | C | S | . | * | P | Polyproline II helix | trans | -94 | 148.4 | 168.7 | -59.3 | -57 | 0 | 0 | 0 | 109.4 | Q230 L231 L258 Q262 W266 | Y226-Q230 VanDerWaalsContact CA-OE1 3.32Å; Y226-L231 HydrophobicContact CD2-CD2 4.16Å; Y226-L258 HydrophobicContact CD1-CD1 3.85Å; Y226-L258 HydrophobicContact CD1-CD2 3.84Å; Y226-L258 HydrophobicContact CE1-CD1 3.76Å; Y226-L258 HydrophobicContact CE1-CD2 3.74Å; Y226-L258 HydrophobicContact CE1-CG 4.41Å; Y226-Q262 HydrophobicContact CE1-CB 4.39Å; Y226-W266 AromaticContact CD2-CD1 3.98Å; Y226-W266 AromaticContact CE2-CD1 3.69Å |
| 227 | T | 98 | Very high | 90 | Very high | 71 Ų | 71 | 106.9 Ų | 106.9 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -71 | 160.2 | 173.9 | 67.2 | 0 | 0 | 0 | 0 | 110.9 | T229 Q230 L231 | T227-T229 PolarHBondContact O-N 3.11Å; T227-T229 PolarHBondContact OG1-OG1 3.19Å; T227-Q230 PolarHBondContact O-N 3.31Å; T227-Q230 WeakPolarHBondContact OG1-CB 3.34Å; T227-Q230 VanDerWaalsContact OG1-CG 3.26Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.38Å; T227-Q230 PolarHBondContact OG1-N 2.84Å; T227-Q230 VanDerWaalsContact OG1-N 3.11Å; T227-L231 WeakPolarHBondContact O-CG 3.34Å; T227-L231 PolarHBondContact O-N 3.43Å |
| 228 | Q | 98.1 | Very high | 91.8 | Very high | 133 Ų | 133 | 97.1 Ų | 97.1 | 62% | 0.621 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.8 | -39.1 | 174.9 | -175.9 | 59.3 | 23.3 | 0 | 0 | 112 | L231 I232 | Q228-L231 PolarHBondContact O-N 3.41Å; Q228-I232 HydrophobicContact CG-CD1 4.06Å; Q228-I232 WeakPolarHBondContact O-CG1 3.43Å; Q228-I232 PolarHBondContact O-N 2.86Å |
| 229 | T | 98 | Very high | 93.4 | Very high | 100 Ų | 100 | 96 Ų | 96 | 61% | 0.613 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 175.8 | 49.7 | 0 | 0 | 0 | 0 | 112.6 | T227 L231 I232 E233 | T227-T229 PolarHBondContact O-N 3.11Å; T227-T229 PolarHBondContact OG1-OG1 3.19Å; T229-L231 VanDerWaalsContact C-N 3.3Å; T229-L231 PolarHBondContact O-N 3.16Å; T229-I232 PolarHBondContact O-N 3.22Å; T229-E233 PolarHBondContact O-N 3.23Å |
| 230 | Q | 98.4 | Very high | 94.7 | Very high | 28 Ų | 28 | 97.1 Ų | 97.1 | 13% | 0.131 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 174.3 | -74.2 | 171 | -21.6 | 0 | 0 | 111.7 | Y226 T227 L234 L256 L258 | Y226-Q230 VanDerWaalsContact CA-OE1 3.32Å; T227-Q230 PolarHBondContact O-N 3.31Å; T227-Q230 WeakPolarHBondContact OG1-CB 3.34Å; T227-Q230 VanDerWaalsContact OG1-CG 3.26Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.38Å; T227-Q230 PolarHBondContact OG1-N 2.84Å; T227-Q230 VanDerWaalsContact OG1-N 3.11Å; Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.43Å; Q230-L234 VanDerWaalsContact O-CD1 3.31Å; Q230-L234 WeakPolarHBondContact O-CD1 3.43Å; Q230-L234 WeakPolarHBondContact O-CG 3.48Å; Q230-L234 PolarHBondContact O-N 3.33Å; Q230-L256 HydrophobicContact CG-CB 4.33Å; Q230-L256 PolarHBondContact NE2-O 3.29Å; Q230-L258 HydrophobicContact CG-CD1 4.49Å |
| 231 | L | 98.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 89.6 Ų | 89.6 | 30% | 0.304 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 179.1 | -69.1 | 173.7 | 0 | 0 | 0 | 112.7 | Y226 T227 Q228 T229 L234 E235 | Y226-L231 HydrophobicContact CD2-CD2 4.16Å; T227-L231 WeakPolarHBondContact O-CG 3.34Å; T227-L231 PolarHBondContact O-N 3.43Å; Q228-L231 PolarHBondContact O-N 3.41Å; T229-L231 VanDerWaalsContact C-N 3.3Å; T229-L231 PolarHBondContact O-N 3.16Å; L231-L234 PolarHBondContact O-N 3.29Å; L231-E235 WeakPolarHBondContact O-CB 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.02Å; L231-E235 PolarHBondContact O-N 3.11Å |
| 232 | I | 98.3 | Very high | 96.6 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 46% | 0.462 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -50.4 | 177.8 | -70.3 | 164.6 | 0 | 0 | 0 | 110.6 | Q228 T229 L234 E235 K236 | Q228-I232 HydrophobicContact CG-CD1 4.06Å; Q228-I232 WeakPolarHBondContact O-CG1 3.43Å; Q228-I232 PolarHBondContact O-N 2.86Å; T229-I232 PolarHBondContact O-N 3.22Å; I232-L234 PolarHBondContact O-N 3.05Å; I232-E235 PolarHBondContact O-N 3.29Å; I232-K236 WeakPolarHBondContact O-CB 3.34Å; I232-K236 PolarHBondContact O-N 2.84Å |
| 233 | E | 98.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 84.5 Ų | 84.5 | 35% | 0.35 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 178.9 | -67.3 | -55.6 | 127.6 | 0 | 0 | 112.2 | T229 E235 K236 E237 L256 | T229-E233 PolarHBondContact O-N 3.23Å; E233-E235 PolarHBondContact O-N 3.42Å; E233-K236 PolarHBondContact O-N 3.3Å; E233-E237 WeakPolarHBondContact O-CB 3.36Å; E233-E237 WeakPolarHBondContact O-CG 3.38Å; E233-E237 PolarHBondContact O-N 3.43Å; E233-L256 HydrophobicContact CB-CD1 4.11Å; E233-L256 HydrophobicContact CB-CD2 3.65Å; E233-L256 HydrophobicContact CB-CG 4.48Å; E233-L256 HydrophobicContact CG-CD2 3.94Å |
| 234 | L | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 174.4 | -75.1 | 167 | 0 | 0 | 0 | 112.7 | Q230 L231 I232 F238 I252 L256 L258 I263 W266 F267 | Q230-L234 VanDerWaalsContact O-CB 3.3Å; Q230-L234 WeakPolarHBondContact O-CB 3.43Å; Q230-L234 VanDerWaalsContact O-CD1 3.31Å; Q230-L234 WeakPolarHBondContact O-CD1 3.43Å; Q230-L234 WeakPolarHBondContact O-CG 3.48Å; Q230-L234 PolarHBondContact O-N 3.33Å; L231-L234 PolarHBondContact O-N 3.29Å; I232-L234 PolarHBondContact O-N 3.05Å; L234-F238 WeakPolarHBondContact O-CB 3.25Å; L234-F238 PolarHBondContact O-N 2.79Å; L234-I252 HydrophobicContact CD2-CG2 4.34Å; L234-L256 HydrophobicContact CD1-CD1 4.44Å; L234-L256 HydrophobicContact CD2-CD1 3.94Å; L234-L256 HydrophobicContact CG-CD1 3.7Å; L234-L258 HydrophobicContact CD1-CD1 4.24Å; L234-I263 HydrophobicContact CD2-CD1 3.81Å; L234-W266 HydrophobicContact CB-CD2 3.9Å; L234-W266 HydrophobicContact CB-CE3 3.96Å; L234-W266 HydrophobicContact CB-CH2 3.72Å; L234-W266 HydrophobicContact CB-CZ2 3.63Å; L234-W266 HydrophobicContact CB-CZ3 3.87Å; L234-W266 HydrophobicContact CD1-CD2 3.96Å; L234-W266 HydrophobicContact CD1-CG 3.88Å; L234-W266 HydrophobicContact CD2-CD2 4.16Å; L234-W266 HydrophobicContact CD2-CE3 4.05Å; L234-W266 HydrophobicContact CD2-CG 4.45Å; L234-W266 HydrophobicContact CG-CD2 4.23Å; L234-W266 HydrophobicContact CG-CE3 4.43Å; L234-W266 WeakPolarHBondContact O-CH2 3.21Å; L234-W266 VanDerWaalsContact O-CZ3 3.25Å; L234-W266 WeakPolarHBondContact O-CZ3 3.45Å; L234-F267 HydrophobicContact CD2-CE2 4Å |
| 235 | E | 98.5 | Very high | 97.9 | Very high | 51 Ų | 51 | 73.4 Ų | 73.4 | 24% | 0.238 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 174 | -72.4 | -73.1 | 165.9 | 0 | 0 | 111.5 | L231 I232 E233 E237 F238 W239 W266 R270 | L231-E235 WeakPolarHBondContact O-CB 3.26Å; L231-E235 WeakPolarHBondContact O-CG 3.02Å; L231-E235 PolarHBondContact O-N 3.11Å; I232-E235 PolarHBondContact O-N 3.29Å; E233-E235 PolarHBondContact O-N 3.42Å; E235-E237 PolarHBondContact O-N 2.89Å; E235-F238 WeakPolarHBondContact O-CB 3.48Å; E235-F238 PolarHBondContact O-N 3.33Å; E235-F238 VanDerWaalsContact O-N 3.13Å; E235-W239 PolarHBondContact O-N 3.23Å; E235-W266 HydrophobicContact CG-CH2 4.19Å; E235-W266 HydrophobicContact CG-CZ2 4.07Å; E235-R270 WeakPolarHBondContact OE1-CD 3.41Å; E235-R270 IonicContact OE1-CZ 3.16Å; E235-R270 IonicContact OE1-NE 2.77Å; E235-R270 PolarHBondContact OE1-NE 2.86Å; E235-R270 IonicContact OE1-NH2 2.71Å; E235-R270 IonicContact OE2-CZ 2.66Å; E235-R270 IonicContact OE2-NE 3.94Å; E235-R270 PolarHBondContact OE2-NE 3.01Å; E235-R270 IonicContact OE2-NH2 3.78Å; E235-R270 PolarHBondContact OE2-NH2 2.76Å |
| 236 | K | 98.2 | Very high | 98 | Very high | 83 Ų | 83 | 75.5 Ų | 75.5 | 36% | 0.361 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -55.1 | -50.2 | 174.3 | 178.9 | -177.4 | 174.7 | -179.8 | 0 | 111.3 | I232 E233 F238 W239 Y240 N335 | I232-K236 WeakPolarHBondContact O-CB 3.34Å; I232-K236 PolarHBondContact O-N 2.84Å; E233-K236 PolarHBondContact O-N 3.3Å; K236-F238 VanDerWaalsContact C-N 3.32Å; K236-F238 PolarHBondContact O-N 2.91Å; K236-W239 PolarHBondContact O-N 3.33Å; K236-Y240 PolarHBondContact O-N 3.07Å; K236-N335 WeakPolarHBondContact CE-OD1 3.44Å; K236-N335 PolarHBondContact NZ-OD1 3.08Å |
| 237 | E | 98.3 | Very high | 98.1 | Very high | 13 Ų | 13 | 77 Ų | 77 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.3 | -34.5 | 176.4 | -71.9 | -61.6 | 122.8 | 0 | 0 | 112.9 | E233 E235 Y240 S241 R248 I252 F267 | E233-E237 WeakPolarHBondContact O-CB 3.36Å; E233-E237 WeakPolarHBondContact O-CG 3.38Å; E233-E237 PolarHBondContact O-N 3.43Å; E235-E237 PolarHBondContact O-N 2.89Å; E237-Y240 PolarHBondContact O-N 2.87Å; E237-S241 PolarHBondContact O-N 3.01Å; E237-S241 VanDerWaalsContact O-O 3.09Å; E237-R248 IonicContact OE1-CZ 2.74Å; E237-R248 IonicContact OE1-NE 3.85Å; E237-R248 IonicContact OE1-NH2 2.72Å; E237-R248 PolarHBondContact OE1-NH2 2.98Å; E237-R248 IonicContact OE2-CZ 3.87Å; E237-R248 IonicContact OE2-NE 3.64Å; E237-R248 PolarHBondContact OE2-NE 3.45Å; E237-R248 IonicContact OE2-NH2 2.72Å; E237-R248 PolarHBondContact OE2-NH2 3.44Å; E237-R248 VanDerWaalsContact OE2-NH2 3.13Å; E237-I252 HydrophobicContact CB-CD1 4.02Å; E237-I252 HydrophobicContact CG-CD1 3.68Å; E237-I252 HydrophobicContact CG-CG1 4.01Å; E237-I252 WeakPolarHBondContact OE2-CD1 3.35Å; E237-F267 HydrophobicContact CB-CZ 3.89Å |
| 238 | F | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -35.9 | 175.8 | -174.2 | -98 | 0 | 0 | 0 | 113.3 | L234 E235 K236 S241 Q242 W266 F267 R270 R271 F274 | L234-F238 WeakPolarHBondContact O-CB 3.25Å; L234-F238 PolarHBondContact O-N 2.79Å; E235-F238 WeakPolarHBondContact O-CB 3.48Å; E235-F238 PolarHBondContact O-N 3.33Å; E235-F238 VanDerWaalsContact O-N 3.13Å; K236-F238 VanDerWaalsContact C-N 3.32Å; K236-F238 PolarHBondContact O-N 2.91Å; F238-S241 CarbonylContact O-C 3.25Å; F238-S241 VanDerWaalsContact O-C 3.25Å; F238-Q242 HydrophobicContact CD2-CB 4.47Å; F238-Q242 HydrophobicContact CE1-CG 4.01Å; F238-Q242 HydrophobicContact CE2-CB 3.85Å; F238-Q242 HydrophobicContact CE2-CG 4.08Å; F238-Q242 HydrophobicContact CZ-CB 3.95Å; F238-Q242 HydrophobicContact CZ-CG 3.74Å; F238-Q242 PolarHBondContact O-N 3.02Å; F238-W266 HydrophobicContact CB-CH2 4.06Å; F238-W266 HydrophobicContact CB-CZ3 3.95Å; F238-W266 HydrophobicContact CD2-CZ3 4.35Å; F238-W266 HydrophobicContact CG-CZ3 4.4Å; F238-F267 HydrophobicContact CB-CE1 4.19Å; F238-F267 HydrophobicContact CB-CZ 4.39Å; F238-F267 AromaticContact CD2-CD1 3.92Å; F238-F267 HydrophobicContact CD2-CD1 3.92Å; F238-F267 AromaticContact CD2-CE1 3.92Å; F238-F267 HydrophobicContact CD2-CE1 3.92Å; F238-R270 HydrophobicContact CB-CG 4.29Å; F238-R270 HydrophobicContact CD1-CG 3.7Å; F238-R270 HydrophobicContact CD2-CB 4.02Å; F238-R270 HydrophobicContact CD2-CG 3.46Å; F238-R270 VanDerWaalsContact CD2-CG 3.46Å; F238-R270 HydrophobicContact CE1-CG 3.86Å; F238-R270 HydrophobicContact CE2-CB 4.06Å; F238-R270 HydrophobicContact CE2-CG 3.62Å; F238-R270 HydrophobicContact CG-CG 3.5Å; F238-R270 HydrophobicContact CZ-CG 3.82Å; F238-R271 HydrophobicContact CE2-CG 3.67Å; F238-R271 HydrophobicContact CZ-CG 4.1Å; F238-F274 HydrophobicContact CE1-CB 4.19Å; F238-F274 HydrophobicContact CE1-CD2 4.28Å; F238-F274 HydrophobicContact CE1-CG 4.15Å; F238-F274 HydrophobicContact CZ-CB 4.01Å; F238-F274 HydrophobicContact CZ-CD1 4.49Å; F238-F274 HydrophobicContact CZ-CG 4.21Å |
