| 1 | M | 37 | Very low | 36.8 | Very low | 240 Ų | 240 | 160.8 Ų | 160.8 | 100% | 1.182 | 86% | 0.864 | S | S | * | * | | | | 0 | 147.7 | 0 | -87.8 | 178.3 | 161.4 | 0 | 0 | 108.2 | | |
| 2 | L | 37.2 | Very low | 36.4 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 94% | 0.937 | 86% | 0.856 | S | S | * | * | | | trans | 66.6 | 150.7 | 168.2 | -68.2 | 164.5 | 0 | 0 | 0 | 118.3 | | |
| 3 | E | 34.8 | Very low | 37 | Very low | 181 Ų | 181 | 151.2 Ų | 151.2 | 85% | 0.846 | 86% | 0.856 | S | S | * | * | | | trans | -107.6 | 167.3 | -172 | -92.4 | -171.4 | 158.7 | 0 | 0 | 111.9 | | |
| 4 | P | 45.7 | Very low | 37.1 | Very low | 116 Ų | 116 | 147.2 Ų | 147.2 | 75% | 0.753 | 84% | 0.839 | S | S | * | * | | | trans | -80.9 | 162.6 | 177.5 | 34.9 | -37.3 | 0 | 0 | 0 | 113.2 | | |
| 5 | K | 36.3 | Very low | 37.1 | Very low | 211 Ų | 211 | 149.3 Ų | 149.3 | 92% | 0.917 | 83% | 0.83 | S | S | * | * | | | trans | -156.1 | 152.9 | 151.3 | -113 | 155.6 | -171.8 | 169 | 0 | 111.3 | | |
| 6 | A | 32.8 | Very low | 37 | Very low | 91 Ų | 91 | 146.9 Ų | 146.9 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | | | trans | -113.1 | -177.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 7 | V | 34.4 | Very low | 36.9 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | | | trans | 133.4 | 108.5 | 153.4 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 8 | V | 35.6 | Very low | 36.7 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 80% | 0.8 | 82% | 0.817 | S | S | * | * | | | trans | -154.2 | 126.3 | 143.1 | 179.2 | 0 | 0 | 0 | 0 | 103.5 | | |
| 9 | E | 38 | Very low | 36.9 | Very low | 165 Ų | 165 | 139.7 Ų | 139.7 | 77% | 0.771 | 81% | 0.811 | S | S | * | * | | | cis | -165.2 | 149.7 | -17.4 | -110.3 | 165.1 | -176.4 | 0 | 0 | 104 | | |
| 10 | Q | 34 | Very low | 36.7 | Very low | 189 Ų | 189 | 139.5 Ų | 139.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -107.6 | 145.8 | 161.2 | -78.1 | -170.6 | -27.5 | 0 | 0 | 107.8 | | |
| 11 | P | 38.8 | Very low | 36.8 | Very low | 134 Ų | 134 | 141 Ų | 141 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | | -139.7 | 171.9 | 107.3 | 37.2 | -25.2 | 0 | 0 | 0 | 112.3 | | |
| 12 | G | 32.8 | Very low | 36.7 | Very low | 74 Ų | 74 | 138.5 Ų | 138.5 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | cis | 172.6 | 157.9 | -3.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 13 | S | 43.2 | Very low | 36.9 | Very low | 123 Ų | 123 | 138.1 Ų | 138.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -130.2 | 128.6 | -178.7 | 179.2 | 0 | 0 | 0 | 0 | 111 | | |
| 14 | P | 39.4 | Very low | 37 | Very low | 95 Ų | 95 | 133.1 Ų | 133.1 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | | | trans | -121.9 | 133.7 | 173.9 | 16.3 | 6.1 | 0 | 0 | 0 | 115.3 | | |
| 15 | Y | 36.5 | Very low | 36.3 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | 50.2 | 133.8 | 139.1 | -47.7 | -53.6 | 0 | 0 | 0 | 121.5 | D1259 | Y15-D1259 WeakPolarHBondContact CE2-OD1 3.38Š|
| 16 | S | 36.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 130.8 Ų | 130.8 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | cis | 75.9 | 158 | 8.8 | -152.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 17 | V | 34.2 | Very low | 36.8 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | 73.7 | 145.1 | -173.7 | -168.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 18 | G | 33.3 | Very low | 36.8 | Very low | 68 Ų | 68 | 134.5 Ų | 134.5 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | cis | 149 | -165 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 19 | P | 40.1 | Very low | 36.9 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | | -135.6 | -159.3 | -84.6 | 40.6 | -25.8 | 0 | 0 | 0 | 114.5 | | |
| 20 | N | 33.3 | Very low | 36.6 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | trans | 79.3 | 129.4 | 170.3 | -60.1 | 4.5 | 0 | 0 | 0 | 116.3 | | |
| 21 | E | 39.8 | Very low | 36.7 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | cis | 81.9 | 115.6 | 41.6 | -70.3 | -168.8 | 177 | 0 | 0 | 114.9 | | |
| 22 | F | 35 | Very low | 36.3 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | | | trans | -165.2 | 127.8 | 147.9 | -115.5 | -72.7 | 0 | 0 | 0 | 112.6 | | |
| 23 | Q | 40.9 | Very low | 36.7 | Very low | 172 Ų | 172 | 134 Ų | 134 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | | | trans | 58.3 | 150 | 159.6 | -75.6 | 158.7 | 19.1 | 0 | 0 | 119.8 | | |
| 24 | A | 37 | Very low | 36.2 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 62% | 0.62 | 73% | 0.727 | S | S | * | * | | | cis | -163.5 | 171.7 | -20 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 25 | Q | 31.3 | Very low | 36 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | | | trans | 7.8 | 139.2 | 144.8 | -61.1 | 161.8 | -12.3 | 0 | 0 | 117 | | |
| 26 | D | 37.9 | Very low | 36.4 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | | | | -172.4 | 170 | 56.5 | -160.5 | 9.8 | 0 | 0 | 0 | 112.9 | | |
| 27 | R | 41.3 | Very low | 36.8 | Very low | 202 Ų | 202 | 133.9 Ų | 133.9 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | 68.4 | 133.9 | 169.8 | -64.9 | 137.3 | -144.3 | -156.4 | 7.1 | 116.7 | | |
| 28 | S | 34.3 | Very low | 37.1 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | cis | 88.4 | 133.8 | 35.5 | -60.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 29 | F | 37.4 | Very low | 37.3 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 89% | 0.89 | 71% | 0.709 | S | S | * | * | | | trans | 65.7 | 121.4 | 178.4 | -67.8 | -79.8 | 0 | 0 | 0 | 117.6 | K31 | F29-K31 PolarHBondContact O-N 3.28Š|
| 30 | S | 31.7 | Very low | 37 | Very low | 83 Ų | 83 | 137 Ų | 137 | 58% | 0.58 | 71% | 0.706 | S | S | * | * | | | trans | -71.3 | 111 | 156.9 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | Q32 | S30-Q32 WeakPolarHBondContact O-CB 3.25Å; S30-Q32 PolarHBondContact O-OE1 2.95Å; S30-Q32 PolarHBondContact OG-OE1 3.27Å |
| 31 | K | 35.1 | Very low | 37.2 | Very low | 197 Ų | 197 | 138.2 Ų | 138.2 | 86% | 0.857 | 71% | 0.708 | S | S | * | * | | | trans | -103.4 | 111.8 | 130.3 | -90.3 | -156.6 | 171.1 | -173 | 0 | 106.6 | F29 | F29-K31 PolarHBondContact O-N 3.28Š|
| 32 | Q | 32 | Very low | 36.9 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | | | cis | 62.3 | 115.7 | 21 | -143.1 | 175.9 | -20.5 | 0 | 0 | 110.3 | S30 | S30-Q32 WeakPolarHBondContact O-CB 3.25Å; S30-Q32 PolarHBondContact O-OE1 2.95Å; S30-Q32 PolarHBondContact OG-OE1 3.27Å |
| 33 | G | 40.5 | Very low | 37 | Very low | 59 Ų | 59 | 133.9 Ų | 133.9 | 61% | 0.608 | 70% | 0.701 | S | S | * | * | | | trans | 102.1 | 103.1 | -139.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 34 | E | 32.3 | Very low | 36.7 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | | | cis | 59.3 | 157.5 | 10 | -173.8 | 173.8 | -139.6 | 0 | 0 | 113.3 | | |
| 35 | G | 35.8 | Very low | 36.5 | Very low | 54 Ų | 54 | 134.6 Ų | 134.6 | 56% | 0.557 | 70% | 0.702 | S | S | * | * | | | trans | 83.8 | 136 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 36 | L | 44.4 | Very low | 36.5 | Very low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | S | Bend | cis | -135.1 | 139.2 | -2.8 | -69.9 | 167.2 | 0 | 0 | 0 | 108 | E38 | L36-E38 HydrophobicContact CD2-CG 3.95Š|
| 37 | N | 44.7 | Very low | 36.9 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 72% | 0.722 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -122.1 | 126.9 | 20 | -63.5 | -74.6 | 0 | 0 | 0 | 111.1 | | |
| 38 | E | 40.6 | Very low | 36.8 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 54% | 0.542 | 71% | 0.705 | S | S | . | * | | | | 71 | 135.1 | 94.8 | -63.1 | -166.1 | 152.2 | 0 | 0 | 114.4 | L36 | L36-E38 HydrophobicContact CD2-CG 3.95Š|
| 39 | K | 36.9 | Very low | 37 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | | | cis | -158.4 | 136.9 | 7.3 | -115.6 | 156.4 | -172.6 | 150.3 | 0 | 111 | | |
| 40 | V | 34.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 62% | 0.624 | 69% | 0.689 | S | S | * | * | | | | 54.3 | 133.1 | 116.3 | 171.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 41 | E | 37.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | | | cis | -170.1 | 164.3 | -6.3 | -115.7 | 170.5 | -175.2 | 0 | 0 | 113.1 | | |
| 42 | S | 32.7 | Very low | 36.8 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | | | trans | 55.5 | 156.2 | 148.1 | 60 | 0 | 0 | 0 | 0 | 122.8 | | |
| 43 | E | 36.8 | Very low | 36.8 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | | | cis | -160.6 | 151 | -15 | -101.3 | -178.3 | 135.7 | 0 | 0 | 107 | | |
| 44 | I | 35.5 | Very low | 36.4 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | | | cis | 87.4 | 125.5 | 42.1 | -67.1 | 174 | 0 | 0 | 0 | 113.1 | | |
| 45 | V | 32.3 | Very low | 36.7 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 70% | 0.697 | 70% | 0.699 | S | S | * | * | | | cis | -166.3 | 156.3 | -15.7 | 104.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 46 | N | 32.6 | Very low | 36.4 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 63% | 0.626 | 71% | 0.713 | S | S | * | * | | | trans | 63.2 | 152.6 | 169.9 | -75.2 | -28.8 | 0 | 0 | 0 | 120.4 | | |
| 47 | P | 44.9 | Very low | 36 | Very low | 105 Ų | 105 | 140 Ų | 140 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | | | trans | -101.1 | 160.7 | 175.8 | 39 | -34.7 | 0 | 0 | 0 | 115.5 | | |
| 48 | E | 40.7 | Very low | 35.9 | Very low | 188 Ų | 188 | 141.4 Ų | 141.4 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | | | trans | 55.4 | 119 | 156.4 | -67.1 | 166.7 | -160.7 | 0 | 0 | 118.1 | | |
| 49 | E | 36.7 | Very low | 35.8 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | | | cis | -151 | 138.5 | 32 | -69 | -177.8 | 122.2 | 0 | 0 | 112.4 | | |
| 50 | Q | 35 | Very low | 35.8 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | | | trans | -162.6 | 118.3 | 133.4 | -113.5 | -174.9 | 16.8 | 0 | 0 | 109.5 | P1288 | Q50-P1288 PolarHBondContact NE2-O 3.1Š|
| 51 | N | 33.2 | Very low | 35.9 | Very low | 137 Ų | 137 | 142.2 Ų | 142.2 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | trans | -83.4 | 134 | 170.4 | -69.5 | -73.7 | 0 | 0 | 0 | 109.5 | | |
| 52 | N | 33.2 | Very low | 35.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 67% | 0.668 | 73% | 0.727 | S | S | * | * | | | | -177.8 | 162.3 | 113 | -99 | 14.1 | 0 | 0 | 0 | 114.3 | | |
| 53 | E | 32.7 | Very low | 35.9 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | | | trans | 62.2 | 78.9 | 150.1 | -72 | 152.2 | -117.1 | 0 | 0 | 119.5 | | |
| 54 | W | 30.5 | Very low | 35.8 | Very low | 237 Ų | 237 | 139.7 Ų | 139.7 | 90% | 0.898 | 72% | 0.716 | S | S | * | * | | | | 34.3 | 142.4 | 105.5 | -66.4 | 71 | 0 | 0 | 0 | 119.6 | | |
| 55 | P | 38.3 | Very low | 36 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | | | | -141.7 | -156.1 | -56.3 | 39.1 | -18.7 | 0 | 0 | 0 | 111.6 | | |
| 56 | E | 29.6 | Very low | 35.8 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | | | trans | 89.3 | 155 | 153.5 | -152.1 | 165.7 | -130.7 | 0 | 0 | 119.2 | | |
| 57 | V | 35.9 | Very low | 36 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 76% | 0.758 | 72% | 0.722 | S | S | * | * | | | trans | 75 | 96.7 | 175.2 | -164.7 | 0 | 0 | 0 | 0 | 118 | | |
| 58 | Q | 42.8 | Very low | 35.5 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 73% | 0.727 | S | S | * | * | | | trans | -83.8 | 144 | 151.5 | -67.6 | 178.9 | -35 | 0 | 0 | 110.7 | T60 | Q58-T60 HydrophobicContact CB-CG2 4.24Å; Q58-T60 WeakPolarHBondContact O-CG2 3.43Å |
| 59 | P | 38.8 | Very low | 34.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -114.2 | 121.3 | 148.6 | 33.4 | -22.6 | 0 | 0 | 0 | 110 | | |
| 60 | T | 37.5 | Very low | 34.9 | Very low | 68 Ų | 68 | 143.7 Ų | 143.7 | 42% | 0.417 | 73% | 0.732 | S | S | . | * | | | cis | 96.1 | 66.9 | 24.7 | 80.4 | 0 | 0 | 0 | 0 | 116.5 | Q58 L63 | Q58-T60 HydrophobicContact CB-CG2 4.24Å; Q58-T60 WeakPolarHBondContact O-CG2 3.43Å; T60-L63 HydrophobicContact CG2-CB 4.32Å; T60-L63 HydrophobicContact CG2-CD1 3.65Å; T60-L63 HydrophobicContact CG2-CG 3.73Å |
| 61 | E | 36 | Very low | 35 | Very low | 199 Ų | 199 | 148.2 Ų | 148.2 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | | -87.7 | 128.5 | 122.6 | -68.9 | -164.4 | 150.5 | 0 | 0 | 108.2 | | |
| 62 | N | 31 | Very low | 35.2 | Very low | 129 Ų | 129 | 150.7 Ų | 150.7 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -129 | 106.2 | -8.3 | -165.3 | -29.8 | 0 | 0 | 0 | 110 | M64 | N62-M64 PolarHBondContact O-N 3.41Å; N62-M64 PolarHBondContact OD1-N 2.75Å |
| 63 | L | 39.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 152 Ų | 152 | 49% | 0.492 | 75% | 0.754 | S | S | . | * | | | trans | -78.9 | 67.6 | 172.7 | -105.8 | -173.2 | 0 | 0 | 0 | 111 | T60 N65 K66 | T60-L63 HydrophobicContact CG2-CB 4.32Å; T60-L63 HydrophobicContact CG2-CD1 3.65Å; T60-L63 HydrophobicContact CG2-CG 3.73Å; L63-N65 PolarHBondContact O-N 3.34Å; L63-K66 HydrophobicContact CD2-CB 3.77Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 3.87Å |
| 64 | M | 36.6 | Very low | 35.1 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | | | trans | -80.8 | 102.4 | 151.6 | -73 | -155.9 | 175.5 | 0 | 0 | 109.1 | N62 | N62-M64 PolarHBondContact O-N 3.41Å; N62-M64 PolarHBondContact OD1-N 2.75Å |
| 65 | N | 37.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | 79.7 | 53.8 | 160.7 | -46.4 | -49 | 0 | 0 | 0 | 118.3 | L63 | L63-N65 PolarHBondContact O-N 3.34Š|
| 66 | K | 29.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | S | Bend | | -74.3 | 152.5 | 127 | -85 | -175.7 | 179.2 | 172.1 | 0 | 108.2 | L63 | L63-K66 HydrophobicContact CD2-CB 3.77Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 3.87Å |
| 67 | A | 35.7 | Very low | 34.7 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | | | trans | 66.7 | 66 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | K69 | A67-K69 HydrophobicContact CB-CB 4.49Å; A67-K69 HydrophobicContact CB-CG 4.25Å; A67-K69 PolarHBondContact O-N 3.48Å |
| 68 | L | 34.3 | Very low | 34.4 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | | | trans | -87.4 | 61.1 | 131.5 | -146.2 | 164.1 | 0 | 0 | 0 | 109 | L70 | L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CD2-CB 4.18Å; L68-L70 PolarHBondContact O-N 3.06Å |
| 69 | K | 29.5 | Very low | 33.9 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | trans | -76.4 | 69.3 | 174.7 | -83.2 | -174.9 | 173.5 | 178.2 | 0 | 109.9 | A67 | A67-K69 HydrophobicContact CB-CB 4.49Å; A67-K69 HydrophobicContact CB-CG 4.25Å; A67-K69 PolarHBondContact O-N 3.48Å |
| 70 | L | 37.1 | Very low | 33.3 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -137.4 | 132.2 | 173 | -73.6 | 177.1 | 0 | 0 | 0 | 112.5 | L68 | L68-L70 VanDerWaalsContact C-N 3.26Å; L68-L70 HydrophobicContact CD2-CB 4.18Å; L68-L70 PolarHBondContact O-N 3.06Å |
| 71 | R | 36.9 | Very low | 32.7 | Very low | 234 Ų | 234 | 148 Ų | 148 | 88% | 0.883 | 74% | 0.74 | S | S | * | * | | | trans | 72.4 | 109.1 | -173.3 | -55.6 | -176.7 | 178.1 | -166.6 | -2.1 | 112.1 | | |
| 72 | K | 36 | Very low | 32.6 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | | | | 66.3 | 115 | 76.4 | -68.9 | -178.1 | 179.2 | -172.1 | 0 | 109.5 | | |
| 73 | N | 26.2 | Very low | 32.7 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 73% | 0.725 | S | S | * | * | | | cis | 49.5 | 61.7 | 41.7 | -100.1 | 29.7 | 0 | 0 | 0 | 111.7 | | |
| 74 | N | 38.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | | -147.8 | 132.6 | 123.6 | -90.8 | -13.1 | 0 | 0 | 0 | 105.6 | | |
| 75 | H | 34.8 | Very low | 32.1 | Very low | 165 Ų | 165 | 150.8 Ų | 150.8 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | | | | 45.8 | 88.7 | 80.2 | -65.8 | -73 | 0 | 0 | 0 | 109.9 | | |
| 76 | A | 26 | Very low | 31.7 | Very low | 79 Ų | 79 | 148 Ų | 148 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | | | | 69.9 | 161.8 | 78.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 77 | L | 28.4 | Very low | 32 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | | | trans | 74.8 | 153.4 | 178.6 | -39.9 | -170.6 | 0 | 0 | 0 | 113.6 | N79 | L77-N79 WeakPolarHBondContact CB-O 3.44Å; L77-N79 HydrophobicContact CD2-CB 4.26Å; L77-N79 WeakPolarHBondContact CD2-O 3.44Å |
| 78 | P | 30.1 | Very low | 31.6 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | | | cis | -70.2 | 136.1 | -5.9 | 31.7 | -34.5 | 0 | 0 | 0 | 110.2 | | |
| 79 | N | 32.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 62% | 0.62 | 73% | 0.732 | S | S | * | * | S | Bend | cis | -39.7 | 128.2 | 34.5 | -56.7 | 2 | 0 | 0 | 0 | 119.7 | L77 | L77-N79 WeakPolarHBondContact CB-O 3.44Å; L77-N79 HydrophobicContact CD2-CB 4.26Å; L77-N79 WeakPolarHBondContact CD2-O 3.44Å |
| 80 | H | 26.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 148.9 Ų | 148.9 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | | | trans | 64.8 | 143.9 | 172.1 | -39.7 | -67.7 | 0 | 0 | 0 | 113.9 | | |
| 81 | Y | 24.7 | Very low | 31.9 | Very low | 203 Ų | 203 | 147 Ų | 147 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | | | cis | -138.6 | -162.8 | 11.8 | -80.9 | -86.7 | 0 | 0 | 0 | 109.4 | | |
| 82 | P | 34.2 | Very low | 31.9 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 66% | 0.662 | 70% | 0.699 | S | S | * | * | | | | -107.2 | -167.1 | -62.4 | 34.4 | -19.4 | 0 | 0 | 0 | 108.6 | | |
| 83 | H | 32.8 | Very low | 31.9 | Very low | 138 Ų | 138 | 132.8 Ų | 132.8 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | | | cis | -123.5 | 162.5 | 0.8 | -93.3 | -77.9 | 0 | 0 | 0 | 106.8 | | |
| 84 | E | 27.6 | Very low | 32.6 | Very low | 156 Ų | 156 | 131 Ų | 131 | 73% | 0.729 | 67% | 0.666 | S | S | * | * | | | | 54 | 157.9 | 64.9 | -49.6 | -177 | 142.3 | 0 | 0 | 114.8 | | |
| 85 | W | 35.3 | Very low | 32.3 | Very low | 236 Ų | 236 | 129.3 Ų | 129.3 | 89% | 0.894 | 65% | 0.652 | S | S | * | * | | | trans | 68.5 | 127.6 | -161 | -56.8 | 65.5 | 0 | 0 | 0 | 113.1 | | |
| 86 | S | 29.9 | Very low | 32 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | | | cis | -163.6 | 179.7 | -14.5 | 39 | 0 | 0 | 0 | 0 | 108 | | |
| 87 | E | 34.5 | Very low | 32.2 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | | | trans | 68.1 | 107.2 | 175.2 | -53.2 | -178.5 | 176.6 | 0 | 0 | 113.4 | | |
| 88 | S | 29 | Very low | 32.3 | Very low | 95 Ų | 95 | 129 Ų | 129 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | | | cis | 64.2 | 140.7 | 30.2 | 98 | 0 | 0 | 0 | 0 | 115.3 | | |
| 89 | T | 34.2 | Very low | 32.4 | Very low | 106 Ų | 106 | 129 Ų | 129 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | | | trans | 57.5 | 55.4 | 154.1 | 49.4 | 0 | 0 | 0 | 0 | 118 | | |
| 90 | R | 39.6 | Very low | 32.7 | Very low | 237 Ų | 237 | 129.8 Ų | 129.8 | 89% | 0.894 | 64% | 0.644 | S | S | * | * | | | | -127.5 | 117.5 | 120.2 | -96.1 | -177.8 | -172.4 | 174.7 | 3.1 | 107.4 | | |
| 91 | N | 32.4 | Very low | 32.9 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | | | cis | 57.9 | 130.9 | 38.3 | -44.8 | 12.2 | 0 | 0 | 0 | 110.6 | | |
| 92 | A | 36.3 | Very low | 33.2 | Very low | 36 Ų | 36 | 123.4 Ų | 123.4 | 30% | 0.298 | 62% | 0.623 | S | S | . | * | | | cis | -153.6 | -170.1 | 16 | 0 | 0 | 0 | 0 | 0 | 111.3 | H94 S377 Q378 | A92-H94 PolarHBondContact O-N 3.38Å; A92-S377 PolarHBondContact O-OG 3.03Å; A92-Q378 CarbonylContact C-O 2.92Å |
| 93 | E | 36.8 | Very low | 33.1 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 41% | 0.411 | 60% | 0.6 | S | S | . | * | | | trans | 21.7 | 103.3 | 143.6 | -81.3 | 79.9 | -112.8 | 0 | 0 | 115 | Q378 Q379 S380 | E93-Q378 CarbonylContact C-O 3.49Å; E93-Q378 WeakPolarHBondContact CA-O 3.24Å; E93-Q378 PolarHBondContact N-O 3.15Å; E93-Q379 VanDerWaalsContact OE1-CD 3.22Å; E93-Q379 PolarHBondContact OE1-NE2 3.49Å; E93-S380 PolarHBondContact OE1-OG 2.99Å |
| 94 | H | 39.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 53% | 0.532 | 60% | 0.6 | S | S | . | * | | | | -162.7 | 178.2 | 60.4 | -90.2 | -36.7 | 0 | 0 | 0 | 118.5 | A92 Q378 Q379 | A92-H94 PolarHBondContact O-N 3.38Å; H94-Q378 PolarHBondContact N-O 2.66Å; H94-Q378 CarbonylContact O-C 3.2Å; H94-Q378 PolarHBondContact O-N 2.87Å; H94-Q379 WeakPolarHBondContact CA-O 3.41Å; H94-Q379 PolarHBondContact ND1-O 2.78Å |
| 95 | F | 34.3 | Very low | 33.6 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 43% | 0.434 | 59% | 0.588 | S | S | . | * | | | trans | -44.4 | 164.4 | 157.6 | -65.7 | -80.2 | 0 | 0 | 0 | 115.6 | S380 L381 | F95-S380 WeakPolarHBondContact CE2-O 3.19Å; F95-L381 WeakPolarHBondContact CE2-O 3.33Å; F95-L381 VanDerWaalsContact CZ-C 3.43Å; F95-L381 VanDerWaalsContact CZ-O 3.31Å; F95-L381 WeakPolarHBondContact CZ-O 3.5Å |
| 96 | G | 27.8 | Very low | 33.6 | Very low | 78 Ų | 78 | 111.8 Ų | 111.8 | 80% | 0.804 | 58% | 0.583 | S | S | * | * | | | cis | 91.4 | 30.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 97 | S | 30.9 | Very low | 34 | Very low | 85 Ų | 85 | 111.1 Ų | 111.1 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | | | trans | -150.6 | 127.6 | -179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 98 | Y | 28.9 | Very low | 34.2 | Very low | 197 Ų | 197 | 113.2 Ų | 113.2 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | | | trans | 53.5 | 140.6 | 139.1 | -75.2 | -104.4 | 0 | 0 | 0 | 121.1 | | |