| 239 | W | 97.3 | Very high | 98.1 | Very high | 164 Ų | 164 | 73 Ų | 73 | 62% | 0.621 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.6 | -33.8 | 174.3 | -70.3 | 116.4 | 0 | 0 | 0 | 112.3 | E235 K236 F274 | E235-W239 PolarHBondContact O-N 3.23Å; K236-W239 PolarHBondContact O-N 3.33Å; W239-F274 HydrophobicContact CH2-CE2 4.25Å; W239-F274 HydrophobicContact CZ3-CE2 4.26Å |
| 240 | Y | 97.6 | Very high | 98.1 | Very high | 140 Ų | 140 | 71.3 Ų | 71.3 | 55% | 0.549 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 171.2 | -177.9 | -102.3 | 0 | 0 | 0 | 112.1 | K236 E237 | K236-Y240 PolarHBondContact O-N 3.07Å; E237-Y240 PolarHBondContact O-N 2.87Å |
| 241 | S | 97.5 | Very high | 98.1 | Very high | 45 Ų | 45 | 74.4 Ų | 74.4 | 32% | 0.315 | 35% | 0.345 | S | S | . | . | | | trans | -151.4 | 127.4 | 169.3 | 179.8 | 0 | 0 | 0 | 0 | 112.3 | E237 F238 Y243 F267 | E237-S241 PolarHBondContact O-N 3.01Å; E237-S241 VanDerWaalsContact O-O 3.09Å; F238-S241 CarbonylContact O-C 3.25Å; F238-S241 VanDerWaalsContact O-C 3.25Å; S241-Y243 PolarHBondContact O-N 2.92Å; S241-Y243 PolarHBondContact OG-N 2.82Å; S241-Y243 PolarHBondContact OG-O 2.76Å; S241-F267 WeakPolarHBondContact O-CE1 3.21Å |
| 242 | Q | 97.6 | Very high | 98.1 | Very high | 65 Ų | 65 | 72 Ų | 72 | 30% | 0.304 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -68.8 | -8.9 | 177.6 | -57.7 | -177.2 | 7.8 | 0 | 0 | 113.3 | F238 R271 F274 | F238-Q242 HydrophobicContact CD2-CB 4.47Å; F238-Q242 HydrophobicContact CE1-CG 4.01Å; F238-Q242 HydrophobicContact CE2-CB 3.85Å; F238-Q242 HydrophobicContact CE2-CG 4.08Å; F238-Q242 HydrophobicContact CZ-CB 3.95Å; F238-Q242 HydrophobicContact CZ-CG 3.74Å; F238-Q242 PolarHBondContact O-N 3.02Å; Q242-R271 WeakPolarHBondContact O-CD 3.48Å; Q242-R271 PolarHBondContact O-NH1 3.49Å; Q242-F274 VanDerWaalsContact NE2-CE1 3.29Å |
| 243 | Y | 98.3 | Very high | 98.1 | Very high | 159 Ų | 159 | 68.2 Ų | 68.2 | 62% | 0.624 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -136.6 | 126.6 | -178.2 | -64.6 | -101 | 0 | 0 | 0 | 110.6 | S241 | S241-Y243 PolarHBondContact O-N 2.92Å; S241-Y243 PolarHBondContact OG-N 2.82Å; S241-Y243 PolarHBondContact OG-O 2.76Å |
| 244 | L | 97.6 | Very high | 98.1 | Very high | 33 Ų | 33 | 68.5 Ų | 68.5 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | | | trans | -97.9 | 130.1 | 179.3 | -62.4 | 179.2 | 0 | 0 | 0 | 112.2 | R248 R249 I252 I263 F267 | L244-R248 HydrophobicContact CD2-CG 3.95Å; L244-R249 HydrophobicContact CB-CB 4.26Å; L244-R249 HydrophobicContact CD1-CB 4.29Å; L244-R249 HydrophobicContact CD1-CG 4.47Å; L244-I252 HydrophobicContact CD1-CD1 3.65Å; L244-I252 HydrophobicContact CD2-CD1 3.7Å; L244-I252 HydrophobicContact CG-CD1 4.34Å; L244-I263 HydrophobicContact CD1-CG2 3.48Å; L244-I263 VanDerWaalsContact CD1-CG2 3.48Å; L244-F267 HydrophobicContact CD1-CD1 4.22Å; L244-F267 HydrophobicContact CD1-CD2 3.63Å; L244-F267 HydrophobicContact CD1-CE1 4.02Å; L244-F267 HydrophobicContact CD1-CE2 3.43Å; L244-F267 VanDerWaalsContact CD1-CE2 3.43Å; L244-F267 HydrophobicContact CD1-CG 4.05Å; L244-F267 HydrophobicContact CD1-CZ 3.64Å; L244-F267 HydrophobicContact CD2-CE1 3.92Å; L244-F267 HydrophobicContact CD2-CZ 3.87Å; L244-F267 HydrophobicContact CG-CD1 3.9Å; L244-F267 HydrophobicContact CG-CD2 4.23Å; L244-F267 HydrophobicContact CG-CE1 3.65Å; L244-F267 HydrophobicContact CG-CE2 4.04Å; L244-F267 HydrophobicContact CG-CG 4.2Å; L244-F267 HydrophobicContact CG-CZ 3.74Å |
| 245 | C | 97.8 | Very high | 98.1 | Very high | 78 Ų | 78 | 73.1 Ų | 73.1 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | | | trans | -67 | 169.9 | 162.8 | 64.6 | 0 | 0 | 0 | 0 | 111.2 | R248 R249 | C245-R248 VanDerWaalsContact SG-CB 3.58Å; C245-R249 WeakPolarHBondContact O-CB 3.12Å; C245-R249 PolarHBondContact O-N 3.18Å |
| 246 | R | 97.9 | Very high | 98.1 | Very high | 137 Ų | 137 | 71.5 Ų | 71.5 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.6 | -48.7 | 179.7 | 177 | 160.6 | -178.9 | 70.9 | 19.8 | 113 | R248 R249 I250 E260 | R246-R248 PolarHBondContact O-N 3.13Å; R246-R249 VanDerWaalsContact NH1-NH2 3.2Å; R246-R249 PolarHBondContact O-N 3.22Å; R246-I250 HydrophobicContact CG-CD1 3.82Å; R246-I250 HydrophobicContact CG-CG1 4.45Å; R246-I250 WeakPolarHBondContact O-CG1 3.4Å; R246-I250 PolarHBondContact O-N 2.71Å; R246-I250 VanDerWaalsContact O-N 3.14Å; R246-E260 IonicContact CZ-OE1 2.96Å; R246-E260 VanDerWaalsContact CZ-OE1 3.29Å; R246-E260 IonicContact CZ-OE2 2.87Å; R246-E260 IonicContact NH1-OE1 3.91Å; R246-E260 PolarHBondContact NH1-OE1 3.26Å; R246-E260 IonicContact NH1-OE2 3.29Å; R246-E260 PolarHBondContact NH1-OE2 2.97Å; R246-E260 IonicContact NH2-OE1 2.75Å; R246-E260 PolarHBondContact NH2-OE1 3.43Å |
| 247 | P | 98.1 | Very high | 98.1 | Very high | 94 Ų | 94 | 76.6 Ų | 76.6 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.5 | -52.3 | -179.9 | -26.8 | 35.8 | 0 | 0 | 0 | 112.9 | R249 I250 E251 | P247-R249 VanDerWaalsContact C-N 3.26Å; P247-R249 PolarHBondContact O-N 3.09Å; P247-I250 WeakPolarHBondContact O-CB 3.38Å; P247-I250 PolarHBondContact O-N 3.37Å; P247-E251 PolarHBondContact O-N 3.41Å |
| 248 | R | 98.3 | Very high | 98 | Very high | 75 Ų | 75 | 76.8 Ų | 76.8 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 179.6 | -171 | 57.2 | 174.8 | -176.7 | 4.5 | 112.8 | E237 L244 C245 R246 E251 I252 | E237-R248 IonicContact OE1-CZ 2.74Å; E237-R248 IonicContact OE1-NE 3.85Å; E237-R248 IonicContact OE1-NH2 2.72Å; E237-R248 PolarHBondContact OE1-NH2 2.98Å; E237-R248 IonicContact OE2-CZ 3.87Å; E237-R248 IonicContact OE2-NE 3.64Å; E237-R248 PolarHBondContact OE2-NE 3.45Å; E237-R248 IonicContact OE2-NH2 2.72Å; E237-R248 PolarHBondContact OE2-NH2 3.44Å; E237-R248 VanDerWaalsContact OE2-NH2 3.13Å; L244-R248 HydrophobicContact CD2-CG 3.95Å; C245-R248 VanDerWaalsContact SG-CB 3.58Å; R246-R248 PolarHBondContact O-N 3.13Å; R248-E251 WeakPolarHBondContact CD-OE2 3.4Å; R248-E251 IonicContact CZ-OE1 2.76Å; R248-E251 IonicContact CZ-OE2 2.82Å; R248-E251 IonicContact NE-OE2 2.76Å; R248-E251 IonicContact NH1-OE1 3.75Å; R248-E251 PolarHBondContact NH1-OE1 2.8Å; R248-E251 IonicContact NH1-OE2 3.17Å; R248-E251 PolarHBondContact NH1-OE2 3.08Å; R248-E251 PolarHBondContact O-N 2.97Å; R248-I252 HydrophobicContact CG-CD1 3.83Å; R248-I252 HydrophobicContact CG-CG1 4.36Å; R248-I252 WeakPolarHBondContact O-CD1 3.34Å; R248-I252 VanDerWaalsContact O-CG1 3.23Å; R248-I252 WeakPolarHBondContact O-CG1 3.31Å; R248-I252 PolarHBondContact O-N 3.42Å |
| 249 | R | 98.5 | Very high | 98 | Very high | 43 Ų | 43 | 80.5 Ų | 80.5 | 16% | 0.162 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -67.1 | -35.1 | 175 | -174 | 177.3 | 63.7 | -107.3 | -10.9 | 112.8 | L244 C245 R246 P247 A253 E260 I263 | L244-R249 HydrophobicContact CB-CB 4.26Å; L244-R249 HydrophobicContact CD1-CB 4.29Å; L244-R249 HydrophobicContact CD1-CG 4.47Å; C245-R249 WeakPolarHBondContact O-CB 3.12Å; C245-R249 PolarHBondContact O-N 3.18Å; R246-R249 VanDerWaalsContact NH1-NH2 3.2Å; R246-R249 PolarHBondContact O-N 3.22Å; P247-R249 VanDerWaalsContact C-N 3.26Å; P247-R249 PolarHBondContact O-N 3.09Å; R249-A253 WeakPolarHBondContact O-CB 3.3Å; R249-A253 PolarHBondContact O-N 3.35Å; R249-A253 VanDerWaalsContact O-N 3.11Å; R249-E260 HydrophobicContact CG-CB 4.43Å; R249-E260 HydrophobicContact CG-CG 4.41Å; R249-E260 IonicContact CZ-OE2 3.13Å; R249-E260 IonicContact NE-OE2 3.34Å; R249-E260 PolarHBondContact NE-OE2 3.16Å; R249-E260 IonicContact NH2-OE2 3.89Å; R249-E260 PolarHBondContact NH2-OE2 2.95Å; R249-I263 HydrophobicContact CG-CB 4.09Å; R249-I263 HydrophobicContact CG-CG2 3.9Å |
| 250 | I | 98.5 | Very high | 98.1 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.6 | -44.4 | 175.5 | -65 | 163.2 | 0 | 0 | 0 | 109.9 | R246 P247 A253 S254 E260 | R246-I250 HydrophobicContact CG-CD1 3.82Å; R246-I250 HydrophobicContact CG-CG1 4.45Å; R246-I250 WeakPolarHBondContact O-CG1 3.4Å; R246-I250 PolarHBondContact O-N 2.71Å; R246-I250 VanDerWaalsContact O-N 3.14Å; P247-I250 WeakPolarHBondContact O-CB 3.38Å; P247-I250 PolarHBondContact O-N 3.37Å; I250-A253 WeakPolarHBondContact O-CB 3.36Å; I250-A253 PolarHBondContact O-N 2.94Å; I250-S254 PolarHBondContact O-N 2.84Å; I250-S254 PolarHBondContact O-OG 3.34Å; I250-E260 HydrophobicContact CG1-CG 4.25Å |
| 251 | E | 98.5 | Very high | 98.1 | Very high | 94 Ų | 94 | 76.2 Ų | 76.2 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 178.6 | -169.1 | -168 | 166.4 | 0 | 0 | 112.8 | P247 R248 A253 S254 T255 | P247-E251 PolarHBondContact O-N 3.41Å; R248-E251 WeakPolarHBondContact CD-OE2 3.4Å; R248-E251 IonicContact CZ-OE1 2.76Å; R248-E251 IonicContact CZ-OE2 2.82Å; R248-E251 IonicContact NE-OE2 2.76Å; R248-E251 IonicContact NH1-OE1 3.75Å; R248-E251 PolarHBondContact NH1-OE1 2.8Å; R248-E251 IonicContact NH1-OE2 3.17Å; R248-E251 PolarHBondContact NH1-OE2 3.08Å; R248-E251 PolarHBondContact O-N 2.97Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.22Å; E251-S254 PolarHBondContact O-N 3.36Å; E251-S254 PolarHBondContact O-OG 3.39Å; E251-T255 WeakPolarHBondContact O-CB 3.32Å; E251-T255 PolarHBondContact O-N 3.48Å; E251-T255 PolarHBondContact O-OG1 3.49Å |
| 252 | I | 98.2 | Very high | 98.1 | Very high | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.4 | -61.4 | 161.9 | 0 | 0 | 0 | 110.6 | L234 E237 L244 R248 L256 I263 | L234-I252 HydrophobicContact CD2-CG2 4.34Å; E237-I252 HydrophobicContact CB-CD1 4.02Å; E237-I252 HydrophobicContact CG-CD1 3.68Å; E237-I252 HydrophobicContact CG-CG1 4.01Å; E237-I252 WeakPolarHBondContact OE2-CD1 3.35Å; L244-I252 HydrophobicContact CD1-CD1 3.65Å; L244-I252 HydrophobicContact CD2-CD1 3.7Å; L244-I252 HydrophobicContact CG-CD1 4.34Å; R248-I252 HydrophobicContact CG-CD1 3.83Å; R248-I252 HydrophobicContact CG-CG1 4.36Å; R248-I252 WeakPolarHBondContact O-CD1 3.34Å; R248-I252 VanDerWaalsContact O-CG1 3.23Å; R248-I252 WeakPolarHBondContact O-CG1 3.31Å; R248-I252 PolarHBondContact O-N 3.42Å; I252-L256 HydrophobicContact CG2-CD1 3.61Å; I252-L256 HydrophobicContact CG2-CG 4.04Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.41Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.71Å; I252-I263 HydrophobicContact CG2-CD1 3.86Å; I252-I263 HydrophobicContact CG2-CG1 4.5Å; I252-I263 HydrophobicContact CG2-CG2 4.46Å |
| 253 | A | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 7% | 0.074 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | R249 I250 E251 K257 L258 E260 I263 | R249-A253 WeakPolarHBondContact O-CB 3.3Å; R249-A253 PolarHBondContact O-N 3.35Å; R249-A253 VanDerWaalsContact O-N 3.11Å; I250-A253 WeakPolarHBondContact O-CB 3.36Å; I250-A253 PolarHBondContact O-N 2.94Å; E251-A253 VanDerWaalsContact C-N 3.3Å; E251-A253 PolarHBondContact O-N 3.22Å; A253-K257 PolarHBondContact O-N 3.12Å; A253-K257 VanDerWaalsContact O-N 3.12Å; A253-L258 CarbonylContact C-O 3.38Å; A253-L258 VanDerWaalsContact CA-O 3.32Å; A253-L258 WeakPolarHBondContact CA-O 3.45Å; A253-L258 WeakPolarHBondContact CB-O 3.47Å; A253-L258 PolarHBondContact O-N 3.01Å; A253-E260 HydrophobicContact CB-CG 4.29Å; A253-I263 HydrophobicContact CB-CG1 3.99Å |
| 254 | S | 98.2 | Very high | 98.1 | Very high | 82 Ų | 82 | 72.3 Ų | 72.3 | 57% | 0.573 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.9 | -47.2 | 177.7 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | I250 E251 L256 K257 | I250-S254 PolarHBondContact O-N 2.84Å; I250-S254 PolarHBondContact O-OG 3.34Å; E251-S254 PolarHBondContact O-N 3.36Å; E251-S254 PolarHBondContact O-OG 3.39Å; S254-L256 PolarHBondContact O-N 3.28Å; S254-K257 PolarHBondContact O-N 3.2Å |
| 255 | T | 98 | Very high | 98.1 | Very high | 97 Ų | 97 | 73.5 Ų | 73.5 | 60% | 0.595 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.6 | -45.9 | -178.9 | -55.4 | 0 | 0 | 0 | 0 | 112 | E251 K257 | E251-T255 WeakPolarHBondContact O-CB 3.32Å; E251-T255 PolarHBondContact O-N 3.48Å; E251-T255 PolarHBondContact O-OG1 3.49Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 3.45Å |
| 256 | L | 97.9 | Very high | 98.2 | Very high | 18 Ų | 18 | 71 Ų | 71 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -86.6 | -1.3 | -177.3 | -59 | -171.4 | 0 | 0 | 0 | 113.9 | Q230 E233 L234 I252 S254 L258 | Q230-L256 HydrophobicContact CG-CB 4.33Å; Q230-L256 PolarHBondContact NE2-O 3.29Å; E233-L256 HydrophobicContact CB-CD1 4.11Å; E233-L256 HydrophobicContact CB-CD2 3.65Å; E233-L256 HydrophobicContact CB-CG 4.48Å; E233-L256 HydrophobicContact CG-CD2 3.94Å; L234-L256 HydrophobicContact CD1-CD1 4.44Å; L234-L256 HydrophobicContact CD2-CD1 3.94Å; L234-L256 HydrophobicContact CG-CD1 3.7Å; I252-L256 HydrophobicContact CG2-CD1 3.61Å; I252-L256 HydrophobicContact CG2-CG 4.04Å; I252-L256 VanDerWaalsContact O-CB 3.32Å; I252-L256 WeakPolarHBondContact O-CB 3.41Å; I252-L256 WeakPolarHBondContact O-CG 3.38Å; I252-L256 PolarHBondContact O-N 2.71Å; S254-L256 PolarHBondContact O-N 3.28Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 HydrophobicContact CB-CD1 4.2Å; L256-L258 HydrophobicContact CB-CG 4.18Å; L256-L258 PolarHBondContact O-N 3.43Å |
| 257 | K | 98.1 | Very high | 98.2 | Very high | 190 Ų | 190 | 64.7 Ų | 64.7 | 83% | 0.826 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 43.6 | -174.3 | -56.5 | 179.8 | -178.9 | 178.4 | 0 | 112.2 | A253 S254 T255 | A253-K257 PolarHBondContact O-N 3.12Å; A253-K257 VanDerWaalsContact O-N 3.12Å; S254-K257 PolarHBondContact O-N 3.2Å; T255-K257 VanDerWaalsContact C-N 3.33Å; T255-K257 PolarHBondContact O-N 3.45Å |
| 258 | L | 97.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 65.2 Ų | 65.2 | 9% | 0.089 | 32% | 0.32 | C | S | . | . | | | trans | -120.9 | 151.5 | 178.1 | -66.4 | -179 | 0 | 0 | 0 | 109.8 | Y226 Q230 L234 A253 L256 Q262 I263 | Y226-L258 HydrophobicContact CD1-CD1 3.85Å; Y226-L258 HydrophobicContact CD1-CD2 3.84Å; Y226-L258 HydrophobicContact CE1-CD1 3.76Å; Y226-L258 HydrophobicContact CE1-CD2 3.74Å; Y226-L258 HydrophobicContact CE1-CG 4.41Å; Q230-L258 HydrophobicContact CG-CD1 4.49Å; L234-L258 HydrophobicContact CD1-CD1 4.24Å; A253-L258 CarbonylContact C-O 3.38Å; A253-L258 VanDerWaalsContact CA-O 3.32Å; A253-L258 WeakPolarHBondContact CA-O 3.45Å; A253-L258 WeakPolarHBondContact CB-O 3.47Å; A253-L258 PolarHBondContact O-N 3.01Å; L256-L258 VanDerWaalsContact C-N 3.28Å; L256-L258 HydrophobicContact CB-CD1 4.2Å; L256-L258 HydrophobicContact CB-CG 4.18Å; L256-L258 PolarHBondContact O-N 3.43Å; L258-Q262 HydrophobicContact CB-CB 4.32Å; L258-I263 HydrophobicContact CB-CD1 3.88Å; L258-I263 HydrophobicContact CB-CG1 4.42Å; L258-I263 HydrophobicContact CD1-CD1 3.87Å; L258-I263 HydrophobicContact CG-CD1 4.49Å |
| 259 | T | 98.1 | Very high | 98.2 | Very high | 78 Ų | 78 | 66.5 Ų | 66.5 | 48% | 0.479 | 33% | 0.333 | S | S | . | . | | | trans | -70.6 | 148.9 | 173.1 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | K261 Q262 I263 | T259-K261 PolarHBondContact O-N 3.12Å; T259-Q262 WeakPolarHBondContact O-CA 3.38Å; T259-Q262 WeakPolarHBondContact O-CB 3.5Å; T259-Q262 PolarHBondContact O-N 3.22Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.38Å; T259-Q262 PolarHBondContact OG1-N 3.5Å; T259-Q262 PolarHBondContact OG1-OE1 3.11Å; T259-I263 PolarHBondContact O-N 2.72Å; T259-I263 VanDerWaalsContact O-N 3.12Å |
| 260 | E | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -48.4 | -35.4 | 171.2 | -77.6 | -159.4 | -95.5 | 0 | 0 | 112.6 | R246 R249 I250 A253 I263 K264 | R246-E260 IonicContact CZ-OE1 2.96Å; R246-E260 VanDerWaalsContact CZ-OE1 3.29Å; R246-E260 IonicContact CZ-OE2 2.87Å; R246-E260 IonicContact NH1-OE1 3.91Å; R246-E260 PolarHBondContact NH1-OE1 3.26Å; R246-E260 IonicContact NH1-OE2 3.29Å; R246-E260 PolarHBondContact NH1-OE2 2.97Å; R246-E260 IonicContact NH2-OE1 2.75Å; R246-E260 PolarHBondContact NH2-OE1 3.43Å; R249-E260 HydrophobicContact CG-CB 4.43Å; R249-E260 HydrophobicContact CG-CG 4.41Å; R249-E260 IonicContact CZ-OE2 3.13Å; R249-E260 IonicContact NE-OE2 3.34Å; R249-E260 PolarHBondContact NE-OE2 3.16Å; R249-E260 IonicContact NH2-OE2 3.89Å; R249-E260 PolarHBondContact NH2-OE2 2.95Å; I250-E260 HydrophobicContact CG1-CG 4.25Å; A253-E260 HydrophobicContact CB-CG 4.29Å; E260-I263 PolarHBondContact O-N 2.74Å; E260-K264 WeakPolarHBondContact O-CB 3.41Å; E260-K264 PolarHBondContact O-N 3.03Å |
| 261 | K | 97.7 | Very high | 98.2 | Very high | 161 Ų | 161 | 65.2 Ų | 65.2 | 70% | 0.7 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 176.8 | -176.9 | 173.8 | -179.8 | 171.8 | 0 | 112.3 | T259 V265 | T259-K261 PolarHBondContact O-N 3.12Å; K261-V265 WeakPolarHBondContact O-CB 3.42Å; K261-V265 VanDerWaalsContact O-CG2 3.28Å; K261-V265 WeakPolarHBondContact O-CG2 3.23Å; K261-V265 PolarHBondContact O-N 2.94Å |
| 262 | Q | 97.9 | Very high | 98.1 | Very high | 50 Ų | 50 | 64.7 Ų | 64.7 | 23% | 0.234 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 174.7 | -78 | 162.1 | -68.9 | 0 | 0 | 111 | Y226 L258 T259 K264 V265 W266 | Y226-Q262 HydrophobicContact CE1-CB 4.39Å; L258-Q262 HydrophobicContact CB-CB 4.32Å; T259-Q262 WeakPolarHBondContact O-CA 3.38Å; T259-Q262 WeakPolarHBondContact O-CB 3.5Å; T259-Q262 PolarHBondContact O-N 3.22Å; T259-Q262 WeakPolarHBondContact OG1-CG 3.38Å; T259-Q262 PolarHBondContact OG1-N 3.5Å; T259-Q262 PolarHBondContact OG1-OE1 3.11Å; Q262-K264 PolarHBondContact O-N 2.98Å; Q262-V265 PolarHBondContact O-N 3.42Å; Q262-W266 WeakPolarHBondContact O-CB 3.32Å; Q262-W266 PolarHBondContact O-N 3.42Å |
| 263 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.9 | -50.5 | 174.9 | -54.2 | -58.1 | 0 | 0 | 0 | 110.5 | L234 L244 R249 I252 A253 L258 T259 E260 V265 W266 F267 | L234-I263 HydrophobicContact CD2-CD1 3.81Å; L244-I263 HydrophobicContact CD1-CG2 3.48Å; L244-I263 VanDerWaalsContact CD1-CG2 3.48Å; R249-I263 HydrophobicContact CG-CB 4.09Å; R249-I263 HydrophobicContact CG-CG2 3.9Å; I252-I263 HydrophobicContact CG2-CD1 3.86Å; I252-I263 HydrophobicContact CG2-CG1 4.5Å; I252-I263 HydrophobicContact CG2-CG2 4.46Å; A253-I263 HydrophobicContact CB-CG1 3.99Å; L258-I263 HydrophobicContact CB-CD1 3.88Å; L258-I263 HydrophobicContact CB-CG1 4.42Å; L258-I263 HydrophobicContact CD1-CD1 3.87Å; L258-I263 HydrophobicContact CG-CD1 4.49Å; T259-I263 PolarHBondContact O-N 2.72Å; T259-I263 VanDerWaalsContact O-N 3.12Å; E260-I263 PolarHBondContact O-N 2.74Å; I263-V265 PolarHBondContact O-N 2.81Å; I263-W266 PolarHBondContact O-N 3.38Å; I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.11Å; I263-F267 WeakPolarHBondContact O-CD2 3.43Å; I263-F267 PolarHBondContact O-N 3.26Å |
| 264 | K | 98.1 | Very high | 97.9 | Very high | 136 Ų | 136 | 71.3 Ų | 71.3 | 59% | 0.591 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -56.3 | -45.6 | 178.4 | -177.5 | 175.4 | 179.5 | 175.1 | 0 | 112.5 | E260 Q262 Q268 | E260-K264 WeakPolarHBondContact O-CB 3.41Å; E260-K264 PolarHBondContact O-N 3.03Å; Q262-K264 PolarHBondContact O-N 2.98Å; K264-Q268 WeakPolarHBondContact O-CB 3.28Å; K264-Q268 PolarHBondContact O-N 3.15Å; K264-Q268 VanDerWaalsContact O-N 3.08Å |
| 265 | V | 97.9 | Very high | 97.7 | Very high | 58 Ų | 58 | 73.4 Ų | 73.4 | 35% | 0.352 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 179.1 | 169.8 | 0 | 0 | 0 | 0 | 111.5 | K261 Q262 I263 Q268 N269 | K261-V265 WeakPolarHBondContact O-CB 3.42Å; K261-V265 VanDerWaalsContact O-CG2 3.28Å; K261-V265 WeakPolarHBondContact O-CG2 3.23Å; K261-V265 PolarHBondContact O-N 2.94Å; Q262-V265 PolarHBondContact O-N 3.42Å; I263-V265 PolarHBondContact O-N 2.81Å; V265-Q268 PolarHBondContact O-N 3.48Å; V265-N269 WeakPolarHBondContact O-CB 3.44Å; V265-N269 VanDerWaalsContact O-CG 3.28Å; V265-N269 PolarHBondContact O-N 3.11Å; V265-N269 PolarHBondContact O-ND2 2.99Å |
| 266 | W | 98.5 | Very high | 97.4 | Very high | 25 Ų | 25 | 78.3 Ų | 78.3 | 10% | 0.095 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 176.3 | -173.3 | 101.5 | 0 | 0 | 0 | 110.8 | Y226 L234 E235 F238 Q262 I263 Q268 N269 R270 | Y226-W266 AromaticContact CD2-CD1 3.98Å; Y226-W266 AromaticContact CE2-CD1 3.69Å; L234-W266 HydrophobicContact CB-CD2 3.9Å; L234-W266 HydrophobicContact CB-CE3 3.96Å; L234-W266 HydrophobicContact CB-CH2 3.72Å; L234-W266 HydrophobicContact CB-CZ2 3.63Å; L234-W266 HydrophobicContact CB-CZ3 3.87Å; L234-W266 HydrophobicContact CD1-CD2 3.96Å; L234-W266 HydrophobicContact CD1-CG 3.88Å; L234-W266 HydrophobicContact CD2-CD2 4.16Å; L234-W266 HydrophobicContact CD2-CE3 4.05Å; L234-W266 HydrophobicContact CD2-CG 4.45Å; L234-W266 HydrophobicContact CG-CD2 4.23Å; L234-W266 HydrophobicContact CG-CE3 4.43Å; L234-W266 WeakPolarHBondContact O-CH2 3.21Å; L234-W266 VanDerWaalsContact O-CZ3 3.25Å; L234-W266 WeakPolarHBondContact O-CZ3 3.45Å; E235-W266 HydrophobicContact CG-CH2 4.19Å; E235-W266 HydrophobicContact CG-CZ2 4.07Å; F238-W266 HydrophobicContact CB-CH2 4.06Å; F238-W266 HydrophobicContact CB-CZ3 3.95Å; F238-W266 HydrophobicContact CD2-CZ3 4.35Å; F238-W266 HydrophobicContact CG-CZ3 4.4Å; Q262-W266 WeakPolarHBondContact O-CB 3.32Å; Q262-W266 PolarHBondContact O-N 3.42Å; I263-W266 PolarHBondContact O-N 3.38Å; W266-Q268 VanDerWaalsContact C-N 3.32Å; W266-Q268 PolarHBondContact O-N 3.17Å; W266-N269 PolarHBondContact O-N 2.85Å; W266-N269 VanDerWaalsContact O-N 3.16Å; W266-R270 HydrophobicContact CD2-CB 4.41Å; W266-R270 HydrophobicContact CE3-CB 3.97Å; W266-R270 HydrophobicContact CH2-CB 3.85Å; W266-R270 HydrophobicContact CH2-CG 3.55Å; W266-R270 HydrophobicContact CZ2-CB 4.31Å; W266-R270 HydrophobicContact CZ2-CG 4.21Å; W266-R270 HydrophobicContact CZ3-CB 3.67Å; W266-R270 HydrophobicContact CZ3-CG 3.74Å; W266-R270 WeakPolarHBondContact O-CB 3.32Å; W266-R270 PolarHBondContact O-N 2.87Å |