| 99 | E | 33.3 | Very low | 34.5 | Very low | 126 Ų | 126 | 114.3 Ų | 114.3 | 59% | 0.589 | 58% | 0.576 | S | S | * | * | | | trans | 46.4 | 126 | 142.9 | -64.1 | 164.3 | -160 | 0 | 0 | 119.4 | E101 | E99-E101 WeakPolarHBondContact CA-OE1 3.36Š|
| 100 | K | 38.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 115.2 Ų | 115.2 | 57% | 0.574 | 58% | 0.581 | S | S | * | * | | | trans | 115.3 | 93 | 154.9 | -56.3 | 148.1 | -153.6 | 82.2 | 0 | 114.7 | | |
| 101 | E | 30.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 111.5 Ų | 111.5 | 57% | 0.565 | 57% | 0.574 | S | S | * | * | | | cis | 58 | 127.6 | -3.4 | 134 | -75.1 | -48.8 | 0 | 0 | 118.3 | E99 R354 | E99-E101 WeakPolarHBondContact CA-OE1 3.36Å; E101-R354 WeakPolarHBondContact O-CD 3.2Å; E101-R354 VanDerWaalsContact O-CZ 3.26Å; E101-R354 PolarHBondContact O-NE 3.12Å; E101-R354 PolarHBondContact O-NH2 2.78Å |
| 102 | M | 30.9 | Very low | 34.4 | Very low | 77 Ų | 77 | 112.6 Ų | 112.6 | 38% | 0.379 | 58% | 0.579 | S | S | . | * | | | trans | 77 | 93.3 | -179.4 | -79.4 | -74.5 | -170.7 | 0 | 0 | 120.3 | P107 R354 D355 | M102-P107 HydrophobicContact CE-CB 3.87Å; M102-P107 HydrophobicContact SD-CB 3.7Å; M102-R354 VanDerWaalsContact C-NE 3.29Å; M102-R354 PolarHBondContact O-NE 2.79Å; M102-R354 PolarHBondContact O-NH1 3.44Å; M102-R354 PolarHBondContact O-NH2 3.29Å; M102-D355 WeakPolarHBondContact CA-OD2 3.46Å; M102-D355 PolarHBondContact N-OD2 2.68Å |
| 103 | N | 31.7 | Very low | 34.3 | Very low | 35 Ų | 35 | 117.1 Ų | 117.1 | 19% | 0.187 | 60% | 0.597 | C | S | . | * | | | trans | 79.2 | 141.9 | 149.7 | -48.6 | -52.9 | 0 | 0 | 0 | 117.8 | G105 K106 A353 R354 D355 | N103-G105 WeakPolarHBondContact OD1-CA 3.39Å; N103-K106 VanDerWaalsContact OD1-CA 3.29Å; N103-K106 WeakPolarHBondContact OD1-CA 3.13Å; N103-K106 PolarHBondContact OD1-N 3.04Å; N103-A353 CarbonylContact C-O 3.3Å; N103-A353 VanDerWaalsContact C-O 3.28Å; N103-R354 WeakPolarHBondContact O-CB 3.28Å; N103-R354 PolarHBondContact O-NE 2.75Å; N103-R354 VanDerWaalsContact O-NE 3.09Å; N103-R354 PolarHBondContact O-NH1 2.83Å; N103-D355 PolarHBondContact N-OD2 3.23Å |
| 104 | I | 35.1 | Very low | 33.8 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | S | Bend | cis | -117.6 | 107.9 | 37.2 | -43.9 | 91.9 | 0 | 0 | 0 | 114.6 | A353 | I104-A353 PolarHBondContact N-O 3.09Š|
| 105 | G | 36.9 | Very low | 33.5 | Very low | 46 Ų | 46 | 120.3 Ų | 120.3 | 47% | 0.474 | 62% | 0.616 | S | S | . | * | S | Bend | cis | 116.7 | 179.3 | -14.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | N103 | N103-G105 WeakPolarHBondContact OD1-CA 3.39Š|
| 106 | K | 33.5 | Very low | 33.5 | Very low | 182 Ų | 182 | 121.4 Ų | 121.4 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | | | trans | 158.7 | 150.3 | 140.5 | -87.6 | 176.1 | 179.8 | -178.7 | 0 | 110.7 | N103 | N103-K106 VanDerWaalsContact OD1-CA 3.29Å; N103-K106 WeakPolarHBondContact OD1-CA 3.13Å; N103-K106 PolarHBondContact OD1-N 3.04Å |
| 107 | P | 39.7 | Very low | 34.3 | Very low | 76 Ų | 76 | 122.8 Ų | 122.8 | 49% | 0.494 | 62% | 0.624 | S | S | . | * | | | trans | -133.1 | -179.4 | -138.7 | 42.1 | -26.6 | 0 | 0 | 0 | 114.9 | M102 | M102-P107 HydrophobicContact CE-CB 3.87Å; M102-P107 HydrophobicContact SD-CB 3.7Å |
| 108 | R | 38.4 | Very low | 34.1 | Very low | 219 Ų | 219 | 127.6 Ų | 127.6 | 83% | 0.826 | 63% | 0.634 | S | S | * | * | | | | -170.4 | 150.4 | 120.6 | -105.9 | -179.1 | 164.2 | 150.9 | -4.8 | 114.8 | | |
| 109 | N | 35.4 | Very low | 35 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | | | trans | 52.9 | 93.8 | 151.2 | -65.9 | 34 | 0 | 0 | 0 | 120.2 | | |
| 110 | T | 29.3 | Very low | 35.2 | Very low | 125 Ų | 125 | 122.7 Ų | 122.7 | 77% | 0.767 | 64% | 0.637 | S | S | * | * | | | | -38.4 | 151.6 | 121.7 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 111 | E | 36.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 123.8 Ų | 123.8 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | | | trans | -161.3 | 140 | 132.2 | -115.7 | 174.9 | -155.5 | 0 | 0 | 113.1 | | |
| 112 | I | 36.9 | Very low | 35 | Very low | 126 Ų | 126 | 125.9 Ų | 125.9 | 65% | 0.646 | 66% | 0.658 | S | S | * | * | | | trans | 62.8 | 102.3 | 137.2 | -77 | 168.1 | 0 | 0 | 0 | 118.7 | | |
| 113 | L | 35.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | | | | 94.8 | 143 | 98 | -75.1 | -177.3 | 0 | 0 | 0 | 111 | | |
| 114 | H | 26.5 | Very low | 35.1 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | | | | 57.1 | 130.2 | 70.5 | -89.4 | -105.3 | 0 | 0 | 0 | 110.2 | | |
| 115 | D | 32.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | | | cis | -160.5 | 154 | 47.1 | -102.6 | -36.5 | 0 | 0 | 0 | 117.1 | | |
| 116 | D | 35.3 | Very low | 35.1 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 71% | 0.712 | S | S | * | * | | | trans | 50.2 | 175 | 133.5 | -73.4 | -11.2 | 0 | 0 | 0 | 126.1 | | |
| 117 | S | 43.9 | Very low | 35.3 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 72% | 0.719 | S | S | * | * | | | trans | 50.8 | 80.4 | 178.7 | 53.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 118 | K | 26.1 | Very low | 35.8 | Very low | 186 Ų | 186 | 136.3 Ų | 136.3 | 81% | 0.809 | 73% | 0.728 | S | S | * | * | | | cis | 56.1 | 131.9 | 35.9 | -107.6 | -180 | -174.6 | 169.1 | 0 | 114.2 | | |
| 119 | P | 48.1 | Very low | 35.8 | Very low | 106 Ų | 106 | 135 Ų | 135 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | | | trans | -91.8 | 179.8 | -174 | 40.2 | -38.8 | 0 | 0 | 0 | 112.7 | | |
| 120 | P | 38.7 | Very low | 36 | Very low | 114 Ų | 114 | 138 Ų | 138 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | | | | -119.3 | 139.7 | 118.1 | -2.5 | 23.4 | 0 | 0 | 0 | 111.3 | | |
| 121 | L | 28.3 | Very low | 36.3 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 74% | 0.738 | S | S | * | * | | | | 60.3 | 126.3 | 77.8 | -60.7 | 165.2 | 0 | 0 | 0 | 112 | | |
| 122 | E | 35.1 | Very low | 36.2 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | | -148.2 | 156.1 | 86.4 | -94.5 | -152.8 | 136.2 | 0 | 0 | 117.8 | | |
| 123 | N | 35 | Very low | 35.9 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | | | trans | 64.8 | 96.6 | 143.5 | -68.1 | -33.3 | 0 | 0 | 0 | 122.4 | | |
| 124 | I | 29.4 | Very low | 35.8 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | trans | -102.2 | 129.4 | 152.4 | -58.9 | 166.4 | 0 | 0 | 0 | 109.3 | A126 | I124-A126 HydrophobicContact CG2-CB 4.22Š|
| 125 | P | 37.9 | Very low | 36.7 | Very low | 116 Ų | 116 | 141.1 Ų | 141.1 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | | | trans | -106.4 | 114.1 | 160.6 | 33 | -25.5 | 0 | 0 | 0 | 111.5 | | |
| 126 | A | 33.9 | Very low | 36.8 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | | | trans | -110.2 | 94.8 | -171 | 0 | 0 | 0 | 0 | 0 | 114.5 | I124 | I124-A126 HydrophobicContact CG2-CB 4.22Š|
| 127 | K | 37.9 | Very low | 37.1 | Very low | 219 Ų | 219 | 144.3 Ų | 144.3 | 95% | 0.952 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -139.5 | -0.3 | 151.4 | -80.4 | -163.4 | 177.2 | -178.6 | 0 | 113.7 | | |
| 128 | A | 51.9 | Low | 36.9 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -108.8 | 135.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K130 | A128-K130 PolarHBondContact O-N 3.32Å; A128-K130 VanDerWaalsContact O-N 3.16Å |
| 129 | K | 36.5 | Very low | 36.9 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -72 | 106.4 | 175.7 | -63.9 | 176.6 | -178.4 | 177.7 | 0 | 107.6 | Y131 | K129-Y131 WeakPolarHBondContact O-CD2 3.18Å; K129-Y131 PolarHBondContact O-N 2.64Å |
| 130 | K | 40 | Very low | 36.1 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 79% | 0.787 | 77% | 0.769 | S | S | * | * | | | trans | -62.5 | 120.2 | -166.8 | -66 | -171.7 | 175.4 | -171.3 | 0 | 111.5 | A128 | A128-K130 PolarHBondContact O-N 3.32Å; A128-K130 VanDerWaalsContact O-N 3.16Å |
| 131 | Y | 35.6 | Very low | 35.9 | Very low | 205 Ų | 205 | 154.8 Ų | 154.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -115.2 | 156.3 | 178.1 | -97.9 | -81 | 0 | 0 | 0 | 110.4 | K129 | K129-Y131 WeakPolarHBondContact O-CD2 3.18Å; K129-Y131 PolarHBondContact O-N 2.64Å |
| 132 | Q | 35.9 | Very low | 36 | Very low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | 68 | 144.6 | 153.9 | -77.2 | 176.2 | -36.8 | 0 | 0 | 117.5 | | |
| 133 | A | 30.5 | Very low | 35.8 | Very low | 73 Ų | 73 | 152.3 Ų | 152.3 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | | | cis | -158.6 | 166.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 134 | L | 33.6 | Very low | 35.9 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 69% | 0.686 | 76% | 0.764 | S | S | * | * | | | trans | 65.1 | 143.5 | 158 | -66.8 | 152.8 | 0 | 0 | 0 | 115.3 | | |
| 135 | E | 44.5 | Very low | 36.2 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | | | cis | -126.5 | 142.3 | 2.3 | -109 | 148.5 | -178.3 | 0 | 0 | 107.5 | | |
| 136 | E | 34.3 | Very low | 36 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | cis | 58.2 | 88.5 | 39.2 | -53.8 | -167.1 | 165.2 | 0 | 0 | 110.9 | | |
| 137 | L | 41.4 | Very low | 35.9 | Very low | 157 Ų | 157 | 159.8 Ų | 159.8 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | | | | 177.5 | 149.9 | 97.6 | -84.1 | 147.8 | 0 | 0 | 0 | 106.9 | | |
| 138 | E | 39.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 153.7 Ų | 153.7 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | S | Bend | cis | -127.8 | 132.9 | 4.2 | -61.6 | -177.6 | 117.1 | 0 | 0 | 111.2 | | |
| 139 | K | 27.4 | Very low | 34.9 | Very low | 216 Ų | 216 | 157.8 Ų | 157.8 | 94% | 0.939 | 75% | 0.75 | S | S | * | * | | | trans | -138.9 | 39.3 | 162.1 | -95.2 | -164.7 | 176.8 | -177.9 | 0 | 111.8 | | |
| 140 | I | 31.6 | Very low | 34.5 | Very low | 153 Ų | 153 | 152.8 Ų | 152.8 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | | | trans | -133.9 | 75.6 | 179 | -45.6 | -176.5 | 0 | 0 | 0 | 111.6 | | |
| 141 | R | 33.1 | Very low | 34.4 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 73% | 0.725 | 74% | 0.744 | S | S | * | * | | | trans | -166.2 | 91.9 | 150.3 | -116.6 | 169.7 | 173.4 | -123.4 | -16.3 | 112.7 | E144 | R141-E144 IonicContact CZ-OE1 3.87Å; R141-E144 IonicContact CZ-OE2 2.68Å; R141-E144 IonicContact NH1-OE1 3.61Å; R141-E144 PolarHBondContact NH1-OE1 2.7Å; R141-E144 IonicContact NH1-OE2 2.66Å; R141-E144 PolarHBondContact NH1-OE2 3.24Å; R141-E144 IonicContact NH2-OE1 2.71Å; R141-E144 PolarHBondContact NH2-OE1 3.49Å; R141-E144 IonicContact NH2-OE2 3.66Å |
| 142 | P | 30.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -84.8 | 154.7 | 153.5 | 34.2 | -30.5 | 0 | 0 | 0 | 110.6 | | |
| 143 | N | 30.8 | Very low | 34.6 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | trans | 69.9 | 53.6 | 162.1 | -54.5 | -9.4 | 0 | 0 | 0 | 118.1 | | |
| 144 | E | 36.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 59% | 0.593 | 75% | 0.748 | S | S | * | * | | | trans | -111.5 | 142.4 | 138.2 | -77.3 | 177.8 | 172.1 | 0 | 0 | 107.2 | R141 | R141-E144 IonicContact CZ-OE1 3.87Å; R141-E144 IonicContact CZ-OE2 2.68Å; R141-E144 IonicContact NH1-OE1 3.61Å; R141-E144 PolarHBondContact NH1-OE1 2.7Å; R141-E144 IonicContact NH1-OE2 2.66Å; R141-E144 PolarHBondContact NH1-OE2 3.24Å; R141-E144 IonicContact NH2-OE1 2.71Å; R141-E144 PolarHBondContact NH2-OE1 3.49Å; R141-E144 IonicContact NH2-OE2 3.66Å |
| 145 | L | 37.2 | Very low | 34.7 | Very low | 153 Ų | 153 | 152 Ų | 152 | 80% | 0.801 | 75% | 0.752 | S | S | * | * | | | cis | -156.3 | 156.9 | -17 | -135.1 | 163.4 | 0 | 0 | 0 | 106.4 | R147 | L145-R147 PolarHBondContact O-N 3.48Š|
| 146 | H | 32.8 | Very low | 34.3 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | trans | -68.3 | 134.4 | 169.9 | -90.3 | -104 | 0 | 0 | 0 | 110.7 | | |
| 147 | R | 33.1 | Very low | 34.3 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 61% | 0.611 | 76% | 0.756 | S | S | * | * | | | trans | 23 | 121.1 | 134.2 | -92.2 | -169.6 | -176 | -174.6 | 0.9 | 118.2 | L145 | L145-R147 PolarHBondContact O-N 3.48Š|
| 148 | D | 31.5 | Very low | 34.3 | Very low | 91 Ų | 91 | 149.6 Ų | 149.6 | 49% | 0.487 | 75% | 0.747 | S | S | . | * | | | trans | 67.6 | 122 | 149.9 | -52.3 | -79.6 | 0 | 0 | 0 | 115.8 | R1538 | D148-R1538 IonicContact OD1-CZ 3.11Å; D148-R1538 IonicContact OD1-NH1 2.78Å; D148-R1538 PolarHBondContact OD1-NH1 3.09Å; D148-R1538 IonicContact OD1-NH2 2.7Å; D148-R1538 PolarHBondContact OD1-NH2 2.76Å; D148-R1538 IonicContact OD2-CZ 3.07Å; D148-R1538 IonicContact OD2-NE 3.81Å; D148-R1538 IonicContact OD2-NH1 3.38Å; D148-R1538 PolarHBondContact OD2-NH1 2.85Å; D148-R1538 IonicContact OD2-NH2 2.64Å; D148-R1538 PolarHBondContact OD2-NH2 2.69Å |
| 149 | E | 36.5 | Very low | 33.8 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 78% | 0.78 | 75% | 0.749 | S | S | * | * | | | | -144.7 | 138.9 | 67 | -89.5 | 164.5 | 177.1 | 0 | 0 | 111 | | |
| 150 | A | 28 | Very low | 33.7 | Very low | 89 Ų | 89 | 143.9 Ų | 143.9 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | | | | 67.9 | 126.1 | 76.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 151 | V | 37.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | -178.5 | 134.2 | 137 | 143.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 152 | N | 38.8 | Very low | 33.4 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 63.9 | 128.3 | 176.4 | -67.1 | -38 | 0 | 0 | 0 | 116.5 | | |
| 153 | R | 36.5 | Very low | 33.3 | Very low | 234 Ų | 234 | 142.4 Ų | 142.4 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | cis | -133.7 | 163.6 | 5.7 | -105.2 | 170.2 | 179.2 | 172.1 | -0.9 | 111.5 | | |
| 154 | P | 37.4 | Very low | 33.3 | Very low | 103 Ų | 103 | 139.2 Ų | 139.2 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | | | trans | -104.3 | 167.5 | -145.6 | 40.4 | -39.2 | 0 | 0 | 0 | 115.8 | | |
| 155 | N | 29.9 | Very low | 33 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | | | trans | 40.5 | 117.7 | 139.9 | -60.8 | -0.4 | 0 | 0 | 0 | 119.2 | P157 | N155-P157 WeakPolarHBondContact O-CD 2.99Š|
| 156 | F | 36.4 | Very low | 32.9 | Very low | 187 Ų | 187 | 139.8 Ų | 139.8 | 82% | 0.82 | 73% | 0.733 | S | S | * | * | | | trans | -40.3 | 140 | 136.8 | -92.6 | -108.7 | 0 | 0 | 0 | 110.5 | L158 | F156-L158 HydrophobicContact CD1-CG 4.24Å; F156-L158 HydrophobicContact CE1-CG 4.42Å |
| 157 | P | 34.3 | Very low | 33 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 72% | 0.72 | S | S | * | * | | | | -118.1 | 133.3 | 113.1 | 33.8 | -33.1 | 0 | 0 | 0 | 111 | N155 | N155-P157 WeakPolarHBondContact O-CD 2.99Š|
| 158 | L | 40.3 | Very low | 32.7 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | | | trans | -64.6 | 176.5 | 146.6 | -87 | 166.4 | 0 | 0 | 0 | 108.7 | F156 | F156-L158 HydrophobicContact CD1-CG 4.24Å; F156-L158 HydrophobicContact CE1-CG 4.42Å |
| 159 | F | 28.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 135 Ų | 135 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | | | trans | 71 | 157 | -174.9 | -30.1 | -66.6 | 0 | 0 | 0 | 112.1 | | |
| 160 | A | 26.2 | Very low | 32.4 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | cis | -148.1 | 168.1 | 12.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 161 | K | 31.7 | Very low | 32.7 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 81% | 0.809 | 74% | 0.744 | S | S | * | * | | | trans | 76.1 | 121.6 | 166.3 | -59.1 | 155.1 | -173.7 | -179.9 | 0 | 112.8 | | |
| 162 | S | 27.2 | Very low | 32.3 | Very low | 84 Ų | 84 | 142.9 Ų | 142.9 | 59% | 0.587 | 74% | 0.743 | S | S | * | * | | | cis | 65.4 | 139.6 | 49.2 | 86.6 | 0 | 0 | 0 | 0 | 112 | | |
| 163 | D | 27.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | | | trans | 69.2 | 137.3 | 174.7 | -40.8 | -61.8 | 0 | 0 | 0 | 112.6 | | |
| 164 | S | 30.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 138.8 Ų | 138.8 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | | | cis | -155.5 | 164 | 9.1 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 165 | T | 31 | Very low | 32.7 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | | | trans | 30.8 | 134.8 | 143.2 | 56.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 166 | M | 35.8 | Very low | 33.2 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 89% | 0.892 | 73% | 0.733 | S | S | * | * | | | trans | 69.7 | 159.7 | 144.7 | -68.4 | 172.3 | 72.1 | 0 | 0 | 117.1 | | |
| 167 | A | 33.7 | Very low | 33.4 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 54% | 0.537 | 73% | 0.729 | S | S | . | * | | | cis | -166.9 | 170.7 | -30.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 168 | Q | 27.2 | Very low | 33.3 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | | | trans | 7.9 | 131.8 | 137.7 | -56.4 | 157.5 | -0.3 | 0 | 0 | 116.4 | | |
| 169 | A | 33.4 | Very low | 33.1 | Very low | 80 Ų | 80 | 144.1 Ų | 144.1 | 66% | 0.661 | 74% | 0.742 | S | S | * | * | | | cis | -110.3 | 155.8 | 24.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y171 | A169-Y171 HydrophobicContact CB-CD2 4.01Å; A169-Y171 HydrophobicContact CB-CE2 4.28Å |
| 170 | K | 28 | Very low | 33.8 | Very low | 182 Ų | 182 | 142 Ų | 142 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | cis | 71.8 | 43.3 | 17.1 | -137.6 | -165.3 | -173.8 | -157.7 | 0 | 116.5 | | |
| 171 | Y | 36.1 | Very low | 34.4 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | -122.3 | 123.2 | 140.3 | -72.4 | -78.6 | 0 | 0 | 0 | 105.6 | A169 | A169-Y171 HydrophobicContact CB-CD2 4.01Å; A169-Y171 HydrophobicContact CB-CE2 4.28Å |
| 172 | E | 28.9 | Very low | 34.8 | Very low | 161 Ų | 161 | 142 Ų | 142 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | | | cis | 66 | 100.9 | 36.1 | -161.2 | 176.9 | -101.2 | 0 | 0 | 112.5 | | |
| 173 | V | 37.5 | Very low | 35.4 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | | | trans | 169.7 | 113 | 136.1 | 151.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 174 | K | 40.3 | Very low | 35.8 | Very low | 179 Ų | 179 | 146 Ų | 146 | 78% | 0.778 | 73% | 0.73 | S | S | * | * | | | trans | 58.3 | 146.6 | 158.7 | -60.7 | 167.5 | -165.4 | 175.7 | 0 | 117.4 | | |
| 175 | E | 41.6 | Very low | 35.9 | Very low | 160 Ų | 160 | 148 Ų | 148 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | cis | -135.9 | 133.7 | 2.1 | -114.5 | 137.9 | -142.9 | 0 | 0 | 105.6 | | |
| 176 | E | 40.1 | Very low | 36.1 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 74% | 0.741 | S | S | * | * | | | | 48.7 | 110.6 | 71.4 | -127.5 | -158.2 | 129.5 | 0 | 0 | 114.3 | | |
| 177 | K | 42.2 | Very low | 36.1 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | | | trans | 66.7 | 66.7 | 165.2 | -53 | 177.4 | 177 | 105.7 | 0 | 118.9 | | |
| 178 | Q | 31.3 | Very low | 36.1 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | | | trans | -145.9 | 107.8 | 140 | -79.9 | -157.6 | -8.2 | 0 | 0 | 112.6 | | |
| 179 | P | 37.1 | Very low | 36.5 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -127.7 | 18.3 | 146.4 | 39.3 | -28.8 | 0 | 0 | 0 | 112 | | |
| 180 | E | 42.5 | Very low | 36.5 | Very low | 150 Ų | 150 | 151.1 Ų | 151.1 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | | | trans | -160 | 162 | -170 | 86.3 | -176.7 | -0.2 | 0 | 0 | 108.5 | | |
| 181 | L | 39 | Very low | 37.1 | Very low | 135 Ų | 135 | 148 Ų | 148 | 71% | 0.707 | 74% | 0.741 | S | S | * | * | | | cis | -161.8 | 152.9 | -17.2 | -153.5 | 66.4 | 0 | 0 | 0 | 108.4 | | |
| 182 | E | 40.6 | Very low | 37.1 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | | | trans | 68.1 | 153.9 | 165.4 | -45.4 | -156.6 | 129.7 | 0 | 0 | 119.2 | | |
| 183 | R | 39.3 | Very low | 37.1 | Very low | 183 Ų | 183 | 145.9 Ų | 145.9 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | trans | 38.6 | 142.8 | 132.3 | -65.8 | 177.2 | -167.5 | 120.4 | 18.6 | 120.7 | | |
| 184 | D | 36.1 | Very low | 37.2 | Very low | 132 Ų | 132 | 150.2 Ų | 150.2 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -159 | 131 | -0.9 | -101.8 | -33.8 | 0 | 0 | 0 | 109.8 | | |
| 185 | V | 32.4 | Very low | 36.9 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 84% | 0.842 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -140.5 | 102.4 | 154 | -173.3 | 0 | 0 | 0 | 0 | 110.1 | Q187 | V185-Q187 PolarHBondContact O-N 3.15Å; V185-Q187 VanDerWaalsContact O-N 3.12Å |
| 186 | A | 34.6 | Very low | 36.6 | Very low | 89 Ų | 89 | 147 Ų | 147 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | | | trans | 53.4 | 34.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | R188 | A186-R188 PolarHBondContact O-N 3.47Š|
| 187 | Q | 35.7 | Very low | 36.4 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | | | trans | -70.1 | 79.8 | 157.6 | -83.9 | -158.6 | -6.9 | 0 | 0 | 111.1 | V185 | V185-Q187 PolarHBondContact O-N 3.15Å; V185-Q187 VanDerWaalsContact O-N 3.12Å |
| 188 | R | 34.2 | Very low | 36 | Very low | 227 Ų | 227 | 147 Ų | 147 | 86% | 0.857 | 75% | 0.747 | S | S | * | * | | | trans | -59.1 | 144.3 | 155.7 | -73.1 | -180 | 169.5 | 179.8 | -3.5 | 108.9 | A186 | A186-R188 PolarHBondContact O-N 3.47Š|
| 189 | S | 35 | Very low | 36.1 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | | | trans | 49.7 | 71.6 | 166.8 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | P191 | S189-P191 WeakPolarHBondContact O-CD 3.35Š|