| 267 | F | 98.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 82.4 Ų | 82.4 | 2% | 0.022 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 177.4 | -91.9 | -99.5 | 0 | 0 | 0 | 112.7 | L234 E237 F238 S241 L244 I263 R270 R271 | L234-F267 HydrophobicContact CD2-CE2 4Å; E237-F267 HydrophobicContact CB-CZ 3.89Å; F238-F267 HydrophobicContact CB-CE1 4.19Å; F238-F267 HydrophobicContact CB-CZ 4.39Å; F238-F267 AromaticContact CD2-CD1 3.92Å; F238-F267 HydrophobicContact CD2-CD1 3.92Å; F238-F267 AromaticContact CD2-CE1 3.92Å; F238-F267 HydrophobicContact CD2-CE1 3.92Å; S241-F267 WeakPolarHBondContact O-CE1 3.21Å; L244-F267 HydrophobicContact CD1-CD1 4.22Å; L244-F267 HydrophobicContact CD1-CD2 3.63Å; L244-F267 HydrophobicContact CD1-CE1 4.02Å; L244-F267 HydrophobicContact CD1-CE2 3.43Å; L244-F267 VanDerWaalsContact CD1-CE2 3.43Å; L244-F267 HydrophobicContact CD1-CG 4.05Å; L244-F267 HydrophobicContact CD1-CZ 3.64Å; L244-F267 HydrophobicContact CD2-CE1 3.92Å; L244-F267 HydrophobicContact CD2-CZ 3.87Å; L244-F267 HydrophobicContact CG-CD1 3.9Å; L244-F267 HydrophobicContact CG-CD2 4.23Å; L244-F267 HydrophobicContact CG-CE1 3.65Å; L244-F267 HydrophobicContact CG-CE2 4.04Å; L244-F267 HydrophobicContact CG-CG 4.2Å; L244-F267 HydrophobicContact CG-CZ 3.74Å; I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.11Å; I263-F267 WeakPolarHBondContact O-CD2 3.43Å; I263-F267 PolarHBondContact O-N 3.26Å; F267-R270 PolarHBondContact O-N 2.72Å; F267-R271 WeakPolarHBondContact O-CG 3.41Å; F267-R271 PolarHBondContact O-N 3.23Å |
| 268 | Q | 98.1 | Very high | 95.6 | Very high | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -49 | 173.6 | -176 | 175.2 | 5.7 | 0 | 0 | 111.6 | K264 V265 W266 R270 R271 M272 | K264-Q268 WeakPolarHBondContact O-CB 3.28Å; K264-Q268 PolarHBondContact O-N 3.15Å; K264-Q268 VanDerWaalsContact O-N 3.08Å; V265-Q268 PolarHBondContact O-N 3.48Å; W266-Q268 VanDerWaalsContact C-N 3.32Å; W266-Q268 PolarHBondContact O-N 3.17Å; Q268-R270 VanDerWaalsContact C-N 3.32Å; Q268-R270 PolarHBondContact O-N 3.25Å; Q268-R271 PolarHBondContact O-N 3.19Å; Q268-M272 WeakPolarHBondContact O-CG 3.34Å; Q268-M272 PolarHBondContact O-N 3.14Å; Q268-M272 VanDerWaalsContact O-N 3.09Å |
| 269 | N | 98.2 | Very high | 94 | Very high | 101 Ų | 101 | 85.4 Ų | 85.4 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.2 | -38.8 | 177.4 | -70.4 | -21.3 | 0 | 0 | 0 | 111.8 | V265 W266 M272 K273 | V265-N269 WeakPolarHBondContact O-CB 3.44Å; V265-N269 VanDerWaalsContact O-CG 3.28Å; V265-N269 PolarHBondContact O-N 3.11Å; V265-N269 PolarHBondContact O-ND2 2.99Å; W266-N269 PolarHBondContact O-N 2.85Å; W266-N269 VanDerWaalsContact O-N 3.16Å; N269-M272 PolarHBondContact O-N 3.49Å; N269-K273 PolarHBondContact O-N 3.02Å |
| 270 | R | 98.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 85.2 Ų | 85.2 | 6% | 0.057 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -66.9 | -41 | 179.2 | -175.3 | 59.1 | 176.3 | 82.7 | 5.5 | 112.4 | E235 F238 W266 F267 Q268 M272 K273 F274 | E235-R270 WeakPolarHBondContact OE1-CD 3.41Å; E235-R270 IonicContact OE1-CZ 3.16Å; E235-R270 IonicContact OE1-NE 2.77Å; E235-R270 PolarHBondContact OE1-NE 2.86Å; E235-R270 IonicContact OE1-NH2 2.71Å; E235-R270 IonicContact OE2-CZ 2.66Å; E235-R270 IonicContact OE2-NE 3.94Å; E235-R270 PolarHBondContact OE2-NE 3.01Å; E235-R270 IonicContact OE2-NH2 3.78Å; E235-R270 PolarHBondContact OE2-NH2 2.76Å; F238-R270 HydrophobicContact CB-CG 4.29Å; F238-R270 HydrophobicContact CD1-CG 3.7Å; F238-R270 HydrophobicContact CD2-CB 4.02Å; F238-R270 HydrophobicContact CD2-CG 3.46Å; F238-R270 VanDerWaalsContact CD2-CG 3.46Å; F238-R270 HydrophobicContact CE1-CG 3.86Å; F238-R270 HydrophobicContact CE2-CB 4.06Å; F238-R270 HydrophobicContact CE2-CG 3.62Å; F238-R270 HydrophobicContact CG-CG 3.5Å; F238-R270 HydrophobicContact CZ-CG 3.82Å; W266-R270 HydrophobicContact CD2-CB 4.41Å; W266-R270 HydrophobicContact CE3-CB 3.97Å; W266-R270 HydrophobicContact CH2-CB 3.85Å; W266-R270 HydrophobicContact CH2-CG 3.55Å; W266-R270 HydrophobicContact CZ2-CB 4.31Å; W266-R270 HydrophobicContact CZ2-CG 4.21Å; W266-R270 HydrophobicContact CZ3-CB 3.67Å; W266-R270 HydrophobicContact CZ3-CG 3.74Å; W266-R270 WeakPolarHBondContact O-CB 3.32Å; W266-R270 PolarHBondContact O-N 2.87Å; F267-R270 PolarHBondContact O-N 2.72Å; Q268-R270 VanDerWaalsContact C-N 3.32Å; Q268-R270 PolarHBondContact O-N 3.25Å; R270-M272 VanDerWaalsContact C-N 3.35Å; R270-K273 PolarHBondContact O-N 3.05Å; R270-F274 WeakPolarHBondContact O-CB 3.42Å; R270-F274 PolarHBondContact O-N 3.46Å |
| 271 | R | 98 | Very high | 90.3 | Very high | 66 Ų | 66 | 91 Ų | 91 | 25% | 0.249 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 169.7 | -75.1 | -165.3 | -63.9 | -80.9 | -1.2 | 112.2 | F238 Q242 F267 Q268 F274 K275 | F238-R271 HydrophobicContact CE2-CG 3.67Å; F238-R271 HydrophobicContact CZ-CG 4.1Å; Q242-R271 WeakPolarHBondContact O-CD 3.48Å; Q242-R271 PolarHBondContact O-NH1 3.49Å; F267-R271 WeakPolarHBondContact O-CG 3.41Å; F267-R271 PolarHBondContact O-N 3.23Å; Q268-R271 PolarHBondContact O-N 3.19Å; R271-F274 PolarHBondContact O-N 3.23Å; R271-K275 WeakPolarHBondContact O-CB 3.14Å; R271-K275 PolarHBondContact O-N 3.32Å |
| 272 | M | 97.1 | Very high | 88.1 | Confident | 84 Ų | 84 | 89.5 Ų | 89.5 | 41% | 0.414 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.3 | -67.7 | -59.3 | -69.2 | 0 | 0 | 112.4 | Q268 N269 R270 R276 | Q268-M272 WeakPolarHBondContact O-CG 3.34Å; Q268-M272 PolarHBondContact O-N 3.14Å; Q268-M272 VanDerWaalsContact O-N 3.09Å; N269-M272 PolarHBondContact O-N 3.49Å; R270-M272 VanDerWaalsContact C-N 3.35Å; M272-R276 WeakPolarHBondContact O-CG 3.2Å; M272-R276 PolarHBondContact O-N 2.76Å |
| 273 | K | 96.5 | Very high | 85.8 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 171.3 | -171.7 | -175.5 | 177.7 | -170.6 | 0 | 111.2 | N269 R270 K275 R276 Q277 | N269-K273 PolarHBondContact O-N 3.02Å; R270-K273 PolarHBondContact O-N 3.05Å; K273-K275 PolarHBondContact O-N 3.06Å; K273-R276 PolarHBondContact O-N 2.94Å; K273-R276 VanDerWaalsContact O-N 3.11Å; K273-Q277 HydrophobicContact CG-CG 4.45Å; K273-Q277 WeakPolarHBondContact O-CG 3.41Å; K273-Q277 PolarHBondContact O-N 2.94Å |
| 274 | F | 95.5 | Very high | 83.5 | Confident | 43 Ų | 43 | 105 Ų | 105 | 19% | 0.189 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -58.3 | -45.5 | 178.5 | -173.3 | -115 | 0 | 0 | 0 | 112.2 | F238 W239 Q242 R270 R271 R276 Q277 K278 | F238-F274 HydrophobicContact CE1-CB 4.19Å; F238-F274 HydrophobicContact CE1-CD2 4.28Å; F238-F274 HydrophobicContact CE1-CG 4.15Å; F238-F274 HydrophobicContact CZ-CB 4.01Å; F238-F274 HydrophobicContact CZ-CD1 4.49Å; F238-F274 HydrophobicContact CZ-CG 4.21Å; W239-F274 HydrophobicContact CH2-CE2 4.25Å; W239-F274 HydrophobicContact CZ3-CE2 4.26Å; Q242-F274 VanDerWaalsContact NE2-CE1 3.29Å; R270-F274 WeakPolarHBondContact O-CB 3.42Å; R270-F274 PolarHBondContact O-N 3.46Å; R271-F274 PolarHBondContact O-N 3.23Å; F274-R276 VanDerWaalsContact C-N 3.28Å; F274-R276 PolarHBondContact O-N 3.16Å; F274-Q277 PolarHBondContact O-N 3.32Å; F274-Q277 VanDerWaalsContact O-N 3.09Å; F274-K278 PolarHBondContact O-N 2.76Å |
| 275 | K | 94.2 | Very high | 81.4 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 176.1 | -171 | 172.5 | 70.8 | 167.5 | 0 | 112.8 | R271 K273 | R271-K275 WeakPolarHBondContact O-CB 3.14Å; R271-K275 PolarHBondContact O-N 3.32Å; K273-K275 PolarHBondContact O-N 3.06Å |
| 276 | R | 91.4 | Very high | 78.9 | Confident | 201 Ų | 201 | 106.9 Ų | 106.9 | 76% | 0.758 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -77.3 | -24.1 | 175.3 | -71.1 | 173.5 | 176.9 | -179.5 | -1.2 | 113.5 | M272 K273 F274 | M272-R276 WeakPolarHBondContact O-CG 3.2Å; M272-R276 PolarHBondContact O-N 2.76Å; K273-R276 PolarHBondContact O-N 2.94Å; K273-R276 VanDerWaalsContact O-N 3.11Å; F274-R276 VanDerWaalsContact C-N 3.28Å; F274-R276 PolarHBondContact O-N 3.16Å |
| 277 | Q | 85.9 | Confident | 76.4 | Confident | 104 Ų | 104 | 111.3 Ų | 111.3 | 49% | 0.486 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -80.6 | -18.2 | 179 | -77.9 | 176.6 | -45.4 | 0 | 0 | 113.3 | K273 F274 P279 | K273-Q277 HydrophobicContact CG-CG 4.45Å; K273-Q277 WeakPolarHBondContact O-CG 3.41Å; K273-Q277 PolarHBondContact O-N 2.94Å; F274-Q277 PolarHBondContact O-N 3.32Å; F274-Q277 VanDerWaalsContact O-N 3.09Å; Q277-P279 WeakPolarHBondContact O-CD 3.45Å |
| 278 | K | 72.3 | Confident | 73.7 | Confident | 133 Ų | 133 | 116.7 Ų | 116.7 | 58% | 0.578 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -64 | 109.5 | 171.1 | -71.6 | -168.2 | 173.7 | -167.7 | 0 | 109.5 | F274 G280 | F274-K278 PolarHBondContact O-N 2.76Å; K278-G280 PolarHBondContact O-N 2.87Å |
| 279 | P | 64.2 | Low | 71.1 | Confident | 136 Ų | 136 | 122.8 Ų | 122.8 | 88% | 0.883 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 114.3 | 176.7 | -3.4 | 22.8 | 0 | 0 | 0 | 107.4 | Q277 | Q277-P279 WeakPolarHBondContact O-CD 3.45Š|
| 280 | G | 61.4 | Low | 68.4 | Low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.5 | -40 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | K278 | K278-G280 PolarHBondContact O-N 2.87Š|
| 281 | E | 57.8 | Low | 65.8 | Low | 175 Ų | 175 | 126.4 Ų | 126.4 | 82% | 0.818 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -128.8 | 2 | -160.8 | -67.4 | -174.4 | 142.7 | 0 | 0 | 117.1 | | |
| 282 | N | 51.2 | Low | 63.5 | Low | 128 Ų | 128 | 132.3 Ų | 132.3 | 68% | 0.684 | 69% | 0.694 | S | S | * | * | | | trans | -121.2 | 54 | -177.9 | -70.9 | -88.7 | 0 | 0 | 0 | 113 | Y284 | N282-Y284 VanDerWaalsContact C-N 3.28Å; N282-Y284 PolarHBondContact O-N 2.96Å |
| 283 | L | 50.2 | Low | 60.8 | Low | 158 Ų | 158 | 135.3 Ų | 135.3 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | | | trans | -89 | 52.8 | 175.4 | -153.2 | 83.5 | 0 | 0 | 0 | 112.7 | | |
| 284 | Y | 50.1 | Low | 58.3 | Low | 217 Ų | 217 | 135.8 Ų | 135.8 | 85% | 0.851 | 72% | 0.724 | S | S | * | * | | | trans | -135.6 | 83.7 | 168.6 | -66.7 | -70.9 | 0 | 0 | 0 | 110.3 | N282 S286 | N282-Y284 VanDerWaalsContact C-N 3.28Å; N282-Y284 PolarHBondContact O-N 2.96Å; Y284-S286 PolarHBondContact O-N 2.94Å |
| 285 | P | 53.5 | Low | 55.7 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -66.9 | 115.7 | 164.8 | 28.9 | -31.1 | 0 | 0 | 0 | 108.2 | T287 | P285-T287 VanDerWaalsContact C-N 3.25Å; P285-T287 PolarHBondContact O-N 2.75Å |
| 286 | S | 46.2 | Very low | 53.2 | Low | 129 Ų | 129 | 140.2 Ų | 140.2 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | trans | -67.1 | 89.9 | 165.7 | -62.8 | 0 | 0 | 0 | 0 | 108.8 | Y284 S288 | Y284-S286 PolarHBondContact O-N 2.94Å; S286-S288 PolarHBondContact O-N 2.94Å |
| 287 | T | 46.2 | Very low | 50.6 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 73% | 0.73 | 76% | 0.76 | S | S | * | * | | | trans | -65.4 | 119 | 174.1 | 38.5 | 0 | 0 | 0 | 0 | 109.5 | P285 Y289 | P285-T287 VanDerWaalsContact C-N 3.25Å; P285-T287 PolarHBondContact O-N 2.75Å; T287-Y289 PolarHBondContact O-N 3.01Å; T287-Y289 VanDerWaalsContact O-N 3.16Å |
| 288 | S | 42.4 | Very low | 48.5 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -54.8 | 114.9 | 167.1 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | S286 G290 | S286-S288 PolarHBondContact O-N 2.94Å; S288-G290 PolarHBondContact O-N 2.89Å |
| 289 | Y | 42.5 | Very low | 47 | Very low | 233 Ų | 233 | 138.6 Ų | 138.6 | 91% | 0.914 | 79% | 0.785 | S | S | * | * | | | trans | -89.8 | 96.5 | 170.3 | -150.8 | -85.8 | 0 | 0 | 0 | 108.1 | T287 | T287-Y289 PolarHBondContact O-N 3.01Å; T287-Y289 VanDerWaalsContact O-N 3.16Å |
| 290 | G | 42 | Very low | 45.6 | Very low | 53 Ų | 53 | 143.6 Ų | 143.6 | 55% | 0.546 | 79% | 0.786 | S | S | . | * | | | trans | -118 | 121.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | S288 | S288-G290 PolarHBondContact O-N 2.89Š|
| 291 | D | 43.7 | Very low | 44.4 | Very low | 140 Ų | 140 | 146 Ų | 146 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | 37.3 | 105.7 | 151.1 | -46.7 | -32.1 | 0 | 0 | 0 | 118.4 | | |
| 292 | M | 48.2 | Very low | 43.2 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 93% | 0.931 | 79% | 0.792 | S | S | * | * | | | | -141.8 | 128.5 | 127.7 | -84.8 | -54.6 | 147 | 0 | 0 | 109.9 | | |
| 293 | D | 40.4 | Very low | 41.9 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -76.6 | 166.6 | -175.7 | -75.5 | -67.4 | 0 | 0 | 0 | 114.4 | | |
| 294 | T | 45.1 | Very low | 41 | Very low | 123 Ų | 123 | 149 Ų | 149 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 122.7 | 116.5 | 131.2 | -37.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 295 | S | 40.7 | Very low | 40 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | | | trans | 44.8 | 101.9 | 156.5 | 66.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 296 | N | 41.8 | Very low | 38.7 | Very low | 169 Ų | 169 | 151 Ų | 151 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | | | | -161.9 | 148.8 | 90.2 | -97.4 | -35.4 | 0 | 0 | 0 | 111.5 | | |
| 297 | G | 37.7 | Very low | 37.8 | Very low | 67 Ų | 67 | 148.6 Ų | 148.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | -93.1 | -172.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 298 | F | 40.2 | Very low | 37.1 | Very low | 196 Ų | 196 | 150.3 Ų | 150.3 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | 89.3 | 92.4 | 166.7 | -75.4 | -98.8 | 0 | 0 | 0 | 119.7 | | |
| 299 | I | 41.6 | Very low | 36.3 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 72% | 0.718 | 78% | 0.778 | S | S | * | * | | | trans | 78.7 | 89.6 | 136.6 | -52.1 | -177.1 | 0 | 0 | 0 | 118.7 | | |
| 300 | R | 35.7 | Very low | 35.7 | Very low | 242 Ų | 242 | 145.1 Ų | 145.1 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | | | | 17.1 | 110.6 | 127 | -64.2 | -179.1 | 173 | -155.5 | -0.8 | 118.1 | | |
| 301 | S | 35.2 | Very low | 35 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | | | | -158.3 | 166.9 | 103.3 | 69.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 302 | R | 33 | Very low | 34.4 | Very low | 222 Ų | 222 | 150.5 Ų | 150.5 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | | | trans | -93.4 | 131.6 | -157.1 | -94.7 | 177.2 | 172.1 | 172.8 | -3.9 | 114.7 | | |
| 303 | F | 24.4 | Very low | 33.3 | Very low | 189 Ų | 189 | 144.3 Ų | 144.3 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 58.7 | 101.1 | 156.4 | -60 | -67.9 | 0 | 0 | 0 | 119.9 | | |
| 304 | P | 29.8 | Very low | 32.6 | Very low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -123.7 | 128.7 | 130.9 | 9.9 | 11.4 | 0 | 0 | 0 | 110 | | |
| 305 | T | 29.2 | Very low | 31.6 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | | | | 56.8 | 128.9 | 84.7 | 59.2 | 0 | 0 | 0 | 0 | 117.4 | | |
| 306 | R | 27.1 | Very low | 31 | Very low | 230 Ų | 230 | 151.3 Ų | 151.3 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | 90.7 | 113.7 | 144.3 | -111.7 | -167.9 | 170.1 | -168.9 | -3.7 | 121.8 | | |
| 307 | C | 26.1 | Very low | 30.3 | Very low | 77 Ų | 77 | 148.3 Ų | 148.3 | 52% | 0.52 | 78% | 0.776 | S | S | . | * | | | trans | 48.6 | 131.1 | 131.5 | 66.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 308 | H | 31.5 | Very low | 29.8 | Very low | 155 Ų | 155 | 154.2 Ų | 154.2 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | | 175.8 | 119.6 | 103.9 | -94 | -73.5 | 0 | 0 | 0 | 108.8 | | |
| 309 | N | 27 | Very low | 29.3 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | | 67.6 | 123.7 | 88.7 | -70.7 | 15.6 | 0 | 0 | 0 | 115.9 | | |
| 310 | S | 29.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 177.4 | 134.2 | 122.7 | -78.5 | 0 | 0 | 0 | 0 | 114 | | |
| 311 | I | 28.6 | Very low | 28.1 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | | | trans | 60 | 131.4 | 136.6 | -62.2 | 168 | 0 | 0 | 0 | 117.7 | | |
| 312 | D | 29.5 | Very low | 27.5 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | cis | -165.9 | -179.2 | -9.4 | -108.4 | 8.3 | 0 | 0 | 0 | 107.4 | | |
| 313 | G | 24.9 | Very low | 27.1 | Very low | 60 Ų | 60 | 140.1 Ų | 140.1 | 62% | 0.619 | 77% | 0.77 | S | S | * | * | | | cis | 167.1 | -172.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 314 | I | 26.9 | Very low | 27.2 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 91% | 0.908 | 77% | 0.773 | S | S | * | * | | | trans | 78 | 131.8 | 170.5 | -51.9 | 177.9 | 0 | 0 | 0 | 118.7 | | |
| 315 | H | 24.3 | Very low | 26.8 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -91 | 169.6 | -176.9 | -91.4 | -111.8 | 0 | 0 | 0 | 114.7 | | |
| 316 | L | 28.1 | Very low | 26.7 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | | -179.6 | 164.9 | 116.4 | -92.3 | 163.5 | 0 | 0 | 0 | 113.4 | | |
| 317 | T | 27.1 | Very low | 26.7 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | | | trans | -122.4 | 156 | -157.4 | 47.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 318 | E | 27.3 | Very low | 26.7 | Very low | 190 Ų | 190 | 148.2 Ų | 148.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | 22.7 | 123.8 | 152 | -61.9 | -179.1 | 159.7 | 0 | 0 | 121.8 | | |
| 319 | A | 29.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -167.7 | 148.8 | 136.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 320 | N | 24.4 | Very low | 26.7 | Very low | 164 Ų | 164 | 150 Ų | 150 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -57.6 | 138.1 | -177.7 | -52.3 | -48.2 | 0 | 0 | 0 | 116.8 | | |
| 321 | S | 26.7 | Very low | 26.6 | Very low | 101 Ų | 101 | 151.8 Ų | 151.8 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | | | trans | -178.8 | 122.8 | 135.1 | 44.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 322 | T | 23.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 150.7 Ų | 150.7 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | | 70.6 | 149.2 | 92.1 | -32.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 323 | I | 24.9 | Very low | 26.5 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 73% | 0.728 | 81% | 0.814 | S | S | * | * | | | trans | 96.8 | 134.8 | 163.7 | -54.8 | 156.3 | 0 | 0 | 0 | 116.1 | | |
| 324 | W | 25.5 | Very low | 26.5 | Very low | 232 Ų | 232 | 158.5 Ų | 158.5 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | cis | -157.4 | 174.1 | -20.5 | -99.3 | 6.2 | 0 | 0 | 0 | 109 | | |
| 325 | F | 22.1 | Very low | 26.5 | Very low | 197 Ų | 197 | 156 Ų | 156 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | -76.2 | 158.3 | 179.9 | -62.1 | -95.8 | 0 | 0 | 0 | 114.9 | | |
| 326 | N | 27.4 | Very low | 26.6 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -150 | 141.4 | 139.1 | -152.2 | -14.2 | 0 | 0 | 0 | 112.3 | | |
| 327 | H | 26 | Very low | 26.4 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -119.4 | 115.4 | -174.7 | -123.3 | -89.4 | 0 | 0 | 0 | 108.9 | | |
| 328 | N | 27 | Very low | 26.5 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | trans | 169.9 | 118.1 | 147.8 | -97.9 | -36.8 | 0 | 0 | 0 | 112.3 | | |
| 329 | S | 30.3 | Very low | 26.4 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | | 175.9 | 152.1 | 115.2 | 40.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 330 | K | 26.9 | Very low | 26.4 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -97.4 | 129.3 | -170.5 | -57.8 | 165 | 178.9 | 173.4 | 0 | 110.8 | | |
| 331 | T | 28.8 | Very low | 26.8 | Very low | 146 Ų | 146 | 149.8 Ų | 149.8 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | | | trans | -157.4 | 121.2 | 143.6 | 42.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 332 | V | 25 | Very low | 26.8 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -106.2 | 126.9 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 333 | E | 29.3 | Very low | 27.3 | Very low | 187 Ų | 187 | 154.4 Ų | 154.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -151.7 | 143.5 | 154.6 | -122.2 | 171.9 | -148.9 | 0 | 0 | 110.8 | | |
| 334 | Y | 26.3 | Very low | 27.3 | Very low | 195 Ų | 195 | 156.3 Ų | 156.3 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -81.2 | 143.9 | -159 | -62.6 | -100.6 | 0 | 0 | 0 | 113.7 | | |
| 335 | N | 26.1 | Very low | 27.5 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 66% | 0.658 | 80% | 0.795 | S | S | * | * | | | trans | -144.9 | 112.7 | 148.5 | -71.8 | -68.9 | 0 | 0 | 0 | 109.9 | K236 | K236-N335 WeakPolarHBondContact CE-OD1 3.44Å; K236-N335 PolarHBondContact NZ-OD1 3.08Å |
| 336 | T | 27.3 | Very low | 27.6 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -85.1 | 119.8 | 172.1 | 48.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 337 | C | 24 | Very low | 27.7 | Very low | 91 Ų | 91 | 148.4 Ų | 148.4 | 62% | 0.615 | 79% | 0.785 | S | S | * | * | | | trans | -87.9 | 129.2 | 162.5 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 338 | K | 27.9 | Very low | 28 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 72% | 0.717 | 79% | 0.787 | S | S | * | * | | | trans | -119.8 | 95.5 | 179.9 | -157.9 | 179.4 | -170.5 | -178.5 | 0 | 108.6 | I340 | K338-I340 HydrophobicContact CD-CD1 4.31Å; K338-I340 HydrophobicContact CG-CD1 4.48Å; K338-I340 HydrophobicContact CG-CG1 4.48Å; K338-I340 PolarHBondContact O-N 3.38Å |
| 339 | C | 26 | Very low | 28.2 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | | | trans | -70.2 | 109.3 | 175 | -59.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 340 | I | 30.3 | Very low | 28.2 | Very low | 123 Ų | 123 | 153.1 Ų | 153.1 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | | | trans | -114.7 | 116.8 | 170 | -73.6 | 176.9 | 0 | 0 | 0 | 108.4 | K338 | K338-I340 HydrophobicContact CD-CD1 4.31Å; K338-I340 HydrophobicContact CG-CD1 4.48Å; K338-I340 HydrophobicContact CG-CG1 4.48Å; K338-I340 PolarHBondContact O-N 3.38Å |
| 341 | N | 32.1 | Very low | 28.4 | Very low | 134 Ų | 134 | 150.3 Ų | 150.3 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | 45.9 | 108.9 | 155.5 | -57.1 | -3.5 | 0 | 0 | 0 | 118.1 | L343 | N341-L343 PolarHBondContact O-N 2.93Š|
| 342 | N | 27.3 | Very low | 28.5 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | | | trans | -57.2 | 106.4 | 153.5 | -64.6 | -26.8 | 0 | 0 | 0 | 109.3 | | |
| 343 | L | 32.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -115.5 | 122.9 | 154.6 | -108.1 | 82.6 | 0 | 0 | 0 | 108.2 | N341 I345 | N341-L343 PolarHBondContact O-N 2.93Å; L343-I345 PolarHBondContact O-N 2.85Å |
| 344 | E | 24.7 | Very low | 28.7 | Very low | 182 Ų | 182 | 147 Ų | 147 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | | | trans | -68.9 | 117.7 | 171.4 | -63.9 | -179.8 | 133.7 | 0 | 0 | 109.2 | | |