| 190 | T | 34.8 | Very low | 36.4 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 55% | 0.552 | 74% | 0.735 | S | S | * | * | | | trans | -88.9 | 103.1 | 150.2 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | K192 | T190-K192 PolarHBondContact O-N 3.32Å; T190-K192 VanDerWaalsContact O-N 3.1Å |
| 191 | P | 39.3 | Very low | 36 | Very low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | | | trans | -69.7 | 107.5 | 171.1 | 28 | -32.8 | 0 | 0 | 0 | 109.4 | S189 V193 | S189-P191 WeakPolarHBondContact O-CD 3.35Å; P191-V193 PolarHBondContact O-N 3.02Å |
| 192 | K | 36.3 | Very low | 35.8 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -70.3 | 98.7 | 174.6 | -77 | 177.9 | 179.7 | 168.5 | 0 | 110.7 | T190 | T190-K192 PolarHBondContact O-N 3.32Å; T190-K192 VanDerWaalsContact O-N 3.1Å |
| 193 | V | 30.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 149.4 Ų | 149.4 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | | | trans | -89.3 | 97.9 | 151.2 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | P191 | P191-V193 PolarHBondContact O-N 3.02Š|
| 194 | R | 37.7 | Very low | 35.6 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 77% | 0.774 | 76% | 0.758 | S | S | * | * | | | trans | -120.8 | 119.4 | 167.7 | -87.4 | -163.9 | 172.1 | 177.7 | -1.8 | 107.4 | | |
| 195 | I | 35 | Very low | 35.6 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 64% | 0.641 | 75% | 0.753 | S | S | * | * | | | | 66.7 | 105.3 | 86.2 | -69.5 | 176.1 | 0 | 0 | 0 | 110.7 | | |
| 196 | N | 35.2 | Very low | 35.9 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | 58.9 | 167.1 | 141.3 | -58.9 | 5.9 | 0 | 0 | 0 | 117.9 | | |
| 197 | S | 36.2 | Very low | 35.8 | Very low | 93 Ų | 93 | 151.5 Ų | 151.5 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | cis | -163.7 | 150.5 | -31.5 | 48.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 198 | W | 33.3 | Very low | 35.7 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 85% | 0.852 | 75% | 0.75 | S | S | * | * | | | trans | 25.7 | 97.4 | 147.8 | -76 | 72.4 | 0 | 0 | 0 | 119.2 | | |
| 199 | Q | 34.7 | Very low | 35.8 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | 62.8 | -176 | 140.9 | -62.1 | -168.4 | -14.4 | 0 | 0 | 116.6 | | |
| 200 | P | 42.4 | Very low | 35.7 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | | | | -129.1 | 152.5 | -66.2 | 35.8 | -23.8 | 0 | 0 | 0 | 113.3 | | |
| 201 | R | 33.8 | Very low | 35.8 | Very low | 238 Ų | 238 | 149 Ų | 149 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | | | | 174.2 | 138.7 | 126.5 | -93.2 | 151.3 | -166.7 | -149.1 | 2.7 | 111 | | |
| 202 | L | 34.8 | Very low | 35.7 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | | | trans | -67.3 | 156.2 | 162 | -68.8 | 162.8 | 0 | 0 | 0 | 109.3 | V204 | L202-V204 HydrophobicContact CD1-CG2 4.31Å; L202-V204 HydrophobicContact CD2-CG2 4.23Å |
| 203 | P | 39.4 | Very low | 35.8 | Very low | 120 Ų | 120 | 151.3 Ų | 151.3 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | | -123.5 | 117.6 | 109.5 | 33.4 | -30.5 | 0 | 0 | 0 | 112.7 | | |
| 204 | V | 37.1 | Very low | 36 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 72% | 0.715 | 72% | 0.724 | S | S | * | * | | | trans | -76.1 | 137.2 | 152.3 | 178.2 | 0 | 0 | 0 | 0 | 107.4 | L202 | L202-V204 HydrophobicContact CD1-CG2 4.31Å; L202-V204 HydrophobicContact CD2-CG2 4.23Å |
| 205 | P | 35 | Very low | 36 | Very low | 92 Ų | 92 | 145.8 Ų | 145.8 | 60% | 0.597 | 72% | 0.723 | S | S | * | * | | | trans | -136.7 | 149 | 144.1 | 36.9 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 206 | I | 39.7 | Very low | 36.1 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 72% | 0.718 | 72% | 0.723 | S | S | * | * | | | trans | 60.9 | 101.6 | 154.5 | -56.2 | 156.2 | 0 | 0 | 0 | 114.4 | N208 | I206-N208 HydrophobicContact CG2-CB 4.31Š|
| 207 | R | 31 | Very low | 36.1 | Very low | 236 Ų | 236 | 144.1 Ų | 144.1 | 89% | 0.891 | 72% | 0.724 | S | S | * | * | | | cis | 57.2 | 76.8 | 27.5 | -166.1 | -160.7 | -174.7 | 175.3 | 5.6 | 114.1 | | |
| 208 | N | 34.3 | Very low | 36.1 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | | | trans | -177.3 | 153.3 | 157.5 | -90.8 | -23.8 | 0 | 0 | 0 | 107.6 | I206 | I206-N208 HydrophobicContact CG2-CB 4.31Š|
| 209 | Q | 36.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 144.4 Ų | 144.4 | 56% | 0.561 | 73% | 0.731 | S | S | * | * | | | cis | -162.2 | 142.5 | -0.6 | -124.5 | 172.3 | 75.7 | 0 | 0 | 110 | | |
| 210 | K | 33.3 | Very low | 36.3 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 74% | 0.735 | 73% | 0.733 | S | S | * | * | | | trans | 63.7 | 174.5 | 151.5 | -63.6 | 163 | 177.1 | 166.2 | 0 | 115.8 | | |
| 211 | L | 37.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | | | cis | -149 | 146.9 | -5.4 | -154.5 | 70.2 | 0 | 0 | 0 | 109.7 | | |
| 212 | M | 36.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 69% | 0.69 | 74% | 0.742 | S | S | * | * | | | trans | 64.6 | 145 | 163.4 | -56 | -131.8 | -168.4 | 0 | 0 | 117 | | |
| 213 | R | 37 | Very low | 36.2 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | | | cis | -146.3 | 139.6 | 1.9 | -115.9 | 156.5 | -167.2 | -171.2 | 2.3 | 109.6 | | |
| 214 | S | 35.5 | Very low | 35.7 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 62% | 0.615 | 73% | 0.734 | S | S | * | * | | | trans | 15.1 | 145.3 | 131.9 | 62.9 | 0 | 0 | 0 | 0 | 119.8 | | |
| 215 | N | 37.2 | Very low | 35.4 | Very low | 140 Ų | 140 | 146.1 Ų | 146.1 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | cis | -167.2 | 157.6 | 18.2 | -130.5 | 10.6 | 0 | 0 | 0 | 114.7 | | |
| 216 | T | 38.5 | Very low | 35.5 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | trans | 42.6 | 119.2 | 144.7 | 52 | 0 | 0 | 0 | 0 | 121.4 | | |
| 217 | V | 35 | Very low | 35.5 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | | 68.8 | 123.3 | 89.9 | 171.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 218 | V | 35.6 | Very low | 35.6 | Very low | 139 Ų | 139 | 143.8 Ų | 143.8 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | | -132.9 | 163.7 | 66.1 | 178.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 219 | K | 33.7 | Very low | 35.7 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 73% | 0.733 | S | S | * | * | | | trans | -83.1 | 162.4 | -179.5 | -65.5 | 177.4 | 180 | 177.5 | 0 | 114 | | |
| 220 | P | 37.4 | Very low | 35.5 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | -74.6 | 159.9 | 161.1 | 34.2 | -36.7 | 0 | 0 | 0 | 112.1 | | |
| 221 | Q | 33.5 | Very low | 35.4 | Very low | 196 Ų | 196 | 145.5 Ų | 145.5 | 92% | 0.916 | 74% | 0.742 | S | S | * | * | | | trans | -147.4 | 155.5 | 167.4 | -164.5 | 158.7 | -7 | 0 | 0 | 112.6 | | |
| 222 | Q | 33.2 | Very low | 35.3 | Very low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | | | trans | -140.8 | 175.4 | -174.3 | -144.9 | -167.6 | -12.6 | 0 | 0 | 107.1 | | |
| 223 | P | 42.4 | Very low | 35.4 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 58% | 0.578 | 75% | 0.746 | S | S | * | * | | | | -123.2 | 178.2 | -82.7 | 41.8 | -30.4 | 0 | 0 | 0 | 115 | | |
| 224 | F | 29.2 | Very low | 35.2 | Very low | 188 Ų | 188 | 140.1 Ų | 140.1 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | | | trans | 72.7 | 148.7 | 156.4 | -78.4 | -67.9 | 0 | 0 | 0 | 121.6 | | |
| 225 | H | 32.3 | Very low | 35.3 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 70% | 0.704 | 70% | 0.704 | S | S | * | * | | | trans | 75.3 | 87.3 | 162.3 | -72.4 | -58.7 | 0 | 0 | 0 | 121.5 | | |
| 226 | D | 35.6 | Very low | 35.2 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | | | | -101.2 | 145.5 | 116.8 | -72.6 | -54.5 | 0 | 0 | 0 | 106.6 | | |
| 227 | Q | 39.3 | Very low | 35.2 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 66% | 0.659 | 68% | 0.684 | S | S | * | * | | | cis | 70.7 | 137 | 27 | -52.9 | -151.5 | 30.5 | 0 | 0 | 113 | | |
| 228 | Q | 34.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 57% | 0.565 | 69% | 0.687 | S | S | * | * | | | cis | -158.9 | 162.8 | 9.6 | -137.5 | 175.9 | 72.9 | 0 | 0 | 109.5 | | |
| 229 | R | 35.5 | Very low | 35.3 | Very low | 209 Ų | 209 | 132.1 Ų | 132.1 | 79% | 0.789 | 68% | 0.678 | S | S | * | * | | | trans | 68.1 | 167.3 | 160.9 | -59.1 | 167.2 | -162.3 | -125.5 | -3.5 | 117.9 | | |
| 230 | I | 32 | Very low | 35.5 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 82% | 0.815 | 68% | 0.683 | S | S | * | * | | | | -173.2 | 157.6 | -56.7 | -102.4 | 160.7 | 0 | 0 | 0 | 108.2 | | |
| 231 | A | 32.9 | Very low | 35.4 | Very low | 81 Ų | 81 | 130.9 Ų | 130.9 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | | | trans | 80.8 | 110.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 232 | L | 35.4 | Very low | 35.4 | Very low | 156 Ų | 156 | 127.2 Ų | 127.2 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | | | | 37.8 | 139.9 | 117.8 | -55.7 | 170.7 | 0 | 0 | 0 | 123.1 | | |
| 233 | Y | 38.5 | Very low | 35.2 | Very low | 163 Ų | 163 | 125.5 Ų | 125.5 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | | | | -170.6 | -153.8 | 102.9 | -129.1 | -94.4 | 0 | 0 | 0 | 116.1 | P617 S618 | Y233-P617 CarbonylContact O-C 3.33Å; Y233-P617 WeakPolarHBondContact O-CA 3Å; Y233-P617 VanDerWaalsContact O-CB 3.3Å; Y233-P617 WeakPolarHBondContact O-CB 3.16Å; Y233-S618 PolarHBondContact O-N 2.67Å |
| 234 | S | 32.3 | Very low | 34.7 | Very low | 43 Ų | 43 | 126.2 Ų | 126.2 | 30% | 0.301 | 68% | 0.684 | S | S | . | * | | | trans | -144.9 | 134.6 | -172.4 | -65.2 | 0 | 0 | 0 | 0 | 114.3 | P617 S618 Q619 A948 | S234-P617 CarbonylContact C-O 3.52Å; S234-P617 VanDerWaalsContact C-O 3.3Å; S234-P617 WeakPolarHBondContact CA-O 3.31Å; S234-S618 CarbonylContact C-O 3.15Å; S234-S618 VanDerWaalsContact C-O 3.3Å; S234-S618 CarbonylContact O-C 3.28Å; S234-S618 VanDerWaalsContact O-C 3.23Å; S234-Q619 VanDerWaalsContact C-N 3.31Å; S234-Q619 CarbonylContact C-O 3.56Å; S234-Q619 CarbonylContact O-C 3.52Å; S234-Q619 WeakPolarHBondContact O-CA 3.22Å; S234-Q619 PolarHBondContact O-N 3.03Å; S234-A948 WeakPolarHBondContact O-CB 3.32Å |
| 235 | G | 36.7 | Very low | 34.9 | Very low | 20 Ų | 20 | 125.5 Ų | 125.5 | 21% | 0.206 | 68% | 0.684 | C | S | . | * | | | trans | 167.5 | 122.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | P617 S618 Q619 S946 G947 A948 | G235-P617 PolarHBondContact N-O 3.39Å; G235-S618 CarbonylContact C-O 3.23Å; G235-S618 WeakPolarHBondContact CA-O 3.47Å; G235-S618 PolarHBondContact N-O 2.99Å; G235-S618 VanDerWaalsContact O-O 3.13Å; G235-Q619 WeakPolarHBondContact CA-O 3.39Å; G235-S946 CarbonylContact O-C 3.16Å; G235-S946 WeakPolarHBondContact O-CA 3.38Å; G235-S946 WeakPolarHBondContact O-CB 3.35Å; G235-G947 VanDerWaalsContact C-C 3.44Å; G235-G947 CarbonylContact C-O 3.3Å; G235-G947 VanDerWaalsContact CA-O 3.23Å; G235-G947 WeakPolarHBondContact CA-O 3.5Å; G235-G947 PolarHBondContact O-N 3.27Å; G235-A948 VanDerWaalsContact N-CB 3.32Å; G235-A948 VanDerWaalsContact N-N 3.14Å |
| 236 | S | 35.4 | Very low | 34.8 | Very low | 74 Ų | 74 | 123.8 Ų | 123.8 | 52% | 0.517 | 68% | 0.684 | S | S | . | * | | | trans | -120.5 | 175.9 | -154.5 | 61.9 | 0 | 0 | 0 | 0 | 121.8 | S946 G947 | S236-S946 VanDerWaalsContact CA-C 3.42Å; S236-S946 VanDerWaalsContact CA-O 3.25Å; S236-S946 WeakPolarHBondContact CA-O 3.2Å; S236-S946 WeakPolarHBondContact CB-O 3.13Å; S236-G947 WeakPolarHBondContact CA-O 3.48Å; S236-G947 WeakPolarHBondContact CB-O 3.03Å; S236-G947 PolarHBondContact N-O 2.91Å; S236-G947 PolarHBondContact OG-O 3.34Å |
| 237 | S | 38.1 | Very low | 34.8 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 46% | 0.455 | 69% | 0.688 | S | S | . | * | | | trans | -73.8 | 135.7 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 117.3 | R615 | S237-R615 PolarHBondContact OG-NH1 3.23Å; S237-R615 VanDerWaalsContact OG-NH1 3.09Å |
| 238 | Q | 38.5 | Very low | 34.4 | Very low | 186 Ų | 186 | 126.3 Ų | 126.3 | 87% | 0.869 | 69% | 0.692 | S | S | * | * | | | trans | -153.9 | 163.8 | 161 | -84.3 | -158.1 | 6.3 | 0 | 0 | 108.7 | | |
| 239 | S | 36.2 | Very low | 34.4 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | | | cis | -167.2 | 160.6 | -23.5 | 59 | 0 | 0 | 0 | 0 | 110.2 | | |
| 240 | K | 36.3 | Very low | 34.4 | Very low | 211 Ų | 211 | 122.9 Ų | 122.9 | 92% | 0.917 | 70% | 0.699 | S | S | * | * | | | trans | 160.8 | 123.6 | 159.1 | -93.1 | 164.7 | -175.4 | -178.4 | 0 | 105.2 | | |
| 241 | G | 35.1 | Very low | 34.6 | Very low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | | | cis | 115.7 | 136.4 | 23 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 242 | S | 35.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | | | cis | -164 | 168.3 | -0.6 | 45.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 243 | V | 27.7 | Very low | 34.7 | Very low | 136 Ų | 136 | 123.5 Ų | 123.5 | 82% | 0.824 | 70% | 0.696 | S | S | * | * | | | trans | -150.2 | 147.7 | -175.2 | -99.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 244 | S | 31.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | | | cis | -145.6 | -169.9 | 0.6 | -73.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 245 | Q | 33.2 | Very low | 34.7 | Very low | 174 Ų | 174 | 126 Ų | 126 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | | | trans | 179.1 | 124.9 | 130.4 | -99.3 | -177.7 | 0.9 | 0 | 0 | 116.8 | | |
| 246 | T | 30.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 66.2 | 152.5 | 138.9 | 67.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 247 | R | 36.2 | Very low | 34.3 | Very low | 244 Ų | 244 | 130.4 Ų | 130.4 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | | | trans | 69.5 | 156.8 | 169.3 | -56.6 | 179 | 178.2 | -172.3 | -1.4 | 115.9 | | |
| 248 | S | 31.2 | Very low | 34 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | 178.7 | 135.8 | -34.7 | -178.4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 249 | A | 33.8 | Very low | 33.7 | Very low | 95 Ų | 95 | 132.2 Ų | 132.2 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | 61 | 173 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 250 | K | 36.6 | Very low | 33.6 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | | | cis | -174.2 | 134.1 | -42 | -177.9 | 174.2 | -176.5 | 179.9 | 0 | 107.6 | | |
| 251 | N | 36.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | 156.1 | 121.9 | 158.3 | -83.8 | -6 | 0 | 0 | 0 | 107.9 | | |
| 252 | M | 31.3 | Very low | 33.4 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 58% | 0.581 | 77% | 0.772 | S | S | * | * | | | cis | 81.7 | 90.3 | 10.2 | -145.7 | -170.9 | 90.6 | 0 | 0 | 116 | D254 | M252-D254 HydrophobicContact CG-CB 4.44Š|
| 253 | V | 38 | Very low | 33.3 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | | | trans | -148.3 | 108.4 | 149.2 | -178.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 254 | D | 34.9 | Very low | 33.5 | Very low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 76% | 0.763 | S | S | * | * | | | cis | 91.4 | 149.4 | 17.3 | -149.5 | 5 | 0 | 0 | 0 | 115.3 | M252 | M252-D254 HydrophobicContact CG-CB 4.44Š|
| 255 | I | 36.2 | Very low | 33.9 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | trans | 70.8 | 116.7 | -178.5 | -48 | 164.3 | 0 | 0 | 0 | 114.4 | | |
| 256 | A | 29.6 | Very low | 34.2 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | cis | 89.8 | 99.5 | 5.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 257 | A | 34.3 | Very low | 34.5 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | | | trans | -167.5 | 125.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 258 | N | 31 | Very low | 34.5 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | | 76.8 | 91 | 56.7 | -77 | -11.1 | 0 | 0 | 0 | 115 | | |
| 259 | S | 32.1 | Very low | 34.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 88% | 0.881 | 76% | 0.755 | S | S | * | * | | | trans | -164.7 | 122.7 | 153.9 | -78.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 260 | P | 35.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | | | trans | -116.7 | 175.8 | -172.9 | 41 | -33.8 | 0 | 0 | 0 | 116.1 | | |
| 261 | S | 30.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | trans | 102.2 | 148 | 159 | 77.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 262 | F | 35.3 | Very low | 34.9 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | | | trans | 76.3 | 117.8 | 172.5 | -69.6 | -76.6 | 0 | 0 | 0 | 120.7 | | |
| 263 | F | 34.4 | Very low | 35 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 79% | 0.789 | 77% | 0.772 | S | S | * | * | | | trans | 57 | 134.7 | 160.6 | -74.1 | -98.4 | 0 | 0 | 0 | 118.9 | | |
| 264 | T | 32.3 | Very low | 34.7 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | | | cis | -162.8 | 163.3 | -14.6 | 2.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 265 | S | 38.6 | Very low | 34.6 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 64.9 | 126.7 | 172.7 | 68.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 266 | E | 39.3 | Very low | 34.6 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | cis | -150.8 | 119.9 | -18.8 | -155.3 | 160.6 | -152 | 0 | 0 | 111.3 | | |
| 267 | R | 37.1 | Very low | 34.7 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | 28.7 | 131.4 | 158.6 | -69.1 | -172.8 | 158.3 | 147.2 | -4.9 | 120.8 | | |
| 268 | E | 37.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 67% | 0.668 | 78% | 0.781 | S | S | * | * | | | | 59.5 | 147.7 | 56.3 | -58.2 | 179.2 | 132 | 0 | 0 | 113.3 | | |
| 269 | Q | 38.5 | Very low | 34.8 | Very low | 148 Ų | 148 | 150.2 Ų | 150.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | cis | -155.6 | 166.2 | -12.6 | -117.5 | 161.8 | -6.6 | 0 | 0 | 107 | | |
| 270 | K | 40.4 | Very low | 34.5 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | | | trans | -93.6 | 132.8 | 154 | -71.9 | 178.7 | 179.7 | 174.3 | 0 | 107.2 | | |
| 271 | D | 36.9 | Very low | 34.8 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -149.8 | 165.6 | 164 | -138.4 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 272 | M | 30.6 | Very low | 34.8 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -93.4 | 131.3 | -179.7 | -83.1 | -99 | -70.3 | 0 | 0 | 111.9 | | |
| 273 | G | 32.5 | Very low | 34.5 | Very low | 69 Ų | 69 | 149.6 Ų | 149.6 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | 65.7 | 119 | 146 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 274 | I | 32.5 | Very low | 34.2 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 80% | 0.795 | 78% | 0.78 | S | S | * | * | | | | -165.5 | 143.4 | 125.8 | -101.8 | 155.5 | 0 | 0 | 0 | 109.7 | | |
| 275 | Y | 33.1 | Very low | 34 | Very low | 202 Ų | 202 | 147.8 Ų | 147.8 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | | | trans | 64.7 | 107.5 | 174.8 | -70.8 | -54.5 | 0 | 0 | 0 | 122.5 | | |
| 276 | N | 35.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | | 87.6 | 129.9 | 129.6 | -64.8 | -20.9 | 0 | 0 | 0 | 123.5 | | |
| 277 | G | 32.6 | Very low | 32.9 | Very low | 69 Ų | 69 | 144.8 Ų | 144.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | 78.7 | 101.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 278 | V | 30.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 141.6 Ų | 141.6 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | | | cis | 62.1 | 58.9 | 37.3 | -161.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 279 | R | 34.6 | Very low | 32.6 | Very low | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | | 179 | 158.1 | 122.5 | -99.3 | 169.5 | -179.2 | -179.3 | 0.7 | 112.4 | | |
| 280 | A | 27.1 | Very low | 32.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | trans | -98.2 | -179.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 281 | P | 41.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | cis | -126 | -143.6 | -29.8 | 30.7 | -9.9 | 0 | 0 | 0 | 109.5 | | |
| 282 | V | 29.1 | Very low | 32 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | 88.7 | 142.9 | 161.7 | -170 | 0 | 0 | 0 | 0 | 117.4 | | |
| 283 | K | 29.7 | Very low | 31.9 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | | | trans | -64 | 145.3 | 176.3 | -37.6 | 149.5 | -179.2 | 173.6 | 0 | 111.5 | | |
| 284 | T | 28.8 | Very low | 31.7 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | | | trans | -172.7 | 146.4 | 136.2 | 20.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 285 | V | 28 | Very low | 31.6 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 72% | 0.721 | 77% | 0.774 | S | S | * | * | | | trans | 52.2 | 110.5 | 142.9 | 179.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 286 | S | 27.4 | Very low | 31.4 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | | 83 | 157.5 | 53.9 | -58.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 287 | V | 28 | Very low | 31.1 | Very low | 119 Ų | 119 | 138.1 Ų | 138.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | trans | 77 | 101.2 | 168.5 | 180 | 0 | 0 | 0 | 0 | 113.6 | | |
| 288 | L | 32.7 | Very low | 30.8 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 72% | 0.723 | 78% | 0.775 | S | S | * | * | | | | 69.1 | 147.9 | 99 | -68.4 | 150.5 | 0 | 0 | 0 | 113 | | |
| 289 | Q | 35 | Very low | 30.7 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | | | cis | -149.6 | 173.5 | 15.7 | -139.2 | 153.5 | -71.9 | 0 | 0 | 107 | | |