| 345 | I | 29.3 | Very low | 28.8 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | | | trans | -107.5 | 95.8 | 155.9 | -59.9 | -179.3 | 0 | 0 | 0 | 105.9 | L343 D347 | L343-I345 PolarHBondContact O-N 2.85Å; I345-D347 PolarHBondContact O-N 3.01Å; I345-D347 VanDerWaalsContact O-N 3.08Å |
| 346 | T | 25.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 144.2 Ų | 144.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | -66.7 | 103.3 | 170.8 | 53.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 347 | D | 29.8 | Very low | 29.3 | Very low | 144 Ų | 144 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | trans | -107.7 | 144 | 158.7 | -142.4 | -16.4 | 0 | 0 | 0 | 109.6 | I345 | I345-D347 PolarHBondContact O-N 3.01Å; I345-D347 VanDerWaalsContact O-N 3.08Å |
| 348 | K | 30.8 | Very low | 29.5 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -70.8 | 152 | -164.9 | -69.5 | 167.6 | -179 | 168.9 | 0 | 110.7 | | |
| 349 | Y | 32.2 | Very low | 29.7 | Very low | 202 Ų | 202 | 149.6 Ų | 149.6 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 87.6 | 121.1 | -179.2 | -49.4 | -70.8 | 0 | 0 | 0 | 115.8 | | |
| 350 | D | 29.4 | Very low | 29.7 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | | | trans | 68.8 | 77 | 170.9 | -59.7 | -15.6 | 0 | 0 | 0 | 118.9 | | |
| 351 | T | 32.1 | Very low | 29.6 | Very low | 145 Ų | 145 | 151.4 Ų | 151.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -116.9 | 97.9 | 154.5 | 45.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 352 | Q | 30.5 | Very low | 29.3 | Very low | 146 Ų | 146 | 149.5 Ų | 149.5 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | | | trans | -88.2 | 138.2 | 152.1 | -97.9 | -157.8 | -28 | 0 | 0 | 108.8 | Y140 C354 | Y140-Q352 PolarHBondContact OH-NE2 2.87Å; Y140-Q352 VanDerWaalsContact OH-NE2 3.15Å; Q352-C354 PolarHBondContact O-N 2.88Å |
| 353 | P | 31 | Very low | 29.3 | Very low | 108 Ų | 108 | 148 Ų | 148 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | trans | -74.5 | 127.3 | 176.4 | 30 | -32.8 | 0 | 0 | 0 | 110.5 | S355 | P353-S355 PolarHBondContact O-N 3.4Š|
| 354 | C | 28.1 | Very low | 29 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 91% | 0.912 | 79% | 0.793 | S | S | * | * | | | trans | -73.5 | 69.1 | 171 | -67.7 | 0 | 0 | 0 | 0 | 111.2 | Q352 N356 | Q352-C354 PolarHBondContact O-N 2.88Å; C354-N356 PolarHBondContact O-N 3.45Å |
| 355 | S | 28.3 | Very low | 29.2 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -83.4 | 83.9 | 168.1 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | P353 | P353-S355 PolarHBondContact O-N 3.4Š|
| 356 | N | 31.6 | Very low | 29.2 | Very low | 154 Ų | 154 | 146.5 Ų | 146.5 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | trans | -128 | 127.9 | 162.5 | -88.8 | -25.6 | 0 | 0 | 0 | 109.4 | C354 | C354-N356 PolarHBondContact O-N 3.45Š|
| 357 | K | 31.8 | Very low | 29.4 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | | | trans | -56.2 | 136.6 | 172.4 | -67.8 | 170.8 | 173.6 | 177.9 | 0 | 109.1 | D359 | K357-D359 PolarHBondContact O-N 3.24Š|
| 358 | L | 28.8 | Very low | 29.6 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 76% | 0.761 | S | S | * | * | | | trans | -72.7 | 111.7 | 153.7 | -82.6 | 87.3 | 0 | 0 | 0 | 106.8 | | |
| 359 | D | 31.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 140 Ų | 140 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | trans | -70.3 | 150.6 | 160.3 | -73.7 | -40.8 | 0 | 0 | 0 | 109.5 | K357 | K357-D359 PolarHBondContact O-N 3.24Š|
| 360 | N | 26.9 | Very low | 30 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -63.3 | 167 | -171.6 | -61.8 | -46.1 | 0 | 0 | 0 | 113 | | |
| 361 | T | 26.9 | Very low | 30.3 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 84% | 0.84 | 71% | 0.706 | S | S | * | * | | | trans | 86.4 | 70.4 | 169.6 | 73.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 362 | S | 27 | Very low | 30.3 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 66% | 0.657 | 69% | 0.687 | S | S | * | * | | | trans | -177.7 | 96.3 | 130.2 | 37.9 | 0 | 0 | 0 | 0 | 112.1 | F364 | S362-F364 PolarHBondContact O-N 3.36Š|
| 363 | I | 26.6 | Very low | 30.7 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 72% | 0.723 | 69% | 0.687 | S | S | * | * | | | trans | -88.5 | 103.2 | 164.2 | -61.5 | 176.2 | 0 | 0 | 0 | 106.9 | I365 | I363-I365 HydrophobicContact CG2-CG1 4.37Å; I363-I365 PolarHBondContact O-N 3.2Å |
| 364 | F | 25.9 | Very low | 30.9 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 83% | 0.825 | 69% | 0.688 | S | S | * | * | | | trans | -78.1 | 107.6 | 170.7 | -75.8 | -83.1 | 0 | 0 | 0 | 109.1 | S362 | S362-F364 PolarHBondContact O-N 3.36Š|
| 365 | I | 28.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | | | trans | -73 | 125.5 | -178.9 | -67.7 | 176.7 | 0 | 0 | 0 | 109.5 | I363 H367 L369 I372 | I363-I365 HydrophobicContact CG2-CG1 4.37Å; I363-I365 PolarHBondContact O-N 3.2Å; I365-H367 PolarHBondContact O-N 3.31Å; I365-L369 HydrophobicContact CD1-CD1 4.34Å; I365-L369 HydrophobicContact CG2-CD1 3.5Å; I365-L369 HydrophobicContact CG2-CG 3.92Å; I365-I372 HydrophobicContact CD1-CD1 4.19Å |
| 366 | H | 30.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 78% | 0.782 | 67% | 0.673 | S | S | * | * | | | trans | -61.9 | 131.5 | 169.4 | -120.3 | -103.2 | 0 | 0 | 0 | 109.8 | D368 | H366-D368 VanDerWaalsContact C-N 3.34Å; H366-D368 PolarHBondContact O-N 3.39Å |
| 367 | H | 29.3 | Very low | 32.2 | Very low | 186 Ų | 186 | 128.7 Ų | 128.7 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -69.1 | 84.5 | 179.8 | -77.2 | -76.5 | 0 | 0 | 0 | 112.2 | I365 | I365-H367 PolarHBondContact O-N 3.31Š|
| 368 | D | 33.3 | Very low | 32.6 | Very low | 70 Ų | 70 | 127.5 Ų | 127.5 | 37% | 0.374 | 67% | 0.666 | S | S | . | * | | | trans | -148 | 9 | 164.3 | -92.7 | -32.6 | 0 | 0 | 0 | 112.9 | H366 L385 K386 | H366-D368 VanDerWaalsContact C-N 3.34Å; H366-D368 PolarHBondContact O-N 3.39Å; D368-L385 HydrophobicContact CB-CD2 3.88Å; D368-L385 HydrophobicContact CB-CG 4.22Å; D368-L385 WeakPolarHBondContact O-CA 3.39Å; D368-K386 PolarHBondContact O-N 3.1Å |
| 369 | L | 31.8 | Very low | 33.1 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 29% | 0.293 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.1 | 118.7 | -177.7 | -62.2 | -170 | 0 | 0 | 0 | 112.7 | I365 I372 C383 | I365-L369 HydrophobicContact CD1-CD1 4.34Å; I365-L369 HydrophobicContact CG2-CD1 3.5Å; I365-L369 HydrophobicContact CG2-CG 3.92Å; L369-I372 HydrophobicContact CD1-CD1 4.25Å; L369-I372 HydrophobicContact CD1-CG1 4.13Å; L369-C383 HydrophobicContact CD2-CB 3.61Å |
| 370 | E | 40.5 | Very low | 33.1 | Very low | 101 Ų | 101 | 126.1 Ų | 126.1 | 47% | 0.472 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.8 | -17.8 | -179.3 | -167.5 | 165.9 | -140.3 | 0 | 0 | 113.8 | K384 K386 | E370-K384 PolarHBondContact N-O 2.98Å; E370-K384 VanDerWaalsContact N-O 3.11Å; E370-K386 WeakPolarHBondContact OE1-CD 3.29Å; E370-K386 WeakPolarHBondContact OE1-CE 3.21Å; E370-K386 IonicContact OE1-NZ 2.71Å; E370-K386 PolarHBondContact OE1-NZ 3.31Å |
| 371 | T | 35.1 | Very low | 33.4 | Very low | 84 Ų | 84 | 122.2 Ų | 122.2 | 52% | 0.515 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -162.8 | 138.2 | 171.7 | -14.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 372 | I | 32.8 | Very low | 33.8 | Very low | 94 Ų | 94 | 120 Ų | 120 | 48% | 0.482 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 115.6 | 165.6 | -59.6 | 175.3 | 0 | 0 | 0 | 107 | I365 L369 T374 | I365-I372 HydrophobicContact CD1-CD1 4.19Å; L369-I372 HydrophobicContact CD1-CD1 4.25Å; L369-I372 HydrophobicContact CD1-CG1 4.13Å; I372-T374 HydrophobicContact CG2-CG2 4.19Å |
| 373 | K | 38.5 | Very low | 33.9 | Very low | 157 Ų | 157 | 116.4 Ų | 116.4 | 68% | 0.683 | 59% | 0.589 | S | S | * | * | | | trans | -101.2 | 107.2 | 166.3 | -77.5 | -174.7 | 178.6 | 177.2 | 0 | 109 | N375 | K373-N375 PolarHBondContact O-N 3.06Š|
| 374 | T | 34.4 | Very low | 34.3 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.724 | 58% | 0.575 | S | S | * | * | | | trans | -78.8 | 116.4 | 168.8 | 51 | 0 | 0 | 0 | 0 | 109.5 | I372 | I372-T374 HydrophobicContact CG2-CG2 4.19Š|
| 375 | N | 34.2 | Very low | 34.7 | Very low | 99 Ų | 99 | 109.2 Ų | 109.2 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | | | trans | -74.7 | 141.6 | 156.2 | -179.6 | -1.6 | 0 | 0 | 0 | 108.1 | K373 N377 | K373-N375 PolarHBondContact O-N 3.06Å; N375-N377 PolarHBondContact O-N 2.84Å |
| 376 | N | 43.3 | Very low | 35.1 | Very low | 150 Ų | 150 | 111 Ų | 111 | 80% | 0.802 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 11 | -177.1 | -65.8 | -16.5 | 0 | 0 | 0 | 115.3 | | |
| 377 | N | 39 | Very low | 35.4 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 62% | 0.615 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | 26.1 | -170.6 | -70.4 | 0.3 | 0 | 0 | 0 | 113.3 | N375 Q379 | N375-N377 PolarHBondContact O-N 2.84Å; N377-Q379 WeakPolarHBondContact O-CB 3.47Å; N377-Q379 WeakPolarHBondContact O-CG 3.48Å; N377-Q379 PolarHBondContact O-N 2.77Å |
| 378 | D | 39.3 | Very low | 35.9 | Very low | 164 Ų | 164 | 108.2 Ų | 108.2 | 88% | 0.877 | 55% | 0.553 | S | S | * | * | S | Bend | trans | 54.5 | 9.7 | 168 | -64.1 | -30.3 | 0 | 0 | 0 | 118.8 | | |
| 379 | Q | 39.4 | Very low | 35.9 | Very low | 171 Ų | 171 | 110.5 Ų | 110.5 | 80% | 0.799 | 58% | 0.575 | S | S | * | * | | | trans | -128.1 | 5 | -164.4 | -75.8 | -166.6 | -10.9 | 0 | 0 | 118.2 | N377 | N377-Q379 WeakPolarHBondContact O-CB 3.47Å; N377-Q379 WeakPolarHBondContact O-CG 3.48Å; N377-Q379 PolarHBondContact O-N 2.77Å |
| 380 | L | 31.2 | Very low | 36 | Very low | 109 Ų | 109 | 113.3 Ų | 113.3 | 57% | 0.571 | 59% | 0.59 | S | S | * | * | | | trans | -147.5 | 128.1 | 168.2 | -98.6 | 117.9 | 0 | 0 | 0 | 111.9 | | |
| 381 | V | 33.2 | Very low | 35.6 | Very low | 66 Ų | 66 | 113.9 Ų | 113.9 | 40% | 0.4 | 61% | 0.605 | S | S | . | * | | | trans | -117.4 | 107.4 | 168.1 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | L396 | V381-L396 HydrophobicContact CB-CD1 4.35Š|
| 382 | E | 35.6 | Very low | 35.3 | Very low | 90 Ų | 90 | 117.7 Ų | 117.7 | 42% | 0.421 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 122.3 | 167.3 | -171.3 | -171.3 | 164.3 | 0 | 0 | 108.3 | | |
| 383 | C | 29.7 | Very low | 35.3 | Very low | 19 Ų | 19 | 117.6 Ų | 117.6 | 13% | 0.128 | 61% | 0.611 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.8 | 109.5 | -177.9 | -74.7 | 0 | 0 | 0 | 0 | 110.1 | L369 | L369-C383 HydrophobicContact CD2-CB 3.61Å |
| 384 | K | 35.3 | Very low | 35.3 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 113 | 167.1 | -73.6 | -171.5 | 175 | -174.6 | 0 | 110.2 | E370 | E370-K384 PolarHBondContact N-O 2.98Å; E370-K384 VanDerWaalsContact N-O 3.11Å |
| 385 | L | 34.3 | Very low | 35.1 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 43% | 0.429 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 132.7 | 166.6 | -87.4 | 107.7 | 0 | 0 | 0 | 110.2 | D368 Q387 | D368-L385 HydrophobicContact CB-CD2 3.88Å; D368-L385 HydrophobicContact CB-CG 4.22Å; D368-L385 WeakPolarHBondContact O-CA 3.39Å; L385-Q387 PolarHBondContact O-N 3.32Å |
| 386 | K | 35.7 | Very low | 35 | Very low | 137 Ų | 137 | 115.9 Ų | 115.9 | 60% | 0.596 | 59% | 0.588 | S | S | * | * | | | trans | -99.7 | 75.9 | 176.8 | -163.3 | 177 | -164.7 | 160.2 | 0 | 111.4 | D368 E370 | D368-K386 PolarHBondContact O-N 3.1Å; E370-K386 WeakPolarHBondContact OE1-CD 3.29Å; E370-K386 WeakPolarHBondContact OE1-CE 3.21Å; E370-K386 IonicContact OE1-NZ 2.71Å; E370-K386 PolarHBondContact OE1-NZ 3.31Å |
| 387 | Q | 38.1 | Very low | 34.6 | Very low | 140 Ų | 140 | 112.9 Ų | 112.9 | 65% | 0.654 | 58% | 0.575 | S | S | * | * | | | trans | -94.1 | 152 | 163.8 | -71.5 | -165.4 | -5 | 0 | 0 | 111.1 | L385 S389 | L385-Q387 PolarHBondContact O-N 3.32Å; Q387-S389 PolarHBondContact O-N 3.13Å |
| 388 | N | 38.6 | Very low | 34.3 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 83% | 0.829 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -57.1 | 136.4 | -172.5 | -67.5 | -33 | 0 | 0 | 0 | 111.9 | D390 | N388-D390 VanDerWaalsContact C-N 3.3Å; N388-D390 PolarHBondContact O-N 3.28Å |
| 389 | S | 33.9 | Very low | 34.2 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 83% | 0.832 | 58% | 0.579 | S | S | * | * | S | Bend | trans | 66 | -27.1 | 170.9 | 28.5 | 0 | 0 | 0 | 0 | 120.2 | Q387 | Q387-S389 PolarHBondContact O-N 3.13Š|
| 390 | D | 33.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 62% | 0.615 | 57% | 0.573 | S | S | * | * | | | trans | -126.6 | 109.8 | -176.9 | -75 | -53.1 | 0 | 0 | 0 | 114.2 | N388 Y392 | N388-D390 VanDerWaalsContact C-N 3.3Å; N388-D390 PolarHBondContact O-N 3.28Å; D390-Y392 HydrophobicContact CB-CD2 4.28Å; D390-Y392 HydrophobicContact CB-CE2 4.16Å; D390-Y392 PolarHBondContact O-N 2.81Å |
| 391 | S | 31.8 | Very low | 33.8 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 79% | 0.79 | 58% | 0.579 | S | S | * | * | | | trans | -82.7 | 98.4 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 392 | Y | 28.5 | Very low | 33.6 | Very low | 163 Ų | 163 | 116.5 Ų | 116.5 | 64% | 0.639 | 59% | 0.592 | S | S | * | * | | | trans | -95.5 | 123.3 | 168.4 | -81.9 | -95.2 | 0 | 0 | 0 | 111.5 | D390 | D390-Y392 HydrophobicContact CB-CD2 4.28Å; D390-Y392 HydrophobicContact CB-CE2 4.16Å; D390-Y392 PolarHBondContact O-N 2.81Å |
| 393 | N | 34.7 | Very low | 33.5 | Very low | 92 Ų | 92 | 117.6 Ų | 117.6 | 49% | 0.492 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.3 | 168.6 | -65.1 | -33 | 0 | 0 | 0 | 109.3 | | |
| 394 | K | 36.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 122.4 Ų | 122.4 | 44% | 0.439 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.8 | 167.7 | -93.9 | -172.9 | 172 | -175.2 | 0 | 110.4 | L401 | K394-L401 HydrophobicContact CD-CD2 4.2Å |
| 395 | Y | 31.9 | Very low | 33.3 | Very low | 176 Ų | 176 | 125.3 Ų | 125.3 | 69% | 0.69 | 66% | 0.656 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.8 | 172.5 | -61.7 | -81.7 | 0 | 0 | 0 | 109.7 | | |
| 396 | L | 31.3 | Very low | 33.1 | Very low | 61 Ų | 61 | 128 Ų | 128 | 32% | 0.319 | 67% | 0.671 | S | S | . | * | | | trans | -82.5 | 126.4 | 167.1 | -95.6 | 150.7 | 0 | 0 | 0 | 109.3 | V381 | V381-L396 HydrophobicContact CB-CD1 4.35Š|
| 397 | V | 34.8 | Very low | 32.6 | Very low | 88 Ų | 88 | 126.9 Ų | 126.9 | 53% | 0.533 | 68% | 0.679 | S | S | . | * | B | Isolated β-bridge | trans | -128.5 | 127.1 | 169.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | N399 E400 | V397-N399 VanDerWaalsContact C-N 3.32Å; V397-N399 PolarHBondContact O-N 2.78Å; V397-N399 VanDerWaalsContact O-N 3.16Å; V397-E400 PolarHBondContact O-N 3.26Å |
| 398 | N | 33.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 35 | 171.3 | -57.5 | -15.5 | 0 | 0 | 0 | 116.8 | E400 | N398-E400 PolarHBondContact O-N 3.26Å; N398-E400 VanDerWaalsContact O-N 3.12Å |
| 399 | N | 37.2 | Very low | 31.6 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.2 | 11.5 | -179.3 | -66.4 | -20.9 | 0 | 0 | 0 | 116 | V397 | V397-N399 VanDerWaalsContact C-N 3.32Å; V397-N399 PolarHBondContact O-N 2.78Å; V397-N399 VanDerWaalsContact O-N 3.16Å |
| 400 | E | 30.8 | Very low | 31.2 | Very low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | B | Isolated β-bridge | trans | -108.5 | 132.1 | 176.2 | -70.3 | -170.1 | 150.6 | 0 | 0 | 111.8 | V397 N398 L402 | V397-E400 PolarHBondContact O-N 3.26Å; N398-E400 PolarHBondContact O-N 3.26Å; N398-E400 VanDerWaalsContact O-N 3.12Å; E400-L402 PolarHBondContact O-N 3.02Å |
| 401 | L | 31.7 | Very low | 30.8 | Very low | 132 Ų | 132 | 131 Ų | 131 | 69% | 0.691 | 70% | 0.696 | S | S | * | * | | | trans | -91.2 | 84.2 | 179.6 | -117 | 160.3 | 0 | 0 | 0 | 109.4 | K394 P403 | K394-L401 HydrophobicContact CD-CD2 4.2Å; L401-P403 WeakPolarHBondContact O-CD 3.18Å |
| 402 | L | 28 | Very low | 30.5 | Very low | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | | | trans | -62.9 | 125.7 | 172.9 | -78.8 | 163.8 | 0 | 0 | 0 | 110.7 | E400 T404 | E400-L402 PolarHBondContact O-N 3.02Å; L402-T404 PolarHBondContact O-N 3.22Å |
| 403 | P | 33.7 | Very low | 30.3 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -75.9 | 108.5 | 164.7 | -3.3 | 21.2 | 0 | 0 | 0 | 108.1 | L401 | L401-P403 WeakPolarHBondContact O-CD 3.18Š|
| 404 | T | 32.9 | Very low | 29.9 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | | | trans | -77.4 | 128.1 | 167.1 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | L402 | L402-T404 PolarHBondContact O-N 3.22Š|
| 405 | D | 28.3 | Very low | 29.5 | Very low | 157 Ų | 157 | 135.8 Ų | 135.8 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | | | trans | -55.3 | 136.1 | -176.7 | -62.4 | -67.6 | 0 | 0 | 0 | 113.3 | | |
| 406 | N | 29.6 | Very low | 29.2 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | | | trans | -117.9 | 97.6 | 152 | -119.7 | -14 | 0 | 0 | 0 | 108.6 | S408 | N406-S408 PolarHBondContact O-N 3.04Š|
| 407 | C | 25.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 140.5 Ų | 140.5 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | trans | -33.2 | 124.4 | 171.2 | 176.3 | 0 | 0 | 0 | 0 | 114 | | |
| 408 | S | 27.5 | Very low | 28.7 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -158.7 | 91.6 | 154.2 | -84.9 | 0 | 0 | 0 | 0 | 112.4 | N406 | N406-S408 PolarHBondContact O-N 3.04Š|
| 409 | K | 27.4 | Very low | 28.4 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 41.7 | 91 | 144.7 | -60.3 | 174.5 | -179.1 | 175.9 | 0 | 117.4 | | |
| 410 | N | 26.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 143.4 Ų | 143.4 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | | | | -176.6 | 78.9 | 128.3 | -90.3 | -24.3 | 0 | 0 | 0 | 109.5 | H412 | N410-H412 PolarHBondContact O-N 3.12Š|
| 411 | L | 24.5 | Very low | 27.7 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | -80.7 | 108.7 | 163.8 | -95.2 | 76.6 | 0 | 0 | 0 | 108.7 | | |
| 412 | H | 26.1 | Very low | 27.4 | Very low | 174 Ų | 174 | 142 Ų | 142 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -117.9 | 94.5 | 139.6 | -145.2 | 58.6 | 0 | 0 | 0 | 106.5 | N410 D414 | N410-H412 PolarHBondContact O-N 3.12Å; H412-D414 PolarHBondContact O-N 3.48Å |
| 413 | C | 24 | Very low | 27.5 | Very low | 104 Ų | 104 | 143 Ų | 143 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | | | trans | -79.3 | 113 | 169.4 | -64.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 414 | D | 26.1 | Very low | 27.2 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 78% | 0.777 | S | S | * | * | | | trans | -124.2 | 140.9 | 156.1 | -122.7 | -22 | 0 | 0 | 0 | 109.3 | H412 | H412-D414 PolarHBondContact O-N 3.48Š|
| 415 | E | 28.6 | Very low | 26.9 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | | | trans | -72.9 | -179.4 | -149.6 | -51 | 175.7 | 134.7 | 0 | 0 | 116.4 | | |
| 416 | Q | 26 | Very low | 26.7 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 53% | 0.528 | 78% | 0.779 | S | S | . | * | | | trans | 89.9 | 68.1 | 153.3 | -57.3 | 156.1 | 40.5 | 0 | 0 | 119 | | |
| 417 | F | 27.7 | Very low | 26.7 | Very low | 222 Ų | 222 | 149.2 Ų | 149.2 | 97% | 0.974 | 78% | 0.782 | S | S | * | * | | | trans | -133.1 | 95.2 | 136.4 | -92.5 | -77.2 | 0 | 0 | 0 | 111.7 | | |
| 418 | T | 26.8 | Very low | 26.7 | Very low | 124 Ų | 124 | 151.7 Ų | 151.7 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -81.7 | 145.3 | 167.7 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 419 | S | 26.6 | Very low | 26.9 | Very low | 98 Ų | 98 | 154.5 Ų | 154.5 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | | | trans | 57.9 | 99.4 | 161.6 | 64.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 420 | F | 27.6 | Very low | 26.8 | Very low | 219 Ų | 219 | 153.7 Ų | 153.7 | 96% | 0.961 | 79% | 0.786 | S | S | * | * | | | | -130.3 | 125.8 | 116.9 | -106 | -84.5 | 0 | 0 | 0 | 109.2 | | |
| 421 | N | 26 | Very low | 27 | Very low | 148 Ų | 148 | 154 Ų | 154 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | | | trans | -116.5 | 109.3 | -171.9 | -179.5 | 7.6 | 0 | 0 | 0 | 108.8 | | |
| 422 | P | 26.8 | Very low | 27.1 | Very low | 101 Ų | 101 | 153.9 Ų | 153.9 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | trans | -95.3 | 125.5 | 175 | 32.9 | -27 | 0 | 0 | 0 | 111.9 | | |
| 423 | L | 28.2 | Very low | 27.4 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 71.8 | 95.7 | 150.8 | -54.1 | 171.9 | 0 | 0 | 0 | 117.5 | Y425 | L423-Y425 PolarHBondContact O-N 3.09Š|
| 424 | T | 27.4 | Very low | 27.8 | Very low | 139 Ų | 139 | 155 Ų | 155 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -39.6 | 116.1 | 136.1 | 44.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 425 | Y | 28.1 | Very low | 27.9 | Very low | 232 Ų | 232 | 156.2 Ų | 156.2 | 91% | 0.91 | 78% | 0.783 | S | S | * | * | | | trans | -135.5 | 125.9 | 149.3 | -130.2 | -93 | 0 | 0 | 0 | 109.5 | L423 | L423-Y425 PolarHBondContact O-N 3.09Š|
| 426 | S | 23.6 | Very low | 28.3 | Very low | 100 Ų | 100 | 155 Ų | 155 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -105 | 135 | -169.1 | 174.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 427 | K | 29 | Very low | 28.5 | Very low | 188 Ų | 188 | 155.8 Ų | 155.8 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | | | trans | -176.4 | 115.7 | 139.5 | -103.4 | 158.8 | -177.3 | -179.8 | 0 | 114.2 | | |
| 428 | H | 26.3 | Very low | 28.7 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | 57.6 | 118.6 | 136.6 | -70.2 | 39.4 | 0 | 0 | 0 | 120.1 | | |
| 429 | I | 31.2 | Very low | 29 | Very low | 170 Ų | 170 | 156.7 Ų | 156.7 | 87% | 0.872 | 79% | 0.791 | S | S | * | * | | | | -169.8 | 138.4 | 103.9 | -92 | 155.1 | 0 | 0 | 0 | 109.3 | | |
| 430 | H | 24.9 | Very low | 29.2 | Very low | 171 Ų | 171 | 159.6 Ų | 159.6 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -85.3 | 151 | 174.2 | -102.2 | -75.5 | 0 | 0 | 0 | 111.4 | | |
| 431 | I | 32.4 | Very low | 29.4 | Very low | 168 Ų | 168 | 156.2 Ų | 156.2 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | | | | -173.7 | 148.4 | 128.3 | -95.5 | 151.8 | 0 | 0 | 0 | 109.8 | | |