| 290 | E | 42 | Very low | 30.4 | Very low | 140 Ų | 140 | 140.6 Ų | 140.6 | 65% | 0.654 | 77% | 0.77 | S | S | * | * | | | cis | -163.8 | 163.5 | 23.8 | -167.8 | 161 | -100.8 | 0 | 0 | 111.9 | | |
| 291 | R | 33.9 | Very low | 30.7 | Very low | 224 Ų | 224 | 143.2 Ų | 143.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | S | Bend | trans | 75.4 | 101 | 174.8 | -52.1 | -170.8 | -179.6 | -166.3 | -1.9 | 117 | | |
| 292 | T | 26.5 | Very low | 30 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | S | Bend | cis | -144.3 | 113.9 | -6.5 | 42.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 293 | A | 28.3 | Very low | 30.4 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | 40.4 | 88.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 294 | P | 29.3 | Very low | 30.5 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | | -80.9 | 143 | 117.5 | 35.1 | -27.6 | 0 | 0 | 0 | 109.7 | | |
| 295 | D | 30.1 | Very low | 30.6 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -138.1 | 140.6 | 168.3 | -146.1 | -16.4 | 0 | 0 | 0 | 111 | | |
| 296 | S | 27.7 | Very low | 30.9 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | | | trans | -147.2 | 126.5 | -168.3 | 71.4 | 0 | 0 | 0 | 0 | 112 | | |
| 297 | F | 29.3 | Very low | 31.2 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 90% | 0.895 | 77% | 0.768 | S | S | * | * | | | trans | 53.2 | 107 | 175 | -72.1 | -92.9 | 0 | 0 | 0 | 116.2 | | |
| 298 | V | 27.1 | Very low | 31.5 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | | | | -177.8 | 127.4 | 113.4 | 143.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 299 | K | 27.8 | Very low | 31.6 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | | | trans | 42 | 121.6 | 154.8 | -61.5 | 172.5 | -176 | 172.2 | 0 | 120 | | |
| 300 | K | 29.8 | Very low | 31.5 | Very low | 195 Ų | 195 | 145.7 Ų | 145.7 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | 95.6 | 155.3 | 159.4 | -56.3 | 171.4 | 179.7 | -179.4 | 0 | 116.1 | | |
| 301 | T | 33.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | 57.3 | 110.6 | 162.5 | 42.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 302 | A | 25.7 | Very low | 30.6 | Very low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -71.2 | 175.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 303 | P | 38.3 | Very low | 31.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | cis | -143.8 | -148.3 | 21.1 | 41.9 | -18.2 | 0 | 0 | 0 | 115.2 | | |
| 304 | F | 32.7 | Very low | 31.4 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 76% | 0.763 | 78% | 0.775 | S | S | * | * | | | trans | 72.9 | 124.9 | -177.1 | -54.2 | -74.3 | 0 | 0 | 0 | 114.8 | | |
| 305 | Q | 30.2 | Very low | 31.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | cis | 77.6 | 101.9 | 38.9 | -66 | -174.1 | -56.8 | 0 | 0 | 115.3 | | |
| 306 | Q | 35.1 | Very low | 31.8 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | | -173 | 124.8 | 109.8 | -99.7 | -177.4 | -54.3 | 0 | 0 | 108.3 | | |
| 307 | V | 33.5 | Very low | 31.8 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | | | | 78.1 | 128.3 | 89.2 | 166.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 308 | D | 33.2 | Very low | 32.4 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | cis | -143.4 | 179.3 | 30.8 | -135.6 | -29.6 | 0 | 0 | 0 | 117.2 | | |
| 309 | E | 35.6 | Very low | 32.5 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 77% | 0.771 | 77% | 0.772 | S | S | * | * | | | trans | 68.4 | 64 | 155.6 | -67.6 | -177.8 | 171.7 | 0 | 0 | 120.6 | | |
| 310 | T | 31.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | | 62.3 | 117.5 | 124.7 | 52 | 0 | 0 | 0 | 0 | 123.1 | | |
| 311 | S | 27.4 | Very low | 32.4 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | | | trans | 63.8 | 70.8 | 149.6 | 49.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 312 | G | 30.3 | Very low | 32.1 | Very low | 74 Ų | 74 | 137.8 Ų | 137.8 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | | | trans | -87.3 | 174 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 313 | P | 37.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | -131.4 | -161.6 | -157.8 | 41.7 | -23.5 | 0 | 0 | 0 | 115 | | |
| 314 | L | 33.9 | Very low | 32 | Very low | 138 Ų | 138 | 145.5 Ų | 145.5 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | trans | 68.9 | 167.8 | 163 | -95.3 | 58.7 | 0 | 0 | 0 | 115.8 | | |
| 315 | E | 37.9 | Very low | 31.9 | Very low | 169 Ų | 169 | 141.3 Ų | 141.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | | | cis | -148.2 | 174.5 | 9.1 | -148.9 | 167.2 | -150.9 | 0 | 0 | 113 | | |
| 316 | K | 29.2 | Very low | 32 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | | | trans | -92 | 160.5 | 167.7 | -64.8 | 165.6 | -175.1 | 154.8 | 0 | 110.9 | | |
| 317 | W | 29 | Very low | 32 | Very low | 236 Ų | 236 | 138.9 Ų | 138.9 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | | | | 167.7 | 157.9 | 117.5 | -93.4 | 89.4 | 0 | 0 | 0 | 110.4 | | |
| 318 | P | 41.4 | Very low | 31.9 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -113.3 | 159.7 | -157 | 38.9 | -27.5 | 0 | 0 | 0 | 115.8 | | |
| 319 | G | 28.9 | Very low | 32 | Very low | 80 Ų | 80 | 139.8 Ų | 139.8 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | trans | -154.9 | 148.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 320 | A | 26.4 | Very low | 31.9 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | trans | -90.7 | 161.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 321 | K | 29.6 | Very low | 32 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | trans | 76.6 | 108.1 | 178.7 | -59.3 | 175.3 | -179.3 | 176.1 | 0 | 112.8 | | |
| 322 | N | 27.2 | Very low | 32.4 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | | | | 72.6 | 126.7 | 87.4 | -82.3 | -6 | 0 | 0 | 0 | 113.4 | | |
| 323 | V | 31.1 | Very low | 32.6 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | trans | 69.2 | 130.8 | 169.9 | -178.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 324 | W | 30.3 | Very low | 32.1 | Very low | 228 Ų | 228 | 143.9 Ų | 143.9 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | | | cis | -163.3 | 162.7 | -18 | -111.4 | -5.5 | 0 | 0 | 0 | 108.7 | | |
| 325 | S | 31.5 | Very low | 32 | Very low | 87 Ų | 87 | 147.2 Ų | 147.2 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | | | trans | 48.9 | 121 | 145.3 | 67.1 | 0 | 0 | 0 | 0 | 122.7 | | |
| 326 | R | 32 | Very low | 31.9 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 64% | 0.638 | 75% | 0.746 | S | S | * | * | | | | 74.1 | 146 | 129.7 | -64 | 173.1 | 168.9 | -136.7 | 14.9 | 117.4 | N338 G339 | R326-N338 PolarHBondContact NH2-O 3.37Å; R326-N338 VanDerWaalsContact NH2-O 3.12Å; R326-G339 PolarHBondContact NH2-O 2.71Å |
| 327 | Q | 35 | Very low | 32.2 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 58% | 0.575 | 75% | 0.754 | S | S | * | * | | | cis | -161.4 | 151 | -4.3 | -114.4 | 169.4 | -84.4 | 0 | 0 | 110 | | |
| 328 | F | 30.5 | Very low | 32.4 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 59% | 0.592 | 74% | 0.744 | S | S | * | * | | | trans | 39.7 | 150.2 | 151.5 | -63.4 | -65.9 | 0 | 0 | 0 | 121.4 | | |
| 329 | L | 35.2 | Very low | 31.9 | Very low | 133 Ų | 133 | 139 Ų | 139 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | | | cis | -158.7 | 104.6 | 28.4 | -149.5 | 163.7 | 0 | 0 | 0 | 112.6 | | |
| 330 | Q | 33.2 | Very low | 32 | Very low | 181 Ų | 181 | 142.6 Ų | 142.6 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 168.9 | 135 | 151.6 | -102 | -174.7 | -10.9 | 0 | 0 | 108.3 | | |
| 331 | Q | 34.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 70% | 0.696 | 73% | 0.728 | S | S | * | * | S | Bend | cis | -155 | 123.8 | -34.3 | -145.4 | 168.2 | -2.6 | 0 | 0 | 106.8 | | |
| 332 | E | 36.3 | Very low | 32.1 | Very low | 141 Ų | 141 | 139.3 Ų | 139.3 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | | | cis | -142.1 | 156.7 | -4.3 | -126.3 | 156.9 | -128.4 | 0 | 0 | 111 | | |
| 333 | S | 33.4 | Very low | 32.4 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 53% | 0.531 | 72% | 0.72 | S | S | . | * | | | trans | -58.8 | 135.6 | -168.3 | 50 | 0 | 0 | 0 | 0 | 114.4 | | |
| 334 | V | 29 | Very low | 32.4 | Very low | 139 Ų | 139 | 139 Ų | 139 | 84% | 0.842 | 73% | 0.726 | S | S | * | * | | | cis | 67.5 | 127.5 | 45.5 | -173.7 | 0 | 0 | 0 | 0 | 114.5 | | |
| 335 | K | 29.8 | Very low | 32.7 | Very low | 207 Ų | 207 | 133.3 Ų | 133.3 | 90% | 0.9 | 72% | 0.719 | S | S | * | * | | | trans | -71.3 | 129.8 | -178.8 | -58.1 | 165.2 | -178.3 | 166.4 | 0 | 112.7 | | |
| 336 | A | 37.3 | Very low | 32.7 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 88% | 0.884 | 72% | 0.72 | S | S | * | * | | | trans | -169.4 | 154.1 | 139.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 337 | R | 34.8 | Very low | 32.9 | Very low | 227 Ų | 227 | 132.6 Ų | 132.6 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | | | trans | -97.8 | 149.7 | -168.5 | -107.3 | -176.8 | 168.3 | 163.6 | -5.1 | 115 | | |
| 338 | N | 32.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | | | trans | 77.6 | 151.4 | 143.7 | -64.4 | 7.8 | 0 | 0 | 0 | 121.1 | R326 | R326-N338 PolarHBondContact NH2-O 3.37Å; R326-N338 VanDerWaalsContact NH2-O 3.12Å |
| 339 | G | 32.2 | Very low | 33.1 | Very low | 44 Ų | 44 | 133.3 Ų | 133.3 | 45% | 0.454 | 73% | 0.731 | S | S | . | * | | | trans | 87.8 | 113.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R326 | R326-G339 PolarHBondContact NH2-O 2.71Š|
| 340 | I | 29.7 | Very low | 33.1 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 80% | 0.795 | 73% | 0.73 | S | S | * | * | | | cis | -176 | 142 | -33.3 | -101.4 | 162.5 | 0 | 0 | 0 | 103.5 | | |
| 341 | S | 28.5 | Very low | 33.3 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | | | trans | 41.3 | 106.2 | 168.1 | 65.6 | 0 | 0 | 0 | 0 | 120.8 | | |
| 342 | S | 29.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | | | | -168.5 | 136.4 | 118.8 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 343 | S | 34 | Very low | 33.4 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 72% | 0.72 | S | S | * | * | | | trans | 21.8 | 122.4 | 157.2 | 55.8 | 0 | 0 | 0 | 0 | 119.9 | | |
| 344 | L | 31.8 | Very low | 33.5 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 87% | 0.874 | 71% | 0.711 | S | S | * | * | | | | 52.6 | 147.5 | 64.6 | -73.9 | 156.7 | 0 | 0 | 0 | 114.2 | | |
| 345 | P | 36.8 | Very low | 33.9 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 71% | 0.714 | 69% | 0.693 | S | S | * | * | | | cis | -131.1 | -168.8 | 2.7 | 41.7 | -24.9 | 0 | 0 | 0 | 114.5 | | |
| 346 | A | 31.5 | Very low | 34.4 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | | | trans | 65.7 | 143 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 347 | H | 36 | Very low | 34.3 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | | | cis | -154.6 | 165.6 | -6.3 | -86.9 | -65.6 | 0 | 0 | 0 | 106.9 | | |
| 348 | Q | 34.1 | Very low | 34.5 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 62% | 0.617 | 67% | 0.673 | S | S | * | * | | | cis | -174.9 | 134.3 | -26.2 | 173.3 | 167.6 | -37.1 | 0 | 0 | 109.5 | | |
| 349 | E | 34.4 | Very low | 34.5 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 66% | 0.659 | 67% | 0.669 | S | S | * | * | | | trans | 64.2 | 147.7 | 165.1 | -68.4 | 177.2 | 112 | 0 | 0 | 118.7 | | |
| 350 | Q | 36.4 | Very low | 34.5 | Very low | 143 Ų | 143 | 114.5 Ų | 114.5 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | | | cis | -155.5 | 129.8 | -0.8 | -116.9 | 170.2 | 38.6 | 0 | 0 | 112.7 | | |
| 351 | Q | 36.5 | Very low | 34.8 | Very low | 180 Ų | 180 | 111 Ų | 111 | 84% | 0.841 | 66% | 0.655 | S | S | * | * | | | trans | 57.4 | 136 | 146.7 | -55.7 | -176.6 | 9.5 | 0 | 0 | 126.6 | | |
| 352 | S | 34.5 | Very low | 35.1 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 72% | 0.72 | 66% | 0.657 | S | S | * | * | | | trans | 90.1 | 163.7 | 148.5 | -147.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 353 | A | 37.4 | Very low | 35.3 | Very low | 53 Ų | 53 | 115 Ų | 115 | 44% | 0.438 | 65% | 0.651 | S | S | . | * | | | | -167.3 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | N103 I104 | N103-A353 CarbonylContact C-O 3.3Å; N103-A353 VanDerWaalsContact C-O 3.28Å; I104-A353 PolarHBondContact N-O 3.09Å |
| 354 | R | 36.7 | Very low | 35.3 | Very low | 92 Ų | 92 | 118 Ų | 118 | 35% | 0.347 | 66% | 0.657 | S | S | . | * | | | trans | 66.9 | 130.7 | 156.5 | -54.9 | 177.2 | -76.1 | -166.9 | -178.8 | 125.9 | E101 M102 N103 | E101-R354 WeakPolarHBondContact O-CD 3.2Å; E101-R354 VanDerWaalsContact O-CZ 3.26Å; E101-R354 PolarHBondContact O-NE 3.12Å; E101-R354 PolarHBondContact O-NH2 2.78Å; M102-R354 VanDerWaalsContact C-NE 3.29Å; M102-R354 PolarHBondContact O-NE 2.79Å; M102-R354 PolarHBondContact O-NH1 3.44Å; M102-R354 PolarHBondContact O-NH2 3.29Å; N103-R354 WeakPolarHBondContact O-CB 3.28Å; N103-R354 PolarHBondContact O-NE 2.75Å; N103-R354 VanDerWaalsContact O-NE 3.09Å; N103-R354 PolarHBondContact O-NH1 2.83Å |
| 355 | D | 37.8 | Very low | 35.5 | Very low | 85 Ų | 85 | 113.3 Ų | 113.3 | 46% | 0.455 | 65% | 0.65 | S | S | . | * | | | trans | 100.9 | 113.3 | 143.4 | -61.4 | -31 | 0 | 0 | 0 | 127.7 | M102 N103 | M102-D355 WeakPolarHBondContact CA-OD2 3.46Å; M102-D355 PolarHBondContact N-OD2 2.68Å; N103-D355 PolarHBondContact N-OD2 3.23Å |
| 356 | I | 39.4 | Very low | 35.3 | Very low | 141 Ų | 141 | 117.3 Ų | 117.3 | 72% | 0.723 | 66% | 0.656 | S | S | * | * | | | | 82.9 | 101.6 | 127.3 | -61.1 | 171.2 | 0 | 0 | 0 | 125.7 | | |
| 357 | T | 34.7 | Very low | 35.3 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | | | trans | 58.1 | 174.4 | 148.5 | 52 | 0 | 0 | 0 | 0 | 122.8 | | |
| 358 | P | 39.5 | Very low | 35.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | | | cis | -137.9 | 164.7 | 3.4 | 41.8 | -22.4 | 0 | 0 | 0 | 121.6 | R885 | P358-R885 PolarHBondContact O-NH1 2.94Š|
| 359 | G | 32.3 | Very low | 35.1 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 67% | 0.667 | S | S | * | * | | | | 82.3 | 96.7 | 119.3 | 0 | 0 | 0 | 0 | 0 | 125.1 | R885 | G359-R885 VanDerWaalsContact C-CZ 3.48Å; G359-R885 VanDerWaalsContact C-NH2 3.33Å; G359-R885 PolarHBondContact O-NE 2.99Å; G359-R885 PolarHBondContact O-NH1 2.83Å; G359-R885 PolarHBondContact O-NH2 2.9Å; G359-R885 VanDerWaalsContact O-NH2 3.15Å |
| 360 | G | 32.1 | Very low | 35.1 | Very low | 44 Ų | 44 | 122.3 Ų | 122.3 | 45% | 0.454 | 67% | 0.669 | S | S | . | * | | | trans | 106.2 | 157.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | R885 | G360-R885 VanDerWaalsContact O-CZ 3.25Å; G360-R885 PolarHBondContact O-NE 2.98Å; G360-R885 PolarHBondContact O-NH2 2.82Å |
| 361 | T | 35.7 | Very low | 34.9 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | | | cis | -154.1 | 166.9 | -5.4 | 47.3 | 0 | 0 | 0 | 0 | 112.4 | S884 | T361-S884 WeakPolarHBondContact O-CB 3.4Å; T361-S884 WeakPolarHBondContact OG1-CB 3.22Å |
| 362 | K | 34.7 | Very low | 34.4 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | | | trans | 77.9 | 127.6 | 167.2 | -76.1 | -164.2 | 171.5 | -167.3 | 0 | 121.9 | | |
| 363 | D | 35.3 | Very low | 34.3 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 64% | 0.642 | 68% | 0.679 | S | S | * | * | | | trans | 72.8 | 95.9 | 141.9 | -53.2 | -22 | 0 | 0 | 0 | 123 | | |
| 364 | I | 33 | Very low | 34.1 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 84% | 0.836 | 69% | 0.692 | S | S | * | * | | | | 53.7 | 87.7 | 122.4 | -54 | 159.3 | 0 | 0 | 0 | 116 | | |
| 365 | G | 37.5 | Very low | 34.2 | Very low | 70 Ų | 70 | 128.5 Ų | 128.5 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | | | trans | -152.9 | 88 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 366 | K | 31.8 | Very low | 34 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | | | trans | -68.5 | 157 | 178.1 | -66.5 | -178.7 | -179.9 | 178.8 | 0 | 110.4 | | |
| 367 | H | 30.6 | Very low | 33.8 | Very low | 181 Ų | 181 | 126 Ų | 126 | 84% | 0.838 | 71% | 0.712 | S | S | * | * | | | trans | 73.4 | 137.8 | -160.7 | -43.1 | -71 | 0 | 0 | 0 | 112.1 | | |
| 368 | K | 35.4 | Very low | 33.9 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 77% | 0.774 | 71% | 0.708 | S | S | * | * | | | cis | -141.5 | 144.2 | 38.8 | -82.3 | -178.7 | 166.8 | -172.8 | 0 | 114.7 | | |
| 369 | I | 32.3 | Very low | 33.6 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | | | | 49.9 | 124.7 | 127.5 | -43.8 | 165.5 | 0 | 0 | 0 | 115.6 | | |
| 370 | L | 34.1 | Very low | 33.7 | Very low | 136 Ų | 136 | 125.2 Ų | 125.2 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | | | | -149.5 | 125.3 | 68 | -70.6 | 145.4 | 0 | 0 | 0 | 108.4 | | |
| 371 | I | 31.4 | Very low | 33.8 | Very low | 153 Ų | 153 | 129 Ų | 129 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | S | Bend | | 12.9 | 97 | 56.5 | -56.6 | -174.8 | 0 | 0 | 0 | 114.3 | Q373 | I371-Q373 PolarHBondContact O-N 2.92Š|
| 372 | K | 25.6 | Very low | 33.8 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | | | trans | 0.3 | 102.2 | 150.2 | -61.9 | 179.3 | 178.7 | -177.7 | 0 | 115.9 | | |
| 373 | Q | 33.3 | Very low | 33.8 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | | | trans | -168.9 | 139.3 | 130.4 | -104.7 | 162.5 | 5 | 0 | 0 | 106.3 | I371 | I371-Q373 PolarHBondContact O-N 2.92Š|
| 374 | A | 33.3 | Very low | 34.1 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | | | cis | 174.7 | 133.9 | -18.9 | 0 | 0 | 0 | 0 | 0 | 102.1 | | |
| 375 | A | 38.4 | Very low | 33.9 | Very low | 95 Ų | 95 | 133.5 Ų | 133.5 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | | | trans | -65.6 | 157.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 376 | P | 34.4 | Very low | 33.4 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | | | | -134.9 | 175.9 | 86 | 41.4 | -30.4 | 0 | 0 | 0 | 112.1 | | |
| 377 | S | 34.8 | Very low | 33.3 | Very low | 55 Ų | 55 | 131.9 Ų | 131.9 | 39% | 0.385 | 70% | 0.701 | S | S | . | * | | | cis | -136.4 | 147.1 | 5.2 | 50 | 0 | 0 | 0 | 0 | 108.3 | A92 | A92-S377 PolarHBondContact O-OG 3.03Š|
| 378 | Q | 35.8 | Very low | 33.2 | Very low | 153 Ų | 153 | 129.5 Ų | 129.5 | 72% | 0.715 | 69% | 0.694 | S | S | * | * | | | | 46.9 | 135.1 | 66.1 | -74.1 | -164.8 | -21.5 | 0 | 0 | 110.8 | A92 E93 H94 | A92-Q378 CarbonylContact C-O 2.92Å; E93-Q378 CarbonylContact C-O 3.49Å; E93-Q378 WeakPolarHBondContact CA-O 3.24Å; E93-Q378 PolarHBondContact N-O 3.15Å; H94-Q378 PolarHBondContact N-O 2.66Å; H94-Q378 CarbonylContact O-C 3.2Å; H94-Q378 PolarHBondContact O-N 2.87Å |
| 379 | Q | 34.7 | Very low | 33.3 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 33% | 0.332 | 70% | 0.695 | S | S | . | * | | | cis | -156.6 | 171.3 | 40.7 | -49.2 | 143.4 | -129.7 | 0 | 0 | 114.6 | E93 H94 | E93-Q379 VanDerWaalsContact OE1-CD 3.22Å; E93-Q379 PolarHBondContact OE1-NE2 3.49Å; H94-Q379 WeakPolarHBondContact CA-O 3.41Å; H94-Q379 PolarHBondContact ND1-O 2.78Å |
| 380 | S | 33.7 | Very low | 33.8 | Very low | 56 Ų | 56 | 132.7 Ų | 132.7 | 39% | 0.392 | 70% | 0.702 | S | S | . | * | | | trans | 44.9 | 151.9 | 136.4 | 54.8 | 0 | 0 | 0 | 0 | 126 | E93 F95 | E93-S380 PolarHBondContact OE1-OG 2.99Å; F95-S380 WeakPolarHBondContact CE2-O 3.19Å |
| 381 | L | 33.2 | Very low | 33.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 64% | 0.644 | 71% | 0.712 | S | S | * | * | | | trans | 90.1 | 88.7 | -177.5 | -56.9 | 175.6 | 0 | 0 | 0 | 114.1 | F95 | F95-L381 WeakPolarHBondContact CE2-O 3.33Å; F95-L381 VanDerWaalsContact CZ-C 3.43Å; F95-L381 VanDerWaalsContact CZ-O 3.31Å; F95-L381 WeakPolarHBondContact CZ-O 3.5Å |
| 382 | F | 35.9 | Very low | 33.6 | Very low | 187 Ų | 187 | 132.3 Ų | 132.3 | 82% | 0.82 | 71% | 0.708 | S | S | * | * | | | cis | -137.6 | -179.6 | 40.2 | -90.7 | -92 | 0 | 0 | 0 | 116.3 | | |
| 383 | L | 35.4 | Very low | 34.3 | Very low | 157 Ų | 157 | 128.8 Ų | 128.8 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | trans | -83.6 | 165.5 | -157.8 | -73.5 | 157.2 | 0 | 0 | 0 | 116.2 | | |
| 384 | P | 42.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | trans | -89.5 | 160.4 | 172.6 | 37.5 | -36.3 | 0 | 0 | 0 | 113.6 | | |
| 385 | K | 29.1 | Very low | 34.3 | Very low | 193 Ų | 193 | 131 Ų | 131 | 84% | 0.839 | 71% | 0.707 | S | S | * | * | | | trans | -174.2 | 124.5 | 151.9 | -101.5 | 150.6 | -173.2 | -178.3 | 0 | 109.5 | | |
| 386 | T | 27 | Very low | 33.8 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | | | | 59.4 | 129.3 | 93.7 | 68.4 | 0 | 0 | 0 | 0 | 116 | | |
| 387 | T | 28.1 | Very low | 33.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 71% | 0.705 | S | S | * | * | | | trans | 61.5 | 143.5 | 152.1 | 52.3 | 0 | 0 | 0 | 0 | 117 | | |
| 388 | D | 30.2 | Very low | 33.7 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | cis | -127.4 | 175.6 | 15.3 | -72.4 | -75.8 | 0 | 0 | 0 | 110.2 | | |
| 389 | Y | 35.9 | Very low | 33.7 | Very low | 202 Ų | 202 | 141.9 Ų | 141.9 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | S | Bend | cis | -138.7 | 165.6 | 27.1 | -97.3 | -102.8 | 0 | 0 | 0 | 114.5 | | |