| 432 | M | 25.9 | Very low | 29.7 | Very low | 153 Ų | 153 | 156.5 Ų | 156.5 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | | | trans | -90.1 | 153.9 | -176.5 | -53.4 | -144.4 | -137.6 | 0 | 0 | 113.1 | | |
| 433 | N | 31.5 | Very low | 30.1 | Very low | 130 Ų | 130 | 159.3 Ų | 159.3 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | | | | 174.1 | 126.4 | 112.2 | -91.1 | -37.5 | 0 | 0 | 0 | 115.5 | | |
| 434 | Q | 33.3 | Very low | 30.4 | Very low | 172 Ų | 172 | 158.5 Ų | 158.5 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 59.9 | 127.7 | 131.1 | -58.4 | 175.6 | 43.9 | 0 | 0 | 122.3 | | |
| 435 | Q | 28.5 | Very low | 30.7 | Very low | 164 Ų | 164 | 156.6 Ų | 156.6 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | trans | -80 | 173.7 | 160.9 | -64.4 | -179.3 | -51.3 | 0 | 0 | 111.9 | | |
| 436 | P | 35.9 | Very low | 30.9 | Very low | 127 Ų | 127 | 150 Ų | 150 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | | | | -135.2 | 150.4 | 124.1 | 33.3 | -20.5 | 0 | 0 | 0 | 115.4 | | |
| 437 | N | 29.8 | Very low | 31.3 | Very low | 129 Ų | 129 | 154 Ų | 154 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | trans | -83.1 | 158.2 | 172.4 | -65.3 | -62.7 | 0 | 0 | 0 | 112 | | |
| 438 | Y | 33.9 | Very low | 31.6 | Very low | 224 Ų | 224 | 149.2 Ų | 149.2 | 88% | 0.878 | 75% | 0.753 | S | S | * | * | | | trans | -156.2 | 126.1 | 141.3 | -99.8 | -72.4 | 0 | 0 | 0 | 113.5 | | |
| 439 | L | 32.7 | Very low | 32.1 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | -13.6 | 140 | 163.4 | -65.1 | 149.3 | 0 | 0 | 0 | 119.3 | | |
| 440 | H | 29.4 | Very low | 32.3 | Very low | 158 Ų | 158 | 147.2 Ų | 147.2 | 73% | 0.731 | 74% | 0.744 | S | S | * | * | | | | 66.5 | 131.9 | 75.2 | -125.5 | 42.4 | 0 | 0 | 0 | 112.2 | | |
| 441 | E | 33 | Very low | 32.5 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | | | cis | -151.5 | 164.1 | 36.1 | -77.2 | 173.9 | 126.7 | 0 | 0 | 114.9 | | |
| 442 | Q | 32 | Very low | 32.5 | Very low | 153 Ų | 153 | 142.3 Ų | 142.3 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | | | trans | 28.9 | 137.5 | 141.5 | -53.6 | 175.5 | 11.9 | 0 | 0 | 120.7 | | |
| 443 | E | 35.8 | Very low | 32.8 | Very low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | | -165.2 | 153.7 | 61.2 | -80.5 | -167.6 | 135.5 | 0 | 0 | 113.8 | | |
| 444 | N | 33.2 | Very low | 32.9 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | trans | 33.5 | 140.3 | 133.4 | -52.1 | -33.2 | 0 | 0 | 0 | 121.1 | | |
| 445 | S | 33.5 | Very low | 32.7 | Very low | 99 Ų | 99 | 142.7 Ų | 142.7 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | | | cis | -174.2 | 144 | 7.2 | 46 | 0 | 0 | 0 | 0 | 114.1 | | |
| 446 | S | 32.7 | Very low | 33 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 74% | 0.741 | S | S | * | * | | | trans | 65.6 | 151.3 | 139.5 | 67.5 | 0 | 0 | 0 | 0 | 124 | | |
| 447 | F | 33.3 | Very low | 32.8 | Very low | 183 Ų | 183 | 144 Ų | 144 | 80% | 0.803 | 73% | 0.734 | S | S | * | * | | | trans | 73.3 | 111.2 | 173.6 | -67.8 | -86 | 0 | 0 | 0 | 115.8 | | |
| 448 | S | 34.7 | Very low | 33.1 | Very low | 87 Ų | 87 | 146.2 Ų | 146.2 | 61% | 0.608 | 74% | 0.741 | S | S | * | * | | | cis | 63 | 130.7 | 41.7 | 97.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 449 | E | 35.8 | Very low | 33.1 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | cis | -165.5 | 164.6 | 13.4 | -128.2 | 173.4 | 164.3 | 0 | 0 | 110.8 | | |
| 450 | L | 35.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 145 Ų | 145 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | | | trans | 66 | 107.8 | 148.4 | -64.7 | 165.9 | 0 | 0 | 0 | 123 | | |
| 451 | N | 30.2 | Very low | 33.6 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | | | | 65.2 | 116.9 | 117.6 | -74.8 | -5.6 | 0 | 0 | 0 | 123.4 | | |
| 452 | S | 32.3 | Very low | 33.8 | Very low | 96 Ų | 96 | 145.2 Ų | 145.2 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | | 106.4 | 147.6 | 113.2 | 71.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 453 | Y | 32.3 | Very low | 33.9 | Very low | 211 Ų | 211 | 144.5 Ų | 144.5 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | | | trans | 102.2 | 114.9 | 162.4 | -72.2 | -78.6 | 0 | 0 | 0 | 121.6 | | |
| 454 | C | 32.6 | Very low | 33.7 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 69% | 0.689 | 74% | 0.741 | S | S | * | * | | | trans | 62.7 | 111.1 | 144.6 | -72.9 | 0 | 0 | 0 | 0 | 123.1 | | |
| 455 | L | 29.7 | Very low | 33.7 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | | 33 | 116.4 | 108.9 | -81.7 | 159.9 | 0 | 0 | 0 | 118.6 | | |
| 456 | Q | 35.3 | Very low | 33.7 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | | | trans | -152.8 | 148.7 | 131.7 | -142.5 | 98.6 | 43 | 0 | 0 | 110.9 | | |
| 457 | D | 31.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 153.5 Ų | 153.5 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | | | trans | -68.5 | 152.7 | -172.7 | -55.6 | -88.5 | 0 | 0 | 0 | 115.4 | | |
| 458 | H | 35.7 | Very low | 33.9 | Very low | 177 Ų | 177 | 151.8 Ų | 151.8 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | | | trans | -157.8 | 95.5 | 140.6 | -103.7 | -57.7 | 0 | 0 | 0 | 112.2 | | |
| 459 | H | 34.8 | Very low | 34 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | -77.6 | 134.9 | 154.6 | -100.1 | -85.4 | 0 | 0 | 0 | 109.1 | | |
| 460 | H | 36.9 | Very low | 33.8 | Very low | 157 Ų | 157 | 151.4 Ų | 151.4 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -118.7 | 118.6 | 165.3 | -111.8 | 52.4 | 0 | 0 | 0 | 109.5 | | |
| 461 | H | 35.6 | Very low | 33.8 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | -71.8 | 140 | 166.3 | -94.8 | -93.5 | 0 | 0 | 0 | 109.7 | | |
| 462 | H | 37 | Very low | 33.9 | Very low | 150 Ų | 150 | 155.4 Ų | 155.4 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | trans | -129.1 | 97.2 | 155.1 | -114.3 | -78.5 | 0 | 0 | 0 | 109.4 | Y464 | H462-Y464 AromaticContact ND1-CE2 3.91Š|
| 463 | N | 34.3 | Very low | 34.1 | Very low | 139 Ų | 139 | 158 Ų | 158 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -76 | 132.2 | 162.8 | -75.3 | -27.3 | 0 | 0 | 0 | 108.3 | | |
| 464 | Y | 31.7 | Very low | 34.2 | Very low | 193 Ų | 193 | 156.6 Ų | 156.6 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -108.2 | 107.3 | 162 | -91.3 | -85.4 | 0 | 0 | 0 | 109.3 | H462 Y466 | H462-Y464 AromaticContact ND1-CE2 3.91Å; Y464-Y466 HydrophobicContact CD1-CD2 4.49Å |
| 465 | S | 32.1 | Very low | 34.5 | Very low | 105 Ų | 105 | 159.3 Ų | 159.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | -124 | 126.5 | 159.8 | 177.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 466 | Y | 34.2 | Very low | 34.7 | Very low | 216 Ų | 216 | 158.9 Ų | 158.9 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -127.6 | 112.1 | 173.2 | -113.6 | -84.2 | 0 | 0 | 0 | 109.8 | Y464 | Y464-Y466 HydrophobicContact CD1-CD2 4.49Š|
| 467 | H | 34.4 | Very low | 34.9 | Very low | 163 Ų | 163 | 159 Ų | 159 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | -91.6 | 127.2 | 172.3 | -122.9 | -48.6 | 0 | 0 | 0 | 108.9 | | |
| 468 | N | 35.1 | Very low | 35.2 | Very low | 147 Ų | 147 | 159.4 Ų | 159.4 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -178.7 | 116.2 | 141.5 | -97.7 | -29 | 0 | 0 | 0 | 108.3 | | |
| 469 | V | 36.9 | Very low | 35.3 | Very low | 102 Ų | 102 | 154.7 Ų | 154.7 | 62% | 0.618 | 79% | 0.789 | S | S | * | * | | | | 85.7 | 110.7 | 69.8 | 167.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 470 | N | 33 | Very low | 35.5 | Very low | 141 Ų | 141 | 151.2 Ų | 151.2 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | | | trans | 38.3 | 123.4 | 149.4 | -55.7 | -20 | 0 | 0 | 0 | 120.3 | | |
| 471 | Q | 35.6 | Very low | 35.7 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | | -167.6 | 139.6 | 106.3 | -103.1 | 164.4 | 31.3 | 0 | 0 | 113.6 | | |
| 472 | L | 31.7 | Very low | 35.8 | Very low | 165 Ų | 165 | 146.4 Ų | 146.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -74.6 | 142.1 | 163.4 | -83.3 | 145 | 0 | 0 | 0 | 109.9 | | |
| 473 | L | 36.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 146 Ų | 146 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | | | trans | -166 | 105.6 | 148.4 | -109.4 | 146.8 | 0 | 0 | 0 | 110.9 | | |
| 474 | E | 34.4 | Very low | 36.6 | Very low | 183 Ų | 183 | 147.6 Ų | 147.6 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | -69.8 | 135.4 | 155.5 | -61.5 | 175 | 126.9 | 0 | 0 | 108.5 | | |
| 475 | L | 38.1 | Very low | 37.5 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | | | trans | -152.5 | 136 | 150.1 | -96.7 | -172.9 | 0 | 0 | 0 | 111.5 | | |
| 476 | N | 34.3 | Very low | 38 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 80% | 0.802 | S | S | * | * | | | trans | -65 | 148.9 | -179.5 | -57.4 | -69.6 | 0 | 0 | 0 | 113.1 | | |
| 477 | M | 39.4 | Very low | 38.5 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 93% | 0.931 | 79% | 0.794 | S | S | * | * | | | trans | -145.9 | 110.9 | 138.9 | -81.7 | -55.6 | -89.9 | 0 | 0 | 110.3 | | |
| 478 | T | 36.7 | Very low | 39.5 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | | | trans | -80.9 | 139.5 | 168.3 | 43.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 479 | G | 38.6 | Very low | 39.7 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | trans | -159.8 | 112.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 480 | A | 38.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | | | trans | -79.4 | 151.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 481 | S | 40.1 | Very low | 40.3 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | | | trans | -141.2 | 143.5 | 145.4 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 482 | S | 37.6 | Very low | 40.5 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 83% | 0.834 | S | S | * | * | | | trans | -104.9 | 133 | -167 | 158.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 483 | V | 47.7 | Very low | 41.1 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | | | trans | -132.6 | 120.5 | 147.6 | -177.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 484 | K | 41.2 | Very low | 41.4 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 76% | 0.757 | 84% | 0.835 | S | S | * | * | | | trans | -92.3 | 151.9 | 165.8 | -63.9 | 175.3 | 176.3 | 179.7 | 0 | 107.6 | | |
| 485 | D | 50 | Low | 41.9 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -163.9 | 134.5 | 140.1 | -98 | -25.7 | 0 | 0 | 0 | 111.1 | | |
| 486 | Y | 42.5 | Very low | 42.2 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 78% | 0.776 | 83% | 0.834 | S | S | * | * | | | trans | 30.9 | 118.2 | 161.4 | -59.4 | -90.7 | 0 | 0 | 0 | 119.9 | | |
| 487 | S | 46.3 | Very low | 42.8 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 84% | 0.84 | S | S | * | * | | | | 47.9 | 122.2 | 65.4 | 74.6 | 0 | 0 | 0 | 0 | 114 | | |
| 488 | D | 54.9 | Low | 43.1 | Very low | 241 Ų | 241 | 139 Ų | 139 | 100% | 1.289 | 83% | 0.832 | S | S | * | * | | | cis | -106 | 0 | 14 | -68.6 | -52.2 | 0 | 0 | 0 | 115.4 | | |