| 390 | E | 42.9 | Very low | 33.4 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | 60.3 | 70.1 | 153.4 | -76.9 | 166.6 | -150 | 0 | 0 | 121.1 | G392 | E390-G392 PolarHBondContact O-N 3.1Š|
| 391 | K | 33.6 | Very low | 33.6 | Very low | 211 Ų | 211 | 147.8 Ų | 147.8 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | | | | -5.7 | 112.2 | 129.5 | -58.4 | 166.8 | -176.6 | 165.1 | 0 | 117.5 | | |
| 392 | G | 28.2 | Very low | 33.9 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | | 92.9 | -166.1 | 121 | 0 | 0 | 0 | 0 | 0 | 118.6 | E390 | E390-G392 PolarHBondContact O-N 3.1Š|
| 393 | P | 40.8 | Very low | 33.8 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | | -126.6 | -155.1 | -117.2 | 39.5 | -23.5 | 0 | 0 | 0 | 113.5 | | |
| 394 | V | 34.6 | Very low | 33.9 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | | | trans | 80 | 103.2 | 178.4 | -167.9 | 0 | 0 | 0 | 0 | 112 | | |
| 395 | K | 31.4 | Very low | 33.6 | Very low | 174 Ų | 174 | 148.9 Ų | 148.9 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | | | | 62.7 | 88.1 | 81.6 | -84.4 | -167.8 | 169.9 | -174.3 | 0 | 116 | | |
| 396 | H | 28.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | | | trans | 72.4 | 152.6 | 141.7 | -50.9 | -71.6 | 0 | 0 | 0 | 121.3 | | |
| 397 | F | 30.9 | Very low | 34.4 | Very low | 187 Ų | 187 | 145.4 Ų | 145.4 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | 76.2 | 79.2 | 160 | -64.4 | -64.3 | 0 | 0 | 0 | 120 | | |
| 398 | S | 35.9 | Very low | 34.9 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | | 51.7 | 89.2 | 114.5 | 64.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 399 | E | 34.6 | Very low | 35.4 | Very low | 206 Ų | 206 | 149.7 Ų | 149.7 | 96% | 0.963 | 76% | 0.764 | S | S | * | * | | | trans | -142.9 | 156.6 | 143.3 | -97.1 | 177.6 | 149.7 | 0 | 0 | 105.9 | | |
| 400 | G | 29.4 | Very low | 35.3 | Very low | 66 Ų | 66 | 147.7 Ų | 147.7 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | | | cis | 177.6 | 142.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 401 | M | 37.7 | Very low | 35 | Very low | 185 Ų | 185 | 147.5 Ų | 147.5 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | | | trans | -67.5 | 151 | -176.1 | -66.9 | -151.2 | -56.6 | 0 | 0 | 112.1 | | |
| 402 | P | 38.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 75% | 0.753 | S | S | * | * | | | | -128.8 | 165.7 | 107.4 | 8.8 | 12 | 0 | 0 | 0 | 112.7 | | |
| 403 | E | 34.2 | Very low | 35.5 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 64% | 0.64 | 76% | 0.757 | S | S | * | * | | | cis | 152.9 | 147.8 | -12.8 | -175.6 | -165.2 | -125.6 | 0 | 0 | 105.6 | | |
| 404 | K | 37.1 | Very low | 35.1 | Very low | 156 Ų | 156 | 148.4 Ų | 148.4 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | trans | 83.2 | 136.6 | 178.9 | -56 | 145.4 | -178.6 | 123.6 | 0 | 115.2 | | |
| 405 | R | 36.5 | Very low | 35 | Very low | 188 Ų | 188 | 149.8 Ų | 149.8 | 71% | 0.709 | 76% | 0.759 | S | S | * | * | | | cis | -155.8 | 143.3 | -11.2 | -110.2 | -169.2 | 167.5 | 130.2 | 6.5 | 107.9 | | |
| 406 | E | 34.3 | Very low | 35.1 | Very low | 159 Ų | 159 | 148.9 Ų | 148.9 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | | 49.8 | 124.8 | 91.8 | -58.7 | 165.8 | -170.5 | 0 | 0 | 112.6 | | |
| 407 | A | 38.6 | Very low | 35.2 | Very low | 73 Ų | 73 | 146 Ų | 146 | 60% | 0.603 | 77% | 0.765 | S | S | * | * | | | cis | -157.7 | 162.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 408 | E | 37.4 | Very low | 35.1 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | | | | 109.6 | 140.2 | 101.2 | -102.6 | 153 | -163.8 | 0 | 0 | 113.2 | | |
| 409 | E | 40.7 | Very low | 34.8 | Very low | 168 Ų | 168 | 143.6 Ų | 143.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | | | trans | 58.7 | 147.1 | 159.5 | -65 | 167 | -177.5 | 0 | 0 | 119.8 | | |
| 410 | E | 35.6 | Very low | 34.6 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | | | cis | -158.4 | 173.6 | -15.2 | -125.2 | 179.5 | 171.3 | 0 | 0 | 111.9 | | |
| 411 | E | 35.5 | Very low | 34.7 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | trans | 71.6 | 145.4 | 157.8 | -73.2 | -171.7 | 155.4 | 0 | 0 | 127 | | |
| 412 | E | 35.8 | Very low | 34.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | 60.9 | -170.6 | 155.9 | -64.7 | -161.5 | 153.9 | 0 | 0 | 125.3 | | |
| 413 | E | 36 | Very low | 34.3 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | | -108 | 167.8 | -128.5 | -60.1 | -161.8 | 118.1 | 0 | 0 | 119.7 | | |
| 414 | A | 34.3 | Very low | 34.2 | Very low | 93 Ų | 93 | 142 Ų | 142 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 78.1 | 114.8 | 144.2 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 415 | D | 31.8 | Very low | 33.8 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | | | trans | 65.1 | 153.7 | 134.4 | -115.2 | -12 | 0 | 0 | 0 | 126.2 | | |
| 416 | L | 34 | Very low | 33.5 | Very low | 155 Ų | 155 | 140.5 Ų | 140.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | 67.8 | 107.3 | 159.4 | -81.3 | 161.3 | 0 | 0 | 0 | 123.6 | | |
| 417 | A | 31 | Very low | 33.4 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | trans | 84.9 | 164.4 | 135.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 418 | A | 28.7 | Very low | 33 | Very low | 87 Ų | 87 | 140.7 Ų | 140.7 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | | | trans | 71.9 | 135.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 419 | I | 29.3 | Very low | 32.8 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | cis | 83 | 119.9 | 33 | -63.5 | 170.1 | 0 | 0 | 0 | 111 | | |
| 420 | L | 30.3 | Very low | 32.3 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | cis | -165.8 | 162.7 | 4.7 | -110.1 | 175.7 | 0 | 0 | 0 | 112.2 | | |
| 421 | L | 31.6 | Very low | 32.1 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | | | trans | 66.3 | 168.4 | 151.1 | -69.2 | 163.7 | 0 | 0 | 0 | 120.1 | | |
| 422 | P | 39 | Very low | 32 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | cis | -123.2 | -171.4 | -21.4 | 28.3 | -6.5 | 0 | 0 | 0 | 113.5 | | |
| 423 | A | 29.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | trans | -85.8 | 168.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 424 | Q | 31.7 | Very low | 31.2 | Very low | 184 Ų | 184 | 134.4 Ų | 134.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | cis | -163.9 | 134.1 | 16.1 | -161.2 | 174.2 | 91.8 | 0 | 0 | 112.5 | | |
| 425 | S | 28.7 | Very low | 30.9 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | 170 | 176.2 | 133.2 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 426 | K | 29.7 | Very low | 30.8 | Very low | 193 Ų | 193 | 132.6 Ų | 132.6 | 84% | 0.839 | 77% | 0.765 | S | S | * | * | | | trans | -63.2 | 152.1 | -175.5 | -42.2 | 162.1 | -176.1 | 170.4 | 0 | 110.5 | | |
| 427 | T | 31.7 | Very low | 31.2 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | cis | -152.5 | 162.1 | 28.2 | 40.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 428 | A | 31.3 | Very low | 31.5 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 88% | 0.884 | 76% | 0.763 | S | S | * | * | | | trans | 16.7 | 120.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 429 | G | 32 | Very low | 31.6 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | trans | 149.7 | 89.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 430 | L | 31.5 | Very low | 31.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | | | | 52.7 | 81.1 | 92 | -80.6 | 175.5 | 0 | 0 | 0 | 116.5 | | |
| 431 | S | 30.6 | Very low | 31.9 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | | | trans | 76 | 149.8 | 130.2 | 77.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 432 | K | 32.8 | Very low | 32.4 | Very low | 183 Ų | 183 | 133.1 Ų | 133.1 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | | | trans | 74.5 | 132.1 | 168.7 | -62.2 | 179.7 | -178.1 | -175.9 | 0 | 113.9 | | |
| 433 | R | 27.9 | Very low | 32.4 | Very low | 213 Ų | 213 | 138.3 Ų | 138.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | | 69.3 | 136.6 | 50.6 | -67.7 | -177.1 | 145.5 | -152.2 | -2.3 | 111.1 | | |
| 434 | H | 27.1 | Very low | 32.4 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 59% | 0.588 | 75% | 0.749 | S | S | * | * | | | cis | -161.1 | 164.5 | -0.7 | -120.2 | -64.3 | 0 | 0 | 0 | 108.6 | | |
| 435 | N | 27.6 | Very low | 32.3 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | trans | 64.1 | 172.5 | 150 | -68.3 | 18.3 | 0 | 0 | 0 | 116.1 | | |
| 436 | S | 31.1 | Very low | 32.8 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 66% | 0.664 | 73% | 0.733 | S | S | * | * | | | cis | -133 | 165.9 | 5.4 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 437 | Q | 43 | Very low | 32.9 | Very low | 167 Ų | 167 | 137.2 Ų | 137.2 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | trans | -69.6 | 159.6 | 158.7 | -66.3 | 149.6 | -91.5 | 0 | 0 | 109.7 | | |
| 438 | P | 36.7 | Very low | 33 | Very low | 117 Ų | 117 | 137 Ų | 137 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | | | | -119.5 | 139.3 | 111.8 | -4.8 | 25 | 0 | 0 | 0 | 110.6 | | |
| 439 | V | 30 | Very low | 33.7 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | | | | 73.7 | 121.2 | 69.2 | 175.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 440 | D | 31.2 | Very low | 33.5 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 59% | 0.588 | 71% | 0.711 | S | S | * | * | | | trans | 44.8 | 109.2 | 156.3 | -81.8 | 18.9 | 0 | 0 | 0 | 123.8 | | |
| 441 | K | 34.2 | Very low | 34.3 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 65% | 0.648 | 71% | 0.709 | S | S | * | * | | | | 58.5 | 125.2 | 109.7 | -63.9 | -175.6 | -166.7 | 83.4 | 0 | 118.8 | | |
| 442 | N | 43.5 | Very low | 34.3 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | | | trans | 66.1 | 88.7 | 133.7 | -55.7 | -11.1 | 0 | 0 | 0 | 117.5 | R444 | N442-R444 HydrophobicContact CB-CB 4.27Å; N442-R444 VanDerWaalsContact O-CB 3.31Å; N442-R444 WeakPolarHBondContact O-CB 3.48Å |
| 443 | Y | 38.5 | Very low | 34.1 | Very low | 229 Ų | 229 | 146.5 Ų | 146.5 | 90% | 0.898 | 71% | 0.708 | S | S | * | * | | | | -82.8 | 112.1 | 111.3 | -90 | -102.7 | 0 | 0 | 0 | 107.8 | | |
| 444 | R | 30.5 | Very low | 34.2 | Very low | 176 Ų | 176 | 141 Ų | 141 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | cis | 71.6 | 111.6 | 26.9 | -155.7 | -163.6 | 177.5 | -168.3 | 3.4 | 111.5 | N442 | N442-R444 HydrophobicContact CB-CB 4.27Å; N442-R444 VanDerWaalsContact O-CB 3.31Å; N442-R444 WeakPolarHBondContact O-CB 3.48Å |
| 445 | L | 29 | Very low | 34.9 | Very low | 110 Ų | 110 | 144 Ų | 144 | 58% | 0.576 | 72% | 0.716 | S | S | * | * | | | trans | 67.6 | 170.9 | 162.5 | -61.3 | 162.8 | 0 | 0 | 0 | 115.4 | K447 | L445-K447 HydrophobicContact CD2-CB 4.17Å; L445-K447 HydrophobicContact CD2-CD 3.59Å; L445-K447 HydrophobicContact CD2-CG 3.5Å |
| 446 | P | 39.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 79% | 0.786 | 71% | 0.714 | S | S | * | * | | | cis | -90 | 147.5 | -13.9 | -5.2 | 27.4 | 0 | 0 | 0 | 111.9 | | |
| 447 | K | 31.2 | Very low | 36.4 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | | | | 62.5 | 129.1 | 57.7 | -90.7 | -174.1 | -173 | -179.2 | 0 | 114.5 | L445 | L445-K447 HydrophobicContact CD2-CB 4.17Å; L445-K447 HydrophobicContact CD2-CD 3.59Å; L445-K447 HydrophobicContact CD2-CG 3.5Å |
| 448 | L | 34.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 143 Ų | 143 | 65% | 0.649 | 72% | 0.717 | S | S | * | * | | | | 33.6 | 112.1 | 123.1 | -48.5 | 170.6 | 0 | 0 | 0 | 116.9 | | |
| 449 | L | 45.1 | Very low | 36.2 | Very low | 164 Ų | 164 | 142 Ų | 142 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | | | | -122.1 | 127.2 | 93.2 | -78.4 | 112.4 | 0 | 0 | 0 | 106.2 | | |
| 450 | H | 29.3 | Very low | 36.4 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | | 72.7 | 155.7 | 76.9 | -81.1 | -70.6 | 0 | 0 | 0 | 113 | | |
| 451 | E | 48.3 | Very low | 36.8 | Very low | 180 Ų | 180 | 145.2 Ų | 145.2 | 84% | 0.841 | 73% | 0.73 | S | S | * | * | | | trans | 68.4 | 95.5 | -176.3 | -54.9 | 173.9 | 161.3 | 0 | 0 | 111.7 | | |
| 452 | E | 30.4 | Very low | 36.9 | Very low | 142 Ų | 142 | 146.8 Ų | 146.8 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | | | cis | 58 | 96.7 | 22.3 | -113 | -85.9 | 147.6 | 0 | 0 | 112.3 | | |
| 453 | R | 27.5 | Very low | 36.5 | Very low | 197 Ų | 197 | 147.2 Ų | 147.2 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | | | trans | 71.2 | 130.6 | 177.2 | -50.1 | 164.3 | -151.1 | -127 | -13.4 | 114.3 | | |
| 454 | S | 30.2 | Very low | 36.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -155.9 | 149.7 | -6.5 | 43 | 0 | 0 | 0 | 0 | 108 | | |
| 455 | E | 41.8 | Very low | 36.5 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -129.6 | 146.9 | 24.8 | -67.3 | 164.9 | -138 | 0 | 0 | 114.2 | | |
| 456 | D | 43.4 | Very low | 37.4 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 60% | 0.599 | 76% | 0.758 | S | S | * | * | | | cis | -166.7 | -179.9 | -27.5 | -157 | 7 | 0 | 0 | 0 | 111.2 | | |
| 457 | L | 47.7 | Very low | 37.2 | Very low | 137 Ų | 137 | 146.2 Ų | 146.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | | | trans | 71.4 | 65.1 | 156 | -55.5 | -174.8 | 0 | 0 | 0 | 121.1 | | |
| 458 | S | 41.1 | Very low | 37.7 | Very low | 111 Ų | 111 | 147.3 Ų | 147.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 77.2 | 130.9 | 112.2 | 69.6 | 0 | 0 | 0 | 0 | 126.5 | | |
| 459 | A | 34.8 | Very low | 38.3 | Very low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | trans | 98.9 | 165.2 | 130.7 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 460 | T | 34.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -152.6 | 172.8 | -142.5 | 48.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 461 | E | 37.9 | Very low | 37.7 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | 76.5 | 114.4 | 142.8 | -82.8 | 168.6 | 170 | 0 | 0 | 126.8 | | |
| 462 | E | 38 | Very low | 36.7 | Very low | 183 Ų | 183 | 139.1 Ų | 139.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | 39.7 | 151.9 | 121.6 | -132.4 | -178.2 | -128 | 0 | 0 | 127.9 | | |
| 463 | V | 34.9 | Very low | 36.7 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | | | trans | 80.9 | 111.9 | 157.7 | -169.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 464 | A | 39.8 | Very low | 37.3 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -167.2 | 162.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 465 | Y | 29.3 | Very low | 37.6 | Very low | 225 Ų | 225 | 141.4 Ų | 141.4 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | -120.4 | 174.7 | 168.3 | -79.6 | -99.6 | 0 | 0 | 0 | 108.5 | | |
| 466 | P | 46.9 | Very low | 37.7 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | -126.1 | -136.7 | -44 | 38.3 | -18.9 | 0 | 0 | 0 | 109.7 | | |
| 467 | E | 35.2 | Very low | 37.6 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | | | trans | 69.2 | 118.5 | 178.1 | -51.7 | -168.3 | 129.4 | 0 | 0 | 114.4 | | |
| 468 | E | 41.5 | Very low | 37.6 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | | -166.2 | 175.1 | 82 | -118.1 | -171.2 | -178.6 | 0 | 0 | 114 | | |
| 469 | T | 47.1 | Very low | 37.1 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | trans | 49.3 | 70.6 | 161.1 | 58.6 | 0 | 0 | 0 | 0 | 119.5 | V471 | T469-V471 PolarHBondContact O-N 3.04Š|
| 470 | A | 28 | Very low | 37.6 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | -69.8 | 122.5 | 150.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 471 | V | 34 | Very low | 37.5 | Very low | 129 Ų | 129 | 145 Ų | 145 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | | | trans | -125.9 | 122.8 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | T469 | T469-V471 PolarHBondContact O-N 3.04Š|
| 472 | A | 28.1 | Very low | 37.1 | Very low | 84 Ų | 84 | 141.3 Ų | 141.3 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 148.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 473 | F | 28.9 | Very low | 36.7 | Very low | 187 Ų | 187 | 137 Ų | 137 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | S | Bend | cis | -98.5 | 169.8 | 35 | -91.7 | -99.7 | 0 | 0 | 0 | 117.7 | | |
| 474 | Q | 39.6 | Very low | 36.8 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 139.6 | -170 | -64.5 | 155.7 | -61.9 | 0 | 0 | 112.5 | | |
| 475 | P | 36.7 | Very low | 37 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | trans | -116.4 | 175.7 | -140.8 | 11 | 14 | 0 | 0 | 0 | 115 | | |
| 476 | G | 44.2 | Very low | 37.6 | Very low | 49 Ų | 49 | 135.1 Ų | 135.1 | 51% | 0.505 | 78% | 0.778 | S | S | . | * | | | trans | -75.7 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 477 | L | 42.6 | Very low | 37.3 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | | | cis | 55.4 | 92 | 21.9 | -69.8 | 161.8 | 0 | 0 | 0 | 113.4 | | |
| 478 | Y | 46 | Very low | 37.4 | Very low | 221 Ų | 221 | 131.9 Ų | 131.9 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | cis | 62 | 124.6 | 14.4 | -66.4 | -83.1 | 0 | 0 | 0 | 116.2 | | |
| 479 | G | 30.9 | Very low | 37 | Very low | 70 Ų | 70 | 134.2 Ų | 134.2 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | | | cis | -178.7 | 153.5 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 480 | P | 45.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -114.3 | -173.4 | -169.2 | 43.5 | -36.2 | 0 | 0 | 0 | 114.7 | | |
| 481 | K | 31.9 | Very low | 36.7 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 93% | 0.926 | 77% | 0.768 | S | S | * | * | | | trans | -166.6 | 163.8 | 138.5 | -105.8 | 157.8 | -172.2 | -176 | 0 | 114.5 | | |
| 482 | S | 30.5 | Very low | 36.9 | Very low | 103 Ų | 103 | 136 Ų | 136 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | -113.5 | -169.5 | -166 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 483 | A | 28.9 | Very low | 37.3 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | cis | -156.3 | -153 | 15.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 484 | E | 37.1 | Very low | 37.3 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | | | trans | -83.6 | -127.8 | 165.1 | -52.3 | -165.9 | 139.3 | 0 | 0 | 110.6 | | |
| 485 | P | 44.6 | Very low | 37 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | cis | -123.4 | -149.9 | -4.9 | 35.4 | -9.9 | 0 | 0 | 0 | 110.7 | | |
| 486 | V | 40.4 | Very low | 36.6 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 67% | 0.667 | 76% | 0.762 | S | S | * | * | | | cis | -161.2 | 156.4 | 4.5 | 72.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 487 | N | 41 | Very low | 36.6 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | 164 | 125.5 | 134.8 | -91.3 | -48 | 0 | 0 | 0 | 112.5 | | |
| 488 | G | 38.6 | Very low | 36 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | | | cis | 142.3 | 124.3 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 489 | R | 32.2 | Very low | 35.5 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 84% | 0.842 | 76% | 0.759 | S | S | * | * | | | trans | -167.1 | 139.2 | 143.5 | -135.4 | -161 | 164.2 | -177.6 | -4.9 | 113.3 | | |
| 490 | L | 33.1 | Very low | 35.8 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 65% | 0.649 | 75% | 0.752 | S | S | * | * | | | trans | 67 | 132.9 | 163.3 | -60.8 | 165.2 | 0 | 0 | 0 | 117.9 | | |
| 491 | E | 36.5 | Very low | 35.1 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | | | cis | -163.6 | 166.8 | -34.3 | -120.6 | -171.2 | -134 | 0 | 0 | 108.1 | | |
| 492 | P | 38.1 | Very low | 35.1 | Very low | 105 Ų | 105 | 132 Ų | 132 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | | -131.9 | 142.3 | -115.3 | 35.5 | -15.6 | 0 | 0 | 0 | 116 | | |
| 493 | K | 35.2 | Very low | 35.4 | Very low | 205 Ų | 205 | 134.3 Ų | 134.3 | 89% | 0.891 | 74% | 0.743 | S | S | * | * | | | trans | -173.5 | 138.3 | 151.8 | -105.1 | 164.9 | -177.7 | -177.4 | 0 | 108.8 | | |
| 494 | S | 30.6 | Very low | 35.7 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | cis | -179.8 | 121.8 | -31.4 | 40.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 495 | L | 32.4 | Very low | 35.5 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | | | trans | 64.5 | 148.4 | -175.9 | -61.8 | 162.4 | 0 | 0 | 0 | 112.6 | | |
| 496 | D | 28.3 | Very low | 35 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | | | cis | -157.8 | 174.9 | -13.1 | -144.6 | -18.2 | 0 | 0 | 0 | 108.7 | | |
| 497 | V | 43.4 | Very low | 34.5 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | | | trans | 65.9 | 175.6 | 155.4 | 169.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 498 | N | 29.9 | Very low | 34 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | | | | -151.4 | 131.1 | -87.5 | -81.1 | -54.8 | 0 | 0 | 0 | 107.2 | | |
| 499 | E | 35.6 | Very low | 33.4 | Very low | 185 Ų | 185 | 132.7 Ų | 132.7 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | trans | 57 | 171.4 | -154.5 | -110.8 | -178 | -177.6 | 0 | 0 | 111 | | |
| 500 | P | 37.6 | Very low | 33.7 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 57% | 0.571 | 73% | 0.729 | S | S | * | * | | | cis | -117.3 | -157.1 | -19.5 | 38.5 | -22 | 0 | 0 | 0 | 109.9 | | |
| 501 | D | 30.7 | Very low | 33.5 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | | | trans | 51.7 | 169.2 | 145 | -55.5 | -26.4 | 0 | 0 | 0 | 118.9 | | |
| 502 | A | 31.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 127.1 Ų | 127.1 | 65% | 0.653 | 74% | 0.741 | S | S | * | * | | | cis | -153 | 169.1 | 17.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 503 | D | 37.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | cis | -164.6 | 166 | 5.9 | -112.5 | -23.2 | 0 | 0 | 0 | 107.5 | | |
| 504 | A | 35 | Very low | 32.2 | Very low | 63 Ų | 63 | 126 Ų | 126 | 52% | 0.521 | 74% | 0.738 | S | S | . | * | | | cis | -158.6 | 155.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 505 | E | 34 | Very low | 32.4 | Very low | 172 Ų | 172 | 130.3 Ų | 130.3 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 62.3 | 150.5 | 139.3 | -70.2 | 167 | -161.8 | 0 | 0 | 123.1 | | |
| 506 | N | 33.4 | Very low | 32.3 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 60% | 0.599 | 75% | 0.746 | S | S | * | * | | | cis | -158 | -179.4 | -39.6 | -135 | -41.7 | 0 | 0 | 0 | 112.8 | | |
| 507 | L | 30.9 | Very low | 32.7 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | | | trans | -70.3 | 170.3 | -178.8 | -68.6 | 161.2 | 0 | 0 | 0 | 114.5 | | |
| 508 | G | 29.6 | Very low | 32.3 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 74% | 0.744 | S | S | * | * | | | trans | -143.5 | 9.1 | -167.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 509 | S | 27.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -166.2 | 124.4 | 165.4 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 510 | G | 38.5 | Very low | 32.2 | Very low | 77 Ų | 77 | 129 Ų | 129 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | 38.8 | 114 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 511 | E | 27.7 | Very low | 31.8 | Very low | 193 Ų | 193 | 133.8 Ų | 133.8 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -102.9 | 158.9 | 48.8 | -66 | -173.2 | 114.5 | 0 | 0 | 117.2 | | |
| 512 | T | 29.4 | Very low | 32.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -0.4 | 127.1 | 164.7 | 51.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 513 | V | 27.3 | Very low | 32 | Very low | 123 Ų | 123 | 134 Ų | 134 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | 88.2 | 116.1 | 151.1 | -178.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 514 | Q | 27.2 | Very low | 31.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | 73.5 | 104.3 | 158.3 | -77 | 164.7 | -25.5 | 0 | 0 | 121.4 | | |
| 515 | E | 33.1 | Very low | 31.5 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | trans | 70.8 | 144.2 | 135.7 | -58.4 | -171.7 | 114.2 | 0 | 0 | 122.9 | | |
| 516 | A | 30.2 | Very low | 31.2 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | 70.1 | 109.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 517 | E | 38.3 | Very low | 31.1 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | | | trans | 6.1 | 119.7 | 156.3 | -57.2 | -157.7 | 92.6 | 0 | 0 | 124.8 | | |
| 518 | R | 35.2 | Very low | 31 | Very low | 179 Ų | 179 | 129.5 Ų | 129.5 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | | | | 65 | 151.4 | 125.3 | -62.4 | 173.8 | 172.8 | 151.8 | 6.5 | 118.4 | | |
| 519 | V | 32.5 | Very low | 30.9 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 62% | 0.618 | 76% | 0.758 | S | S | * | * | | | cis | -153.2 | 167.3 | 26.1 | -129.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 520 | H | 29.5 | Very low | 31.1 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | cis | -164.9 | 151.1 | 36 | -97.7 | -65.2 | 0 | 0 | 0 | 110.6 | | |
| 521 | E | 30.6 | Very low | 30.9 | Very low | 189 Ų | 189 | 136.7 Ų | 136.7 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -147.1 | 154.9 | 135.2 | -97.4 | -136.5 | 125.9 | 0 | 0 | 110.8 | | |
| 522 | P | 36.6 | Very low | 31.2 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | -131 | 141.3 | -155.3 | 37.4 | -19.2 | 0 | 0 | 0 | 116.7 | | |
| 523 | V | 28.8 | Very low | 31.5 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 76% | 0.757 | S | S | * | * | | | trans | -141.7 | 115.4 | 170.3 | 179.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 524 | L | 32 | Very low | 31.9 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | 60.6 | 157.9 | 166 | -61.4 | 169.4 | 0 | 0 | 0 | 117.2 | | |
| 525 | S | 29.9 | Very low | 32.4 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | | | cis | -162.1 | 165.8 | -32.2 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 526 | A | 28 | Very low | 32.5 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -67.3 | 163.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 527 | S | 30 | Very low | 32.9 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | trans | 65.1 | 83.5 | 160.6 | 48.8 | 0 | 0 | 0 | 0 | 119.5 | | |
| 528 | T | 29.9 | Very low | 32.8 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | | 60.6 | 120.8 | 117.7 | 51.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 529 | L | 27.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | 92.5 | 111.2 | 136.8 | -66.5 | 165.2 | 0 | 0 | 0 | 120.9 | | |
| 530 | I | 31.9 | Very low | 33 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | | | trans | 64.8 | 98.7 | 142 | -48.9 | 164.4 | 0 | 0 | 0 | 116.9 | | |
| 531 | S | 33.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | | -172.7 | 162.8 | 91.2 | -160.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 532 | Q | 34.3 | Very low | 33.2 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -81.5 | 159.2 | 171 | -59.9 | 169.2 | -9.1 | 0 | 0 | 110.7 | | |
| 533 | R | 35.4 | Very low | 32.9 | Very low | 222 Ų | 222 | 134.1 Ų | 134.1 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | | | | -179.1 | 117.7 | 116.6 | -96.7 | -178.3 | -179.9 | -161 | -0.5 | 114.5 | | |
| 534 | H | 35.7 | Very low | 32.9 | Very low | 153 Ų | 153 | 134.7 Ų | 134.7 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | trans | 43.4 | 111.7 | 148.7 | -45.5 | -59 | 0 | 0 | 0 | 121.1 | | |
| 535 | K | 37.8 | Very low | 32.8 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | | | | -161.8 | 94.8 | 115.7 | -105.9 | 165.9 | -174.9 | 177.3 | 0 | 112.8 | | |
| 536 | L | 34.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | 71.9 | 154.1 | 136.9 | -62.9 | 169.5 | 0 | 0 | 0 | 119.8 | | |
| 537 | P | 39.1 | Very low | 33 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 62% | 0.623 | 75% | 0.753 | S | S | * | * | | | trans | -101.9 | 178.4 | -153.9 | 3.5 | 20.7 | 0 | 0 | 0 | 114.1 | A539 | P537-A539 HydrophobicContact CB-CB 3.62Š|
| 538 | P | 36.1 | Very low | 32.9 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | cis | -62 | 145.6 | 20.1 | 21 | -33.6 | 0 | 0 | 0 | 115.1 | | |
| 539 | A | 37.3 | Very low | 32.9 | Very low | 65 Ų | 65 | 145.8 Ų | 145.8 | 54% | 0.537 | 77% | 0.768 | S | S | . | * | | | cis | 68.7 | 106.2 | 17.5 | 0 | 0 | 0 | 0 | 0 | 115 | P537 | P537-A539 HydrophobicContact CB-CB 3.62Š|
| 540 | E | 34.1 | Very low | 33.3 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | cis | -133.3 | 130.8 | -2.1 | -61.3 | 179.6 | 139.6 | 0 | 0 | 108 | | |
| 541 | N | 32.9 | Very low | 33.4 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | | 67.8 | 102.7 | 59.7 | -84.6 | -19 | 0 | 0 | 0 | 115.6 | | |
| 542 | L | 32.5 | Very low | 33.4 | Very low | 152 Ų | 152 | 146.3 Ų | 146.3 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | | | trans | 68.9 | 153.9 | 142.9 | -53.3 | 168.3 | 0 | 0 | 0 | 115.3 | | |
| 543 | G | 30 | Very low | 33.2 | Very low | 55 Ų | 55 | 146.7 Ų | 146.7 | 57% | 0.567 | 77% | 0.766 | S | S | * | * | | | cis | 90.7 | 150.3 | 23.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 544 | I | 28.1 | Very low | 33.1 | Very low | 140 Ų | 140 | 147 Ų | 147 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | 73.1 | 116.3 | -157.2 | -40.8 | 154.4 | 0 | 0 | 0 | 106.9 | | |
| 545 | S | 29.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | | 52.6 | 178.5 | 62.1 | 78.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 546 | D | 28.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -60.3 | 149.7 | -161.2 | -73.4 | -73.6 | 0 | 0 | 0 | 116.7 | | |
| 547 | S | 33.6 | Very low | 32 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | trans | 77 | 74.3 | 160.1 | 73.4 | 0 | 0 | 0 | 0 | 118.9 | R549 | S547-R549 PolarHBondContact O-N 3.33Š|
| 548 | Q | 27.9 | Very low | 31.2 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | | -63.2 | 90.8 | 123.3 | -87.7 | -149.1 | 20.6 | 0 | 0 | 108.6 | S550 | Q548-S550 PolarHBondContact O-N 3.16Š|
| 549 | R | 31.4 | Very low | 30.8 | Very low | 235 Ų | 235 | 140.8 Ų | 140.8 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | | | trans | -81.5 | 110.3 | 160.8 | -159.4 | 176.5 | -158 | -133.8 | 3.1 | 108.1 | S547 R551 | S547-R549 PolarHBondContact O-N 3.33Å; R549-R551 PolarHBondContact O-N 2.63Å |
| 550 | S | 34.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | | | trans | -59 | 120.1 | -172.9 | -33.4 | 0 | 0 | 0 | 0 | 112.5 | Q548 | Q548-S550 PolarHBondContact O-N 3.16Š|
| 551 | R | 34.3 | Very low | 30.4 | Very low | 248 Ų | 248 | 142.4 Ų | 142.4 | 94% | 0.936 | 77% | 0.773 | S | S | * | * | | | trans | 175.2 | 133.6 | 133 | -96.6 | 173.3 | 174.4 | -171.6 | -2.7 | 110.5 | R549 | R549-R551 PolarHBondContact O-N 2.63Š|
| 552 | A | 32.6 | Very low | 30.4 | Very low | 75 Ų | 75 | 143.2 Ų | 143.2 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | | | cis | -159.1 | 161.2 | -7.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 553 | Q | 31.7 | Very low | 30.4 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | 49.5 | 115.5 | 146.8 | -71.9 | 168.4 | -39.6 | 0 | 0 | 119.2 | A555 | Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.12Å |
| 554 | K | 33.2 | Very low | 30.4 | Very low | 228 Ų | 228 | 145.1 Ų | 145.1 | 99% | 0.991 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 100.5 | 136.6 | -84.3 | -179.7 | 176.3 | 171.6 | 0 | 108.7 | | |
| 555 | A | 29.7 | Very low | 30.4 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | | | trans | -126.9 | 103.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | Q553 | Q553-A555 VanDerWaalsContact C-N 3.33Å; Q553-A555 PolarHBondContact O-N 3.12Å |
| 556 | L | 28.1 | Very low | 30.6 | Very low | 178 Ų | 178 | 150.7 Ų | 150.7 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | | | trans | 54.5 | 154.9 | 168 | -84 | 158.7 | 0 | 0 | 0 | 120.3 | | |
| 557 | V | 25.6 | Very low | 30.5 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -90.8 | 154 | 173.8 | 165.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 558 | S | 23.6 | Very low | 30.4 | Very low | 94 Ų | 94 | 153.1 Ų | 153.1 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | | | trans | 69.9 | 126.9 | 163.5 | 61 | 0 | 0 | 0 | 0 | 119.2 | | |
| 559 | T | 28.1 | Very low | 30.6 | Very low | 127 Ų | 127 | 151.8 Ų | 151.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | 65.3 | 140.7 | 153.7 | 55.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 560 | L | 28.9 | Very low | 30.8 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | | | cis | -154.1 | 171.6 | 11.2 | -152.9 | 71.2 | 0 | 0 | 0 | 110.3 | | |
| 561 | I | 34.1 | Very low | 30.6 | Very low | 141 Ų | 141 | 146 Ų | 146 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | | | trans | 76.8 | 151.3 | 155.7 | -79.2 | 166 | 0 | 0 | 0 | 119.4 | | |
| 562 | L | 32.5 | Very low | 30.4 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | | | trans | -53.8 | 162.2 | 175.1 | -53.8 | 79.1 | 0 | 0 | 0 | 112.5 | | |
| 563 | G | 31.1 | Very low | 30.2 | Very low | 66 Ų | 66 | 143.6 Ų | 143.6 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | | | cis | 119.6 | 152.2 | 11.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 564 | Q | 31.6 | Very low | 30 | Very low | 181 Ų | 181 | 141.1 Ų | 141.1 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | | | trans | 67.8 | 115.7 | -179.3 | -54.8 | -170 | 2.5 | 0 | 0 | 116 | | |
| 565 | V | 27.5 | Very low | 29.8 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | | | | 64.1 | 103.1 | 85.7 | -166.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 566 | R | 32.9 | Very low | 29.9 | Very low | 242 Ų | 242 | 137.2 Ų | 137.2 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | | | | -172.3 | -179.8 | 123.6 | -99.3 | 164.3 | -161.4 | -144.9 | 0.7 | 111.5 | | |
| 567 | H | 28.1 | Very low | 30.4 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | | | trans | -134.3 | 158.9 | -155.5 | -116.5 | 31.3 | 0 | 0 | 0 | 114.2 | | |
| 568 | Y | 30.2 | Very low | 30.7 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 64% | 0.635 | 72% | 0.72 | S | S | * | * | | | trans | 66.5 | 100.9 | 162.7 | -62 | -54.5 | 0 | 0 | 0 | 122 | | |
| 569 | R | 33.2 | Very low | 31 | Very low | 166 Ų | 166 | 140.1 Ų | 140.1 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | | | | 53 | 119.1 | 109 | -171.9 | -167.7 | -157.6 | 179.3 | 5.2 | 118.5 | Q938 | R569-Q938 PolarHBondContact O-NE2 3.15Å; R569-Q938 PolarHBondContact O-OE1 2.84Å |
| 570 | I | 35.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 142.2 Ų | 142.2 | 61% | 0.605 | 73% | 0.729 | S | S | * | * | | | trans | -137.4 | 165.8 | 139.4 | -74 | -166.4 | 0 | 0 | 0 | 107.7 | Q938 | I570-Q938 HydrophobicContact CD1-CB 4.36Å; I570-Q938 HydrophobicContact CG1-CB 4.41Å |
| 571 | V | 31.3 | Very low | 31.3 | Very low | 99 Ų | 99 | 140 Ų | 140 | 60% | 0.6 | 72% | 0.721 | S | S | * | * | | | trans | -95.3 | 141.1 | -169.2 | 168.1 | 0 | 0 | 0 | 0 | 113 | | |
| 572 | S | 29.9 | Very low | 31.2 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | | | trans | 63.9 | 165.2 | 162.1 | -67.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 573 | Q | 28.2 | Very low | 31.2 | Very low | 169 Ų | 169 | 139.3 Ų | 139.3 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | | | cis | -155.5 | 173.9 | 1.9 | -139.7 | 170.8 | 19.3 | 0 | 0 | 109.5 | | |
| 574 | V | 26.8 | Very low | 31.3 | Very low | 124 Ų | 124 | 141.9 Ų | 141.9 | 75% | 0.752 | 72% | 0.724 | S | S | * | * | | | trans | 65.6 | 129.2 | 159.4 | 172.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 575 | T | 29.5 | Very low | 31.5 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | | | cis | -136.3 | 173.1 | 39.2 | 12.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 576 | P | 32 | Very low | 32 | Very low | 93 Ų | 93 | 141 Ų | 141 | 60% | 0.604 | 72% | 0.717 | S | S | * | * | | | trans | -124.6 | -139.2 | -148.8 | 46.3 | -33.3 | 0 | 0 | 0 | 114.9 | | |
| 577 | Y | 37.9 | Very low | 32.1 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 79% | 0.788 | 71% | 0.709 | S | S | * | * | | | trans | 80.5 | 104.2 | -175.5 | -53.1 | -75.6 | 0 | 0 | 0 | 114 | | |
| 578 | S | 33 | Very low | 32.3 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | | | cis | 77.9 | 148.7 | 30.9 | 101.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 579 | K | 28.5 | Very low | 32.6 | Very low | 168 Ų | 168 | 133 Ų | 133 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | | | cis | -172.9 | 142 | -0.2 | -131.4 | 175.5 | -177.9 | -174.3 | 0 | 108.8 | V581 | K579-V581 HydrophobicContact CB-CG2 4.04Å; K579-V581 HydrophobicContact CD-CG2 3.83Å; K579-V581 HydrophobicContact CG-CG2 3.77Å |
| 580 | L | 31.9 | Very low | 32.4 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 90% | 0.895 | 72% | 0.722 | S | S | * | * | | | trans | -150.6 | 115 | 140.8 | -71.5 | -176.6 | 0 | 0 | 0 | 104.8 | | |
| 581 | V | 31.8 | Very low | 32 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 58% | 0.582 | 73% | 0.731 | S | S | * | * | | | cis | 77 | 132.8 | 37.6 | -174.5 | 0 | 0 | 0 | 0 | 112 | K579 | K579-V581 HydrophobicContact CB-CG2 4.04Å; K579-V581 HydrophobicContact CD-CG2 3.83Å; K579-V581 HydrophobicContact CG-CG2 3.77Å |
| 582 | P | 32 | Very low | 32.1 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | -99.2 | -162.6 | -10.1 | 36.9 | -22.7 | 0 | 0 | 0 | 110.6 | | |
| 583 | E | 32.4 | Very low | 32.1 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | | | cis | -158.5 | 133.8 | 17.6 | -159.2 | 156.7 | -114 | 0 | 0 | 111.3 | | |
| 584 | P | 33.7 | Very low | 32.2 | Very low | 120 Ų | 120 | 137 Ų | 137 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | -131.3 | 122.7 | 174.7 | 36.2 | -20 | 0 | 0 | 0 | 114.1 | | |
| 585 | D | 35.9 | Very low | 32.7 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 74% | 0.74 | S | S | * | * | | | trans | -104.1 | 137.2 | 178.5 | -102.6 | -22.2 | 0 | 0 | 0 | 115.3 | | |
| 586 | E | 36.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 138.5 Ų | 138.5 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | | | trans | 1.4 | 121.1 | 155.9 | -48.7 | -165.7 | 138.1 | 0 | 0 | 118.5 | | |
| 587 | K | 36.7 | Very low | 32.6 | Very low | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | | -172.4 | 145.6 | 57 | -97.6 | 115.1 | -179.1 | 155.6 | 0 | 111.5 | | |
| 588 | A | 32.4 | Very low | 32.2 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | | | trans | -99.4 | 145.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 589 | P | 35.2 | Very low | 32 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 75% | 0.748 | S | S | * | * | | | | -124.1 | 150.3 | 102.7 | 0.4 | 21.3 | 0 | 0 | 0 | 111 | | |
| 590 | L | 29 | Very low | 32.2 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | | 64 | 108.7 | 57.2 | -67.7 | 170.7 | 0 | 0 | 0 | 115.3 | | |
| 591 | K | 26.8 | Very low | 32.3 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | | | | 36.3 | 117.8 | 130 | -53.7 | 175.9 | -174.3 | 176.6 | 0 | 118.9 | | |
| 592 | T | 34.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | | -133 | 139.9 | 124.6 | 52.3 | 0 | 0 | 0 | 0 | 108 | | |
| 593 | S | 28.7 | Very low | 32.3 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | cis | 85.6 | 89.2 | 19.2 | 87 | 0 | 0 | 0 | 0 | 116.3 | | |
| 594 | F | 29.8 | Very low | 32.4 | Very low | 202 Ų | 202 | 143.8 Ų | 143.8 | 89% | 0.886 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -120.1 | 127.8 | 143.8 | -85 | -97.9 | 0 | 0 | 0 | 106.2 | | |
| 595 | T | 37.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 144.4 Ų | 144.4 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | cis | -133.8 | 167.9 | 4.8 | 38.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 596 | H | 32.9 | Very low | 32.6 | Very low | 162 Ų | 162 | 142 Ų | 142 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | -34 | 140.4 | 161.8 | -80.8 | -115 | 0 | 0 | 0 | 114.3 | | |
| 597 | V | 27.9 | Very low | 32.3 | Very low | 124 Ų | 124 | 144 Ų | 144 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | | | | 65.7 | 118.1 | 61.5 | 174.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 598 | S | 29.3 | Very low | 32 | Very low | 91 Ų | 91 | 139.6 Ų | 139.6 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | cis | -160.4 | 152 | 2.3 | 44.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 599 | D | 28.7 | Very low | 31.8 | Very low | 156 Ų | 156 | 143.9 Ų | 143.9 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | trans | 25.2 | 124.5 | 147.2 | -49.4 | -18.9 | 0 | 0 | 0 | 121.1 | | |
| 600 | S | 31.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -152.9 | 112.5 | 147.1 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 601 | E | 34.1 | Very low | 31.5 | Very low | 177 Ų | 177 | 145.5 Ų | 145.5 | 83% | 0.827 | 77% | 0.77 | S | S | * | * | | | trans | 27.5 | 102.7 | 142.1 | -57.1 | -173.7 | 131.3 | 0 | 0 | 122.4 | | |
| 602 | T | 30.2 | Very low | 31.7 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | 67 | 152.9 | 130.6 | 68.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 603 | R | 34.6 | Very low | 31.5 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 77% | 0.767 | S | S | * | * | | | trans | 74.5 | 138 | -178.1 | -55.1 | -176.5 | 176.2 | -173.1 | -1.1 | 112.9 | | |
| 604 | E | 34.9 | Very low | 31.5 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | cis | -119.5 | -164.8 | 6.5 | -69.9 | -171.7 | 141.6 | 0 | 0 | 113.5 | | |
| 605 | T | 34.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -128.6 | -175.1 | -160.9 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 606 | P | 38.4 | Very low | 31.3 | Very low | 102 Ų | 102 | 141.6 Ų | 141.6 | 66% | 0.662 | 75% | 0.746 | S | S | * | * | | | | -131.1 | -132.9 | -61.1 | 41.1 | -24.6 | 0 | 0 | 0 | 111.7 | | |
| 607 | F | 31 | Very low | 31.5 | Very low | 181 Ų | 181 | 136.2 Ų | 136.2 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | | | trans | 84.4 | 88.9 | -176.3 | -60.5 | -77.8 | 0 | 0 | 0 | 115 | | |
| 608 | S | 29.5 | Very low | 31.6 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 57% | 0.566 | 71% | 0.705 | S | S | * | * | | | | 65.5 | 130.7 | 72.6 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 609 | F | 28.7 | Very low | 31.9 | Very low | 178 Ų | 178 | 134.1 Ų | 134.1 | 78% | 0.781 | 70% | 0.703 | S | S | * | * | | | cis | -151.2 | 164 | 40.4 | -103.8 | -83.4 | 0 | 0 | 0 | 113.9 | | |
| 610 | Q | 33 | Very low | 32.2 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 86% | 0.86 | 70% | 0.699 | S | S | * | * | | | trans | 65.4 | 137.1 | 158.8 | -70.8 | 167.2 | -2.2 | 0 | 0 | 117.1 | | |
| 611 | S | 25.6 | Very low | 32.4 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | cis | -152.5 | 158.7 | 4.7 | 57.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 612 | D | 29.9 | Very low | 32.5 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 77% | 0.765 | 69% | 0.694 | S | S | * | * | | | trans | -163.4 | 155.5 | 149.5 | -102.2 | -19.1 | 0 | 0 | 0 | 115.7 | | |
| 613 | Y | 30.8 | Very low | 32.8 | Very low | 189 Ų | 189 | 131.3 Ų | 131.3 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | | | trans | -25 | 151.3 | 176.3 | -57.2 | -94.6 | 0 | 0 | 0 | 120 | | |
| 614 | G | 29.9 | Very low | 32.7 | Very low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 68% | 0.684 | S | S | * | * | | | cis | 134.9 | 155.1 | 18.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 615 | R | 33.6 | Very low | 32.7 | Very low | 192 Ų | 192 | 127 Ų | 127 | 73% | 0.725 | 68% | 0.677 | S | S | * | * | | | trans | 170.7 | 102.3 | 154.6 | -97.1 | 165.8 | 178.5 | -122.3 | -3.3 | 118.3 | S237 | S237-R615 PolarHBondContact OG-NH1 3.23Å; S237-R615 VanDerWaalsContact OG-NH1 3.09Å |
| 616 | A | 28.7 | Very low | 32.8 | Very low | 55 Ų | 55 | 129.6 Ų | 129.6 | 46% | 0.455 | 68% | 0.68 | S | S | . | * | | | | 70.9 | 163.9 | 126.6 | 0 | 0 | 0 | 0 | 0 | 127.7 | S946 G947 | A616-S946 WeakPolarHBondContact CB-O 3.36Å; A616-G947 VanDerWaalsContact C-CA 3.46Å; A616-G947 VanDerWaalsContact O-CA 3.23Å; A616-G947 WeakPolarHBondContact O-CA 3.42Å |
| 617 | P | 36.7 | Very low | 32.7 | Very low | 49 Ų | 49 | 128.5 Ų | 128.5 | 32% | 0.318 | 69% | 0.687 | S | S | . | * | | | trans | -109.2 | -159.6 | -175.5 | 42.3 | -43.7 | 0 | 0 | 0 | 122.8 | Y233 S234 G235 V944 S946 G947 | Y233-P617 CarbonylContact O-C 3.33Å; Y233-P617 WeakPolarHBondContact O-CA 3Å; Y233-P617 VanDerWaalsContact O-CB 3.3Å; Y233-P617 WeakPolarHBondContact O-CB 3.16Å; S234-P617 CarbonylContact C-O 3.52Å; S234-P617 VanDerWaalsContact C-O 3.3Å; S234-P617 WeakPolarHBondContact CA-O 3.31Å; G235-P617 PolarHBondContact N-O 3.39Å; P617-V944 HydrophobicContact CG-CG1 3.88Å; P617-S946 CarbonylContact O-C 3.08Å; P617-S946 WeakPolarHBondContact O-CA 3.29Å; P617-S946 WeakPolarHBondContact O-CB 3.28Å; P617-S946 PolarHBondContact O-OG 3Å; P617-G947 PolarHBondContact O-N 3.4Å |
| 618 | S | 31 | Very low | 33 | Very low | 44 Ų | 44 | 131.4 Ų | 131.4 | 31% | 0.308 | 69% | 0.693 | S | S | . | * | | | trans | 38.1 | 122.2 | -176.2 | 77.3 | 0 | 0 | 0 | 0 | 128.2 | Y233 S234 G235 S946 | Y233-S618 PolarHBondContact O-N 2.67Å; S234-S618 CarbonylContact C-O 3.15Å; S234-S618 VanDerWaalsContact C-O 3.3Å; S234-S618 CarbonylContact O-C 3.28Å; S234-S618 VanDerWaalsContact O-C 3.23Å; G235-S618 CarbonylContact C-O 3.23Å; G235-S618 WeakPolarHBondContact CA-O 3.47Å; G235-S618 PolarHBondContact N-O 2.99Å; G235-S618 VanDerWaalsContact O-O 3.13Å; S618-S946 WeakPolarHBondContact OG-CB 3.22Å; S618-S946 PolarHBondContact OG-OG 3.18Å |
| 619 | Q | 35.1 | Very low | 33.3 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | | | trans | 89.2 | 131.7 | 162.1 | -59.8 | -179.8 | -3.1 | 0 | 0 | 123.4 | S234 G235 | S234-Q619 VanDerWaalsContact C-N 3.31Å; S234-Q619 CarbonylContact C-O 3.56Å; S234-Q619 CarbonylContact O-C 3.52Å; S234-Q619 WeakPolarHBondContact O-CA 3.22Å; S234-Q619 PolarHBondContact O-N 3.03Å; G235-Q619 WeakPolarHBondContact CA-O 3.39Å |
| 620 | I | 34.4 | Very low | 33.6 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | | | | -147.2 | 136.3 | 50.2 | -67.8 | 165.2 | 0 | 0 | 0 | 113.7 | | |
| 621 | E | 35.9 | Very low | 33.6 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 86% | 0.855 | 71% | 0.711 | S | S | * | * | | | | -161.1 | 144.4 | 121.5 | -163.8 | 157.5 | -132.8 | 0 | 0 | 109.8 | | |
| 622 | N | 37.3 | Very low | 34.1 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | trans | -143.7 | 165.3 | -173.5 | -69.4 | -53.7 | 0 | 0 | 0 | 108.4 | | |
| 623 | G | 36.2 | Very low | 34.1 | Very low | 58 Ų | 58 | 136 Ų | 136 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | | | cis | 160.1 | -161.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 624 | F | 31.9 | Very low | 34.2 | Very low | 191 Ų | 191 | 133.1 Ų | 133.1 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | | | trans | 71.4 | 144.3 | 176.2 | -60.2 | -96.7 | 0 | 0 | 0 | 115.6 | | |
| 625 | D | 35 | Very low | 34.3 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | | | cis | -148.7 | -173.9 | 7.2 | -133.6 | -25.7 | 0 | 0 | 0 | 115.7 | | |
| 626 | E | 35.8 | Very low | 34.1 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | | | trans | -37 | 158.9 | -175.9 | -45.8 | -170.6 | 115.5 | 0 | 0 | 120.8 | | |
| 627 | G | 36.7 | Very low | 34.3 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 74% | 0.736 | S | S | * | * | | | trans | 162.9 | 112.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 628 | R | 36.4 | Very low | 34 | Very low | 242 Ų | 242 | 141.6 Ų | 141.6 | 91% | 0.913 | 73% | 0.733 | S | S | * | * | | | trans | -68.8 | 140.2 | -173.3 | -61.3 | 167.7 | 173.7 | -176.7 | -1 | 117.5 | | |
| 629 | K | 37 | Very low | 34.6 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | | | trans | 52.9 | 118.3 | 139.6 | -67.9 | -173.8 | 175.8 | -175.6 | 0 | 121.9 | | |
| 630 | N | 34.1 | Very low | 34.4 | Very low | 154 Ų | 154 | 153 Ų | 153 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 35.1 | 97.8 | 136.8 | -59.8 | 22.1 | 0 | 0 | 0 | 120.4 | | |
| 631 | L | 34.6 | Very low | 34.5 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 94% | 0.937 | 77% | 0.769 | S | S | * | * | | | | -161.5 | 157.8 | 116.8 | -113.3 | 146.5 | 0 | 0 | 0 | 109.3 | | |
| 632 | A | 34.2 | Very low | 34.4 | Very low | 85 Ų | 85 | 150.4 Ų | 150.4 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | trans | -104.3 | 124.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 633 | Q | 31.8 | Very low | 34.2 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -165.8 | 105.9 | 153.2 | -114.8 | 173 | -37.9 | 0 | 0 | 111.6 | | |
| 634 | D | 32.8 | Very low | 33.8 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | | | trans | 37.7 | 102.2 | 132.6 | -43.3 | -16 | 0 | 0 | 0 | 119.9 | | |
| 635 | D | 31 | Very low | 33.8 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | | 55.2 | 175.7 | 117.4 | -65.9 | -11.8 | 0 | 0 | 0 | 123.1 | | |
| 636 | Y | 29.7 | Very low | 33.5 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 74% | 0.737 | 78% | 0.784 | S | S | * | * | | | trans | 79.6 | 62.6 | 167.2 | -61.5 | -84.5 | 0 | 0 | 0 | 119.2 | A638 | Y636-A638 HydrophobicContact CD1-CB 3.83Å; Y636-A638 HydrophobicContact CG-CB 4.4Å |
| 637 | M | 32.1 | Very low | 33.1 | Very low | 180 Ų | 180 | 147.6 Ų | 147.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | | -104.1 | 105.5 | 104.8 | -72.5 | -67.9 | -71.1 | 0 | 0 | 106.3 | | |
| 638 | A | 32 | Very low | 32.8 | Very low | 30 Ų | 30 | 148.8 Ų | 148.8 | 25% | 0.248 | 78% | 0.784 | C | S | . | * | | | cis | 59.8 | 96.3 | 32 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y636 | Y636-A638 HydrophobicContact CD1-CB 3.83Å; Y636-A638 HydrophobicContact CG-CB 4.4Å |
| 639 | M | 42.4 | Very low | 32.2 | Very low | 194 Ų | 194 | 141.6 Ų | 141.6 | 96% | 0.956 | 78% | 0.777 | S | S | * | * | S | Bend | | -63.9 | 119.2 | 119.5 | -71.2 | -70.1 | -79 | 0 | 0 | 105.8 | | |
| 640 | R | 30.6 | Very low | 31.8 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 82% | 0.815 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -58 | 156.8 | 174.1 | -75.2 | -176 | 175.1 | -170.6 | -1.8 | 110.4 | | |
| 641 | P | 37.2 | Very low | 31.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | | | cis | -133.8 | 173.3 | 12.2 | 39.5 | -21.7 | 0 | 0 | 0 | 116.6 | | |
| 642 | E | 32.8 | Very low | 31.2 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 23.2 | 135.5 | 138.2 | -60.7 | 140.8 | -137.9 | 0 | 0 | 121.6 | | |
| 643 | G | 33.1 | Very low | 30.8 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | trans | -178.9 | 58.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 644 | V | 28.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | -90.6 | 131 | -169.8 | -160.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 645 | T | 31.4 | Very low | 31 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | | 155.1 | 127.1 | 123 | 45.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 646 | K | 28.9 | Very low | 31.1 | Very low | 189 Ų | 189 | 128.4 Ų | 128.4 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | | | trans | 37.4 | 122.1 | 131 | -57.3 | -179.8 | 179.6 | 176.2 | 0 | 122.1 | | |
| 647 | S | 26.4 | Very low | 31.2 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | | | trans | 63.9 | 101.6 | 132.3 | 65.7 | 0 | 0 | 0 | 0 | 121.4 | | |
| 648 | A | 31.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 126.8 Ų | 126.8 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | trans | -156.7 | 162 | 135 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 649 | A | 23.6 | Very low | 31.1 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | -88.2 | 179.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 650 | P | 28.6 | Very low | 30.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 77% | 0.771 | S | S | * | * | | | cis | -138.7 | -144.6 | 10.2 | 44.3 | -23.4 | 0 | 0 | 0 | 112.7 | | |
| 651 | A | 31.1 | Very low | 30.4 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 65.7 | 114.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 652 | A | 24.9 | Very low | 30 | Very low | 94 Ų | 94 | 132.8 Ų | 132.8 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | | | cis | 70.7 | 116.8 | 46.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 653 | S | 25.6 | Very low | 29.9 | Very low | 78 Ų | 78 | 132.9 Ų | 132.9 | 55% | 0.545 | 78% | 0.777 | S | S | . | * | | | trans | 66.6 | 108.1 | 133.6 | 173.8 | 0 | 0 | 0 | 0 | 119.3 | T656 | S653-T656 WeakPolarHBondContact OG-CG2 3.46Š|
| 654 | L | 34.6 | Very low | 30.2 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | S | Bend | | -167 | 114.4 | 114.6 | -94.1 | 148.8 | 0 | 0 | 0 | 106.2 | | |
| 655 | I | 33.4 | Very low | 30.2 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | S | Bend | cis | -132.5 | 96.6 | 9.9 | -75.5 | 169.3 | 0 | 0 | 0 | 106.4 | | |
| 656 | T | 34.1 | Very low | 30 | Very low | 84 Ų | 84 | 137 Ų | 137 | 52% | 0.515 | 76% | 0.763 | S | S | . | * | | | | 65.5 | 134.1 | 95.6 | 62.1 | 0 | 0 | 0 | 0 | 114.7 | S653 | S653-T656 WeakPolarHBondContact OG-CG2 3.46Š|
| 657 | Q | 31.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 76% | 0.761 | S | S | * | * | | | cis | -131.5 | 138.9 | 17.9 | -67.5 | 176.7 | -28.8 | 0 | 0 | 110.8 | | |
| 658 | Q | 32.6 | Very low | 30 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | | 42.7 | 122.5 | 104.8 | -60.2 | 178.9 | -80.6 | 0 | 0 | 114.3 | | |
| 659 | E | 29.5 | Very low | 29.7 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | | | cis | 58.2 | 98.9 | 21 | -168.1 | 171.4 | -138.4 | 0 | 0 | 115.9 | | |
| 660 | E | 31.3 | Very low | 30 | Very low | 193 Ų | 193 | 136.7 Ų | 136.7 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | | -156.8 | -179.5 | 120 | -126.5 | 179.6 | -166.6 | 0 | 0 | 111.1 | | |
| 661 | S | 27.4 | Very low | 29.8 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 76% | 0.756 | S | S | * | * | | | trans | -145.3 | 167.3 | -158.7 | 69.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 662 | K | 28.9 | Very low | 29.8 | Very low | 201 Ų | 201 | 137.3 Ų | 137.3 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | 87.4 | 117.6 | 168.6 | -58.4 | 164.3 | -173.8 | 166.3 | 0 | 117.6 | | |
| 663 | M | 31.5 | Very low | 30 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | | | trans | -71.4 | 179.4 | 156.7 | -47.2 | -171.1 | -66.1 | 0 | 0 | 110.4 | | |
| 664 | P | 39 | Very low | 30.2 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | -136.2 | 160.5 | -2.2 | 37.2 | -19.8 | 0 | 0 | 0 | 116.2 | | |
| 665 | K | 27.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | | | | 161.8 | 136.8 | 118.5 | -95.9 | -172.8 | 174.1 | -163.4 | 0 | 115.3 | | |
| 666 | Q | 28.1 | Very low | 29.5 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 63% | 0.631 | 77% | 0.768 | S | S | * | * | | | | 60.2 | 135.6 | 123.3 | -159.1 | 175.9 | -32 | 0 | 0 | 120.8 | | |
| 667 | E | 27.8 | Very low | 29.3 | Very low | 163 Ų | 163 | 143.1 Ų | 143.1 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 64.9 | 143.7 | 173.3 | -74.8 | 143.1 | -134.5 | 0 | 0 | 116.1 | | |
| 668 | S | 26.6 | Very low | 29.1 | Very low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | cis | -157.3 | 165.7 | -15 | 46.6 | 0 | 0 | 0 | 0 | 110 | | |
| 669 | A | 25.8 | Very low | 28.9 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | | | trans | -70.8 | 158.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 670 | P | 30.8 | Very low | 28.8 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | | -143.9 | -175.1 | 79.2 | 39.2 | -21.3 | 0 | 0 | 0 | 115.8 | | |
| 671 | A | 24.8 | Very low | 28.6 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | | | trans | -89.9 | 164.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 672 | V | 29.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 135.2 Ų | 135.2 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | -140.5 | 114.4 | 143.5 | 177.5 | 0 | 0 | 0 | 0 | 111 | | |
| 673 | N | 30.5 | Very low | 28.8 | Very low | 140 Ų | 140 | 133 Ų | 133 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | | | trans | 29.7 | 121.9 | 147.9 | -53.1 | -15.8 | 0 | 0 | 0 | 122.8 | | |
| 674 | M | 29 | Very low | 28.8 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | | | | 167.8 | 98.1 | 115.4 | -86.3 | -62.2 | -154.8 | 0 | 0 | 107.7 | | |
| 675 | A | 28.9 | Very low | 28.3 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | | 87.2 | 98.3 | 67.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 676 | H | 25.1 | Very low | 28.3 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | 57.9 | 155.1 | 155.4 | -64.5 | -67.9 | 0 | 0 | 0 | 119.5 | | |
| 677 | T | 28 | Very low | 28.6 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 68% | 0.675 | 78% | 0.777 | S | S | * | * | | | cis | -151.4 | 177.7 | 14.8 | -19.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 678 | D | 28.2 | Very low | 29.1 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | trans | 77 | 100.5 | 149.9 | -59.3 | -28 | 0 | 0 | 0 | 123.3 | | |
| 679 | S | 27.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | trans | 72.9 | 147.9 | 142.8 | 76.7 | 0 | 0 | 0 | 0 | 119.3 | | |
| 680 | S | 27.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | | | cis | -142.7 | 156.1 | 2.5 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 681 | T | 28.7 | Very low | 30.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | | | trans | -82.7 | 176.7 | 155.1 | 55.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 682 | E | 29.8 | Very low | 31.9 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | | | cis | -98.5 | -168.2 | -22.2 | -69.6 | 81.7 | -122.6 | 0 | 0 | 108.8 | | |
| 683 | D | 30.6 | Very low | 32.8 | Very low | 154 Ų | 154 | 132.8 Ų | 132.8 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | | | | -155.5 | 123.5 | 56.6 | -89.3 | -39 | 0 | 0 | 0 | 111.5 | | |
| 684 | I | 30.9 | Very low | 33.8 | Very low | 169 Ų | 169 | 130.4 Ų | 130.4 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | | | trans | -121.7 | 112.1 | 157.4 | -64.9 | -177.7 | 0 | 0 | 0 | 107.7 | A686 | I684-A686 PolarHBondContact O-N 3.19Š|
| 685 | N | 27.6 | Very low | 34.4 | Very low | 150 Ų | 150 | 124.9 Ų | 124.9 | 80% | 0.802 | 72% | 0.717 | S | S | * | * | | | trans | -42 | 119.7 | -172.8 | -68.3 | -71.8 | 0 | 0 | 0 | 114.8 | | |
| 686 | A | 27.7 | Very low | 35.9 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 72% | 0.717 | S | S | * | * | | | trans | -135 | 115.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | I684 | I684-A686 PolarHBondContact O-N 3.19Š|
| 687 | L | 35.4 | Very low | 37.4 | Very low | 167 Ų | 167 | 120.6 Ų | 120.6 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | | | trans | 55.5 | 84.4 | 159 | -66.8 | 158.1 | 0 | 0 | 0 | 117.3 | L689 | L687-L689 PolarHBondContact O-N 3.31Š|
| 688 | F | 37.2 | Very low | 38.4 | Very low | 181 Ų | 181 | 119.9 Ų | 119.9 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | | | trans | -60.8 | 114.6 | 160.9 | -81.7 | -95.1 | 0 | 0 | 0 | 111.5 | | |
| 689 | L | 36.2 | Very low | 39.6 | Very low | 134 Ų | 134 | 118.4 Ų | 118.4 | 70% | 0.702 | 67% | 0.672 | S | S | * | * | | | trans | -98.7 | 131.3 | 158.8 | -75.5 | 170.4 | 0 | 0 | 0 | 109.4 | L687 | L687-L689 PolarHBondContact O-N 3.31Š|
| 690 | P | 46.2 | Very low | 41.1 | Very low | 102 Ų | 102 | 114.8 Ų | 114.8 | 66% | 0.662 | 65% | 0.65 | S | S | * | * | | | trans | -67.2 | 158.4 | -173.7 | 25.2 | -33.3 | 0 | 0 | 0 | 113.8 | L692 | P690-L692 PolarHBondContact O-N 3.18Š|
| 691 | N | 39.7 | Very low | 42.5 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 66% | 0.658 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -66 | 21.3 | -159.7 | -75.3 | -49.3 | 0 | 0 | 0 | 118.6 | A693 R698 | N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.5Å; N691-R698 PolarHBondContact O-NH2 2.87Å; N691-R698 PolarHBondContact OD1-NH1 3.48Å |
| 692 | L | 46.2 | Very low | 43.3 | Very low | 172 Ų | 172 | 110.7 Ų | 110.7 | 90% | 0.901 | 62% | 0.619 | S | S | * | * | | | trans | -77.9 | 4.5 | -168.4 | -74.7 | 168.5 | 0 | 0 | 0 | 116.7 | P690 | P690-L692 PolarHBondContact O-N 3.18Š|
| 693 | A | 47.2 | Very low | 44.5 | Very low | 28 Ų | 28 | 111.9 Ų | 111.9 | 23% | 0.231 | 62% | 0.617 | C | S | . | * | S | Bend | trans | -125.7 | 145.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N691 V697 R698 | N691-A693 VanDerWaalsContact C-N 3.3Å; N691-A693 PolarHBondContact O-N 3.5Å; A693-V697 HydrophobicContact CB-CB 4.18Å; A693-V697 HydrophobicContact CB-CG1 4.02Å; A693-R698 HydrophobicContact CB-CG 4.36Å; A693-R698 VanDerWaalsContact O-CZ 3.25Å; A693-R698 PolarHBondContact O-NE 3.06Å; A693-R698 PolarHBondContact O-NH2 3.41Å |
| 694 | P | 52.7 | Low | 45.8 | Very low | 90 Ų | 90 | 110.4 Ų | 110.4 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | | | trans | -64.8 | 154.3 | 176.8 | 27.8 | -34.4 | 0 | 0 | 0 | 111.5 | P696 V697 R698 | P694-P696 VanDerWaalsContact C-CD 3.43Å; P694-P696 VanDerWaalsContact O-N 3.16Å; P694-V697 HydrophobicContact CG-CB 4.46Å; P694-V697 HydrophobicContact CG-CG2 3.96Å; P694-V697 PolarHBondContact O-N 3.01Å; P694-R698 PolarHBondContact O-N 2.89Å |
| 695 | A | 42 | Very low | 46.9 | Very low | 65 Ų | 65 | 108 Ų | 108 | 54% | 0.537 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -52.1 | -39.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | V697 R698 M699 | A695-V697 VanDerWaalsContact C-N 3.31Å; A695-V697 PolarHBondContact O-N 3.37Å; A695-R698 PolarHBondContact O-N 3.47Å; A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 2.91Å |
| 696 | P | 59.3 | Low | 47.8 | Very low | 100 Ų | 100 | 107.8 Ų | 107.8 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.2 | -35.4 | 176.5 | -23.9 | 35.4 | 0 | 0 | 0 | 113.5 | P694 M699 A700 | P694-P696 VanDerWaalsContact C-CD 3.43Å; P694-P696 VanDerWaalsContact O-N 3.16Å; P696-M699 PolarHBondContact O-N 3.35Å; P696-A700 WeakPolarHBondContact O-CB 3.45Å; P696-A700 PolarHBondContact O-N 3.01Å |
| 697 | V | 56.7 | Low | 48.4 | Very low | 68 Ų | 68 | 105.7 Ų | 105.7 | 41% | 0.412 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.3 | -39.2 | 179.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | A693 P694 A695 A700 I701 | A693-V697 HydrophobicContact CB-CB 4.18Å; A693-V697 HydrophobicContact CB-CG1 4.02Å; P694-V697 HydrophobicContact CG-CB 4.46Å; P694-V697 HydrophobicContact CG-CG2 3.96Å; P694-V697 PolarHBondContact O-N 3.01Å; A695-V697 VanDerWaalsContact C-N 3.31Å; A695-V697 PolarHBondContact O-N 3.37Å; V697-A700 PolarHBondContact O-N 2.95Å; V697-I701 HydrophobicContact CG1-CD1 3.9Å; V697-I701 WeakPolarHBondContact O-CB 3.34Å; V697-I701 VanDerWaalsContact O-CG1 3.3Å; V697-I701 WeakPolarHBondContact O-CG1 3.14Å; V697-I701 PolarHBondContact O-N 3.32Å |
| 698 | R | 49.5 | Very low | 48.6 | Very low | 94 Ų | 94 | 106 Ų | 106 | 36% | 0.355 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.3 | -44.7 | 171 | -83.7 | -178 | -85.1 | 173 | -17.1 | 112.1 | N691 A693 P694 A695 A700 I701 S702 | N691-R698 PolarHBondContact O-NH2 2.87Å; N691-R698 PolarHBondContact OD1-NH1 3.48Å; A693-R698 HydrophobicContact CB-CG 4.36Å; A693-R698 VanDerWaalsContact O-CZ 3.25Å; A693-R698 PolarHBondContact O-NE 3.06Å; A693-R698 PolarHBondContact O-NH2 3.41Å; P694-R698 PolarHBondContact O-N 2.89Å; A695-R698 PolarHBondContact O-N 3.47Å; R698-A700 VanDerWaalsContact C-N 3.31Å; R698-A700 PolarHBondContact O-N 2.91Å; R698-I701 PolarHBondContact O-N 3.36Å; R698-S702 WeakPolarHBondContact O-CB 3.49Å; R698-S702 PolarHBondContact O-N 3.37Å; R698-S702 PolarHBondContact O-OG 3.15Å |
| 699 | M | 53.6 | Low | 48.5 | Very low | 104 Ų | 104 | 100.2 Ų | 100.2 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.2 | -38.8 | 174.2 | -74.6 | -68 | -71.2 | 0 | 0 | 112.6 | A695 P696 R703 | A695-M699 WeakPolarHBondContact O-CG 3.33Å; A695-M699 PolarHBondContact O-N 2.91Å; P696-M699 PolarHBondContact O-N 3.35Å; M699-R703 VanDerWaalsContact O-CB 3.32Å; M699-R703 WeakPolarHBondContact O-CB 3.46Å; M699-R703 WeakPolarHBondContact O-CG 3.14Å; M699-R703 PolarHBondContact O-N 3.49Å |
| 700 | A | 58.2 | Low | 48.4 | Very low | 47 Ų | 47 | 100.5 Ų | 100.5 | 39% | 0.388 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.3 | -48.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | P696 V697 R698 R703 I704 | P696-A700 WeakPolarHBondContact O-CB 3.45Å; P696-A700 PolarHBondContact O-N 3.01Å; V697-A700 PolarHBondContact O-N 2.95Å; R698-A700 VanDerWaalsContact C-N 3.31Å; R698-A700 PolarHBondContact O-N 2.91Å; A700-R703 PolarHBondContact O-N 3.4Å; A700-I704 WeakPolarHBondContact O-CD1 3.26Å; A700-I704 VanDerWaalsContact O-CG1 3.27Å; A700-I704 WeakPolarHBondContact O-CG1 3.39Å; A700-I704 PolarHBondContact O-N 2.85Å |
| 701 | I | 57.1 | Low | 47.8 | Very low | 74 Ų | 74 | 104 Ų | 104 | 38% | 0.379 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -62 | -45.2 | 178.1 | -69.5 | 167.2 | 0 | 0 | 0 | 111.1 | V697 R698 R703 I704 I705 | V697-I701 HydrophobicContact CG1-CD1 3.9Å; V697-I701 WeakPolarHBondContact O-CB 3.34Å; V697-I701 VanDerWaalsContact O-CG1 3.3Å; V697-I701 WeakPolarHBondContact O-CG1 3.14Å; V697-I701 PolarHBondContact O-N 3.32Å; R698-I701 PolarHBondContact O-N 3.36Å; I701-R703 VanDerWaalsContact C-N 3.33Å; I701-R703 PolarHBondContact O-N 3.17Å; I701-I704 PolarHBondContact O-N 3.07Å; I701-I704 VanDerWaalsContact O-N 3.15Å; I701-I705 HydrophobicContact CG2-CD1 3.66Å; I701-I705 HydrophobicContact CG2-CG1 4.37Å; I701-I705 WeakPolarHBondContact O-CG1 3.41Å; I701-I705 PolarHBondContact O-N 3.18Å |
| 702 | S | 46.6 | Very low | 47.3 | Very low | 61 Ų | 61 | 104.7 Ų | 104.7 | 43% | 0.427 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.7 | -40.2 | 174.7 | -64.4 | 0 | 0 | 0 | 0 | 112.2 | R698 I704 I705 L706 | R698-S702 WeakPolarHBondContact O-CB 3.49Å; R698-S702 PolarHBondContact O-N 3.37Å; R698-S702 PolarHBondContact O-OG 3.15Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.47Å; S702-I705 PolarHBondContact O-N 2.86Å; S702-L706 VanDerWaalsContact O-CB 3.28Å; S702-L706 WeakPolarHBondContact O-CB 3.33Å; S702-L706 WeakPolarHBondContact O-CG 3.37Å; S702-L706 PolarHBondContact O-N 2.89Å |
| 703 | R | 53.9 | Low | 46.6 | Very low | 179 Ų | 179 | 101.7 Ų | 101.7 | 68% | 0.675 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.3 | -24.7 | 175 | -75.2 | 173 | 177.1 | -170.6 | -2 | 114 | M699 A700 I701 G707 | M699-R703 VanDerWaalsContact O-CB 3.32Å; M699-R703 WeakPolarHBondContact O-CB 3.46Å; M699-R703 WeakPolarHBondContact O-CG 3.14Å; M699-R703 PolarHBondContact O-N 3.49Å; A700-R703 PolarHBondContact O-N 3.4Å; I701-R703 VanDerWaalsContact C-N 3.33Å; I701-R703 PolarHBondContact O-N 3.17Å; R703-G707 WeakPolarHBondContact O-CA 3.28Å; R703-G707 PolarHBondContact O-N 3.36Å |
| 704 | I | 58.7 | Low | 45.8 | Very low | 124 Ų | 124 | 109.1 Ų | 109.1 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.9 | -44 | 172.8 | -70 | 161.9 | 0 | 0 | 0 | 110 | A700 I701 S702 G707 | A700-I704 WeakPolarHBondContact O-CD1 3.26Å; A700-I704 VanDerWaalsContact O-CG1 3.27Å; A700-I704 WeakPolarHBondContact O-CG1 3.39Å; A700-I704 PolarHBondContact O-N 2.85Å; I701-I704 PolarHBondContact O-N 3.07Å; I701-I704 VanDerWaalsContact O-N 3.15Å; S702-I704 VanDerWaalsContact C-N 3.33Å; S702-I704 PolarHBondContact O-N 3.47Å; I704-G707 PolarHBondContact O-N 3.01Å; I704-G707 VanDerWaalsContact O-N 3.14Å |
| 705 | I | 53.2 | Low | 44.7 | Very low | 117 Ų | 117 | 111.9 Ų | 111.9 | 60% | 0.6 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | 179.1 | -68.4 | 171.5 | 0 | 0 | 0 | 111.6 | I701 S702 G707 | I701-I705 HydrophobicContact CG2-CD1 3.66Å; I701-I705 HydrophobicContact CG2-CG1 4.37Å; I701-I705 WeakPolarHBondContact O-CG1 3.41Å; I701-I705 PolarHBondContact O-N 3.18Å; S702-I705 PolarHBondContact O-N 2.86Å; I705-G707 VanDerWaalsContact C-N 3.27Å |
| 706 | L | 46.9 | Very low | 44.1 | Very low | 146 Ų | 146 | 112.9 Ų | 112.9 | 76% | 0.764 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -0.1 | 172.9 | -61.9 | 169 | 0 | 0 | 0 | 112.8 | S702 | S702-L706 VanDerWaalsContact O-CB 3.28Å; S702-L706 WeakPolarHBondContact O-CB 3.33Å; S702-L706 WeakPolarHBondContact O-CG 3.37Å; S702-L706 PolarHBondContact O-N 2.89Å |
| 707 | G | 40 | Very low | 42.6 | Very low | 44 Ų | 44 | 113 Ų | 113 | 45% | 0.454 | 64% | 0.642 | S | S | . | * | | | trans | -86.8 | -12.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R703 I704 I705 G709 | R703-G707 WeakPolarHBondContact O-CA 3.28Å; R703-G707 PolarHBondContact O-N 3.36Å; I704-G707 PolarHBondContact O-N 3.01Å; I704-G707 VanDerWaalsContact O-N 3.14Å; I705-G707 VanDerWaalsContact C-N 3.27Å; G707-G709 PolarHBondContact O-N 3.2Å |
| 708 | L | 39.7 | Very low | 41.5 | Very low | 174 Ų | 174 | 114.9 Ų | 114.9 | 91% | 0.911 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 56.3 | 173.4 | -81.3 | 164.2 | 0 | 0 | 0 | 111.1 | | |
| 709 | G | 35.3 | Very low | 40.5 | Very low | 58 Ų | 58 | 115.4 Ų | 115.4 | 60% | 0.598 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.9 | 9.7 | -162.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | G707 | G707-G709 PolarHBondContact O-N 3.2Š|
| 710 | T | 34.1 | Very low | 39.6 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 87% | 0.865 | 70% | 0.695 | S | S | * | * | | | trans | -171.7 | 137.7 | 155.2 | 12.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 711 | Q | 34.5 | Very low | 38.3 | Very low | 176 Ų | 176 | 121.6 Ų | 121.6 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | | | trans | -89.4 | 148.8 | 160.3 | -69.6 | 177.7 | -29.1 | 0 | 0 | 110 | | |
| 712 | T | 28.8 | Very low | 37.1 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 83% | 0.834 | 74% | 0.736 | S | S | * | * | | | trans | 42.3 | 86.9 | 147.4 | 57.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 713 | S | 31.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | | | trans | -166.4 | 131.2 | 131.5 | 43.9 | 0 | 0 | 0 | 0 | 106.9 | | |
| 714 | Q | 29.2 | Very low | 35.3 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | | | cis | 44.8 | 66.6 | 33.7 | -77 | -151.9 | 18.9 | 0 | 0 | 112.5 | | |
| 715 | Q | 30.9 | Very low | 34 | Very low | 148 Ų | 148 | 130.7 Ų | 130.7 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | | | | -169.7 | 127.8 | 101.7 | -99 | 165.2 | 6 | 0 | 0 | 112.5 | T717 | Q715-T717 HydrophobicContact CB-CG2 4.04Å; Q715-T717 HydrophobicContact CG-CG2 4.45Å; Q715-T717 PolarHBondContact O-N 3.05Å |
| 716 | G | 28.4 | Very low | 32.9 | Very low | 86 Ų | 86 | 130.8 Ų | 130.8 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -75.4 | 85.2 | 144 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 717 | T | 29.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 64% | 0.638 | 77% | 0.77 | S | S | * | * | | | trans | -68.7 | 158 | 172 | 15.6 | 0 | 0 | 0 | 0 | 110.4 | Q715 | Q715-T717 HydrophobicContact CB-CG2 4.04Å; Q715-T717 HydrophobicContact CG-CG2 4.45Å; Q715-T717 PolarHBondContact O-N 3.05Å |
| 718 | P | 32.6 | Very low | 32.1 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | | | | -104.9 | 165.6 | -129.2 | 38 | -39.5 | 0 | 0 | 0 | 115.3 | K720 | P718-K720 PolarHBondContact O-N 3.14Š|
| 719 | A | 27.9 | Very low | 32 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -65.6 | 97.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 720 | K | 35 | Very low | 31.8 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | | | trans | -61 | 153.9 | 143.2 | -75.2 | -179.1 | 177 | 179.3 | 0 | 109 | P718 | P718-K720 PolarHBondContact O-N 3.14Š|
| 721 | A | 30.9 | Very low | 31.8 | Very low | 86 Ų | 86 | 140 Ų | 140 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | | | cis | -166.3 | 136.1 | -23.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 722 | Q | 31.8 | Very low | 31.6 | Very low | 195 Ų | 195 | 139 Ų | 139 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -126.3 | 142.1 | 141.2 | -69 | -172.6 | -45.3 | 0 | 0 | 105.1 | | |
| 723 | G | 29.5 | Very low | 31.8 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | | 77.6 | 106.6 | 96.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 724 | E | 32.5 | Very low | 32 | Very low | 189 Ų | 189 | 141.2 Ų | 141.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | | | cis | -141.3 | 164.4 | 29.3 | -73 | 166.3 | 138 | 0 | 0 | 115.3 | | |
| 725 | Q | 31.7 | Very low | 32.5 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | trans | -5 | 125.6 | 165.1 | -64.5 | 175.1 | -26.4 | 0 | 0 | 120.7 | | |
| 726 | P | 30.1 | Very low | 32.8 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 154.2 | 130.3 | 36.4 | -34.2 | 0 | 0 | 0 | 109.9 | | |
| 727 | P | 39.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | | | | -140 | 172.1 | 92.5 | 35.6 | -19.1 | 0 | 0 | 0 | 111.5 | | |
| 728 | Y | 31.2 | Very low | 33 | Very low | 196 Ų | 196 | 148.8 Ų | 148.8 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | cis | -131.6 | -173.3 | 21.7 | -87.2 | -90.9 | 0 | 0 | 0 | 109.4 | | |
| 729 | E | 36.8 | Very low | 32.9 | Very low | 160 Ų | 160 | 147.2 Ų | 147.2 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | cis | -160.6 | 137.1 | 21.1 | -157.5 | 162 | -115.1 | 0 | 0 | 112.6 | | |
| 730 | K | 31.2 | Very low | 33.6 | Very low | 196 Ų | 196 | 147.5 Ų | 147.5 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | 174.3 | 87.3 | 130.9 | -97.6 | 164.9 | -177 | 171.3 | 0 | 112.5 | | |
| 731 | T | 33.9 | Very low | 33.3 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -139.3 | 127.2 | 153.7 | 38.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 732 | D | 30.1 | Very low | 33.5 | Very low | 153 Ų | 153 | 148.4 Ų | 148.4 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | | | trans | 68.8 | 155.2 | 160.7 | -48.9 | -40.1 | 0 | 0 | 0 | 119.2 | | |
| 733 | D | 35 | Very low | 33.6 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | | | trans | 52.6 | 117.9 | -171.5 | -69 | -19.7 | 0 | 0 | 0 | 117 | | |
| 734 | Q | 33.8 | Very low | 33.9 | Very low | 154 Ų | 154 | 145.2 Ų | 145.2 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | | | | 57.1 | 132.9 | 73 | -62.6 | -160.8 | 30.2 | 0 | 0 | 112.7 | | |
| 735 | K | 40.9 | Very low | 33.6 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | S | Bend | cis | -126.7 | 173.6 | 31.6 | -69 | 154.4 | -170.8 | 165.8 | 0 | 112.2 | | |
| 736 | F | 36.9 | Very low | 33.8 | Very low | 208 Ų | 208 | 137 Ų | 137 | 91% | 0.912 | 75% | 0.749 | S | S | * | * | | | trans | 69.4 | 63.5 | -174.2 | -60.1 | -81.8 | 0 | 0 | 0 | 115.2 | | |
| 737 | T | 30.9 | Very low | 34.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | | | trans | -64.8 | 146.1 | 152.2 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 738 | Q | 30 | Very low | 33.5 | Very low | 193 Ų | 193 | 140.6 Ų | 140.6 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | | | trans | 64.4 | 146.1 | 163.3 | -61.3 | 170.4 | -6.3 | 0 | 0 | 117.2 | | |
| 739 | G | 32 | Very low | 33.6 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | cis | 126.7 | 137.6 | -12.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 740 | S | 42.6 | Very low | 33.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -163 | 115.7 | 169.8 | 50.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 741 | K | 29 | Very low | 33.4 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | | | cis | 59.5 | 96.7 | 22.3 | -113.2 | -173.9 | -176.1 | -176.5 | 0 | 111.9 | V743 | K741-V743 HydrophobicContact CB-CG2 4.11Å; K741-V743 HydrophobicContact CD-CG2 4.14Å; K741-V743 HydrophobicContact CG-CG2 4.03Å |
| 742 | P | 35.2 | Very low | 33.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | | | | -81.4 | 135 | 101.3 | 26.1 | -33.5 | 0 | 0 | 0 | 109.5 | | |
| 743 | V | 33.9 | Very low | 33.5 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 58% | 0.582 | 73% | 0.734 | S | S | * | * | | | cis | 70.2 | 85.2 | 22.3 | -164.8 | 0 | 0 | 0 | 0 | 113.4 | K741 | K741-V743 HydrophobicContact CB-CG2 4.11Å; K741-V743 HydrophobicContact CD-CG2 4.14Å; K741-V743 HydrophobicContact CG-CG2 4.03Å |
| 744 | A | 34.4 | Very low | 33.6 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 85% | 0.851 | 73% | 0.728 | S | S | * | * | | | trans | -170.3 | 39.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 745 | A | 25.8 | Very low | 33.5 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 73% | 0.73 | S | S | * | * | | | | -47.9 | 114.7 | 92.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 746 | D | 37.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 134 Ų | 134 | 56% | 0.556 | 73% | 0.733 | S | S | * | * | | | | -149.5 | 118.7 | 124.8 | -109.1 | 13.3 | 0 | 0 | 0 | 108.5 | | |
| 747 | R | 35.1 | Very low | 32.6 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | | 74.9 | 103.7 | 96.6 | -71.2 | 179.9 | -170.7 | 131.8 | -3.6 | 112.3 | | |
| 748 | T | 27.4 | Very low | 32.8 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | | | | 51.5 | 124.1 | 77 | 69.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 749 | P | 34.3 | Very low | 32.9 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | | | | -93.1 | 137.2 | 113.3 | 32.3 | -30.7 | 0 | 0 | 0 | 109 | | |
| 750 | L | 26.8 | Very low | 32.9 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 72% | 0.718 | S | S | * | * | | | cis | 56.2 | 39 | -4.7 | -66.2 | -175.3 | 0 | 0 | 0 | 117.6 | K752 | L750-K752 VanDerWaalsContact C-N 3.34Š|
| 751 | S | 37.1 | Very low | 32.3 | Very low | 102 Ų | 102 | 135.3 Ų | 135.3 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | | | | -77.6 | 94.7 | 119.3 | 52 | 0 | 0 | 0 | 0 | 106.7 | | |
| 752 | K | 34.7 | Very low | 32.4 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 68% | 0.678 | 70% | 0.696 | S | S | * | * | | | | 71.2 | 112.1 | 92.2 | -72.6 | -171.3 | 175.2 | -173.4 | 0 | 111.2 | L750 | L750-K752 VanDerWaalsContact C-N 3.34Š|
| 753 | Q | 31.8 | Very low | 32.4 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | | | | 67 | 126.3 | 104.3 | -65.3 | 172.5 | -77.6 | 0 | 0 | 111.6 | | |
| 754 | E | 35.1 | Very low | 32.7 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 62% | 0.617 | 70% | 0.696 | S | S | * | * | | | cis | -158.9 | 170 | 27.8 | -136 | 177.7 | 111.2 | 0 | 0 | 112 | | |
| 755 | R | 31.9 | Very low | 32.7 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | | | trans | 62.3 | 107.4 | 157.6 | -64.9 | 173 | -157.5 | -155.3 | 1.9 | 119.4 | | |
| 756 | V | 27.8 | Very low | 33.1 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 81% | 0.812 | 69% | 0.686 | S | S | * | * | | | trans | -38.5 | 125.1 | 131.1 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 757 | P | 32.4 | Very low | 33.1 | Very low | 109 Ų | 109 | 140.3 Ų | 140.3 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | | | | -134.1 | 140.1 | 85.7 | 36.4 | -23.5 | 0 | 0 | 0 | 116.6 | | |
| 758 | W | 33.9 | Very low | 33.3 | Very low | 222 Ų | 222 | 137 Ų | 137 | 84% | 0.841 | 68% | 0.683 | S | S | * | * | | | trans | 23.7 | 142.1 | 136 | -92.8 | -46.5 | 0 | 0 | 0 | 122.9 | | |
| 759 | I | 32.5 | Very low | 33.5 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 67% | 0.667 | 68% | 0.681 | S | S | * | * | | | trans | 87.5 | 110.4 | 135.1 | -75.6 | 167.8 | 0 | 0 | 0 | 118.8 | | |
| 760 | L | 32.3 | Very low | 33.3 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 70% | 0.696 | 69% | 0.687 | S | S | * | * | | | trans | 66.9 | 113 | 140.4 | -87 | 54.4 | 0 | 0 | 0 | 121.5 | | |
| 761 | E | 30.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 60% | 0.598 | 69% | 0.692 | S | S | * | * | | | | 87.7 | 152.3 | 113.4 | -84.9 | -176.4 | 138.5 | 0 | 0 | 124 | | |
| 762 | K | 30 | Very low | 33.9 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 49% | 0.491 | 69% | 0.688 | S | S | . | * | | | trans | 58.5 | 117.5 | 144.2 | -71 | 158.9 | -175.7 | 149.3 | 0 | 117.5 | | |
| 763 | K | 36.1 | Very low | 33.5 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | | | | -143.4 | 141.6 | 84.7 | -82.5 | 121.3 | -166.3 | 171.3 | 0 | 108.6 | | |
| 764 | R | 40 | Very low | 33.2 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 56% | 0.562 | 69% | 0.694 | S | S | * | * | | | cis | 64.9 | 137.6 | 49.3 | -66.6 | -158 | -179.2 | -176.1 | 0.6 | 111.8 | D766 Q767 | R764-D766 WeakPolarHBondContact CD-O 3.35Å; R764-D766 PolarHBondContact NH1-O 2.88Å; R764-Q767 PolarHBondContact NH1-O 3.45Å |
| 765 | P | 33.9 | Very low | 33 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 70% | 0.701 | S | S | * | * | S | Bend | | -97.3 | 145.9 | 88.2 | 26.7 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 766 | D | 35.1 | Very low | 32.8 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | | | cis | -136.9 | 166.6 | 2.1 | -114.3 | -52.6 | 0 | 0 | 0 | 113.2 | R764 | R764-D766 WeakPolarHBondContact CD-O 3.35Å; R764-D766 PolarHBondContact NH1-O 2.88Å |
| 767 | Q | 36.5 | Very low | 33.1 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 56% | 0.556 | 69% | 0.694 | S | S | * | * | | | trans | 28 | 151.1 | 146.2 | -67 | 161.9 | 49.9 | 0 | 0 | 121.5 | R764 | R764-Q767 PolarHBondContact NH1-O 3.45Š|
| 768 | L | 40.4 | Very low | 33 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | | | cis | -152.2 | 112.2 | -20.4 | -91.8 | 156.1 | 0 | 0 | 0 | 103.5 | | |
| 769 | T | 31.4 | Very low | 32.9 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 55% | 0.546 | 69% | 0.688 | S | S | . | * | | | | 74.5 | 119.9 | 82.7 | 60.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 770 | F | 30.3 | Very low | 32.9 | Very low | 205 Ų | 205 | 134.8 Ų | 134.8 | 90% | 0.899 | 69% | 0.693 | S | S | * | * | | | trans | 79.8 | 134.3 | 152.9 | -58.9 | -58.3 | 0 | 0 | 0 | 122.9 | | |
| 771 | Q | 34.3 | Very low | 32.8 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 69% | 0.687 | S | S | * | * | | | trans | -115.7 | -179.3 | 162 | -128.6 | -174.1 | 6.7 | 0 | 0 | 105.4 | | |
| 772 | P | 40.4 | Very low | 32.9 | Very low | 98 Ų | 98 | 134.5 Ų | 134.5 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | cis | -140.5 | -170.5 | -2.8 | 34.4 | -10.9 | 0 | 0 | 0 | 115.6 | | |
| 773 | V | 26.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 84% | 0.842 | 70% | 0.695 | S | S | * | * | | | trans | 60.7 | 133.8 | 165 | -120.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 774 | A | 26.8 | Very low | 33.1 | Very low | 83 Ų | 83 | 132.2 Ų | 132.2 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | | | cis | -173.7 | 176.7 | 36.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 775 | V | 29.8 | Very low | 33.1 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | | | trans | 68.3 | 88.8 | 161.7 | -166.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 776 | T | 28.4 | Very low | 33.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | | | | 43.3 | 166.7 | 126.6 | 66.6 | 0 | 0 | 0 | 0 | 124.8 | | |
| 777 | D | 34.9 | Very low | 34.1 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | | | trans | 82.1 | 78.8 | 155.6 | -50.5 | -43.7 | 0 | 0 | 0 | 118.9 | | |
| 778 | E | 29.5 | Very low | 33.7 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | | 35.4 | 137.5 | 119.2 | -73.7 | -161.6 | 174.8 | 0 | 0 | 121.9 | | |
| 779 | H | 31.7 | Very low | 33.8 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 63% | 0.634 | 72% | 0.719 | S | S | * | * | | | trans | 75 | 136.9 | 142.7 | -97.7 | -77.9 | 0 | 0 | 0 | 120 | | |
| 780 | F | 32.6 | Very low | 33.9 | Very low | 177 Ų | 177 | 131.9 Ų | 131.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | | | trans | 57.4 | 121.6 | 159.8 | -66 | -57.4 | 0 | 0 | 0 | 116.3 | | |
| 781 | S | 30.7 | Very low | 34.4 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | | | cis | 177 | -168.5 | 17.8 | 43.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 782 | K | 31 | Very low | 34.6 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | 77.5 | 144.5 | 150.9 | -69.1 | -179.3 | 167.4 | -152 | 0 | 116.3 | | |
| 783 | D | 35.9 | Very low | 34.1 | Very low | 96 Ų | 96 | 119.3 Ų | 119.3 | 51% | 0.513 | 71% | 0.714 | S | S | . | * | | | cis | -151.2 | 166.2 | -3.9 | -119.8 | -22.7 | 0 | 0 | 0 | 116.3 | | |
| 784 | H | 34.8 | Very low | 34.5 | Very low | 159 Ų | 159 | 120.3 Ų | 120.3 | 74% | 0.736 | 71% | 0.707 | S | S | * | * | | | trans | 26.3 | 104 | 147.8 | -54.5 | -30.1 | 0 | 0 | 0 | 119.5 | | |
| 785 | S | 40.6 | Very low | 35.2 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 87% | 0.874 | 70% | 0.701 | S | S | * | * | | | | -162.5 | 149.6 | 95.9 | 15.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 786 | G | 44 | Very low | 35.4 | Very low | 73 Ų | 73 | 125.5 Ų | 125.5 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | | | cis | 112 | 134.2 | 18.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 787 | G | 45.9 | Very low | 35.6 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 72% | 0.716 | S | S | * | * | | | cis | -102.2 | -168 | 0.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 788 | Q | 28.4 | Very low | 35.5 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 78% | 0.78 | 69% | 0.694 | S | S | * | * | | | cis | 60.1 | 135.6 | 28.6 | -72.3 | 166.6 | -99.1 | 0 | 0 | 112.3 | | |
| 789 | E | 42.6 | Very low | 35.5 | Very low | 138 Ų | 138 | 122.3 Ų | 122.3 | 65% | 0.645 | 69% | 0.689 | S | S | * | * | | | cis | -133.6 | 155.6 | 6.4 | -104.4 | 129.4 | -153.8 | 0 | 0 | 110.5 | | |
| 790 | T | 32.8 | Very low | 35.3 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | | | | 43.4 | 146.4 | 82.6 | 102.8 | 0 | 0 | 0 | 0 | 115 | | |
| 791 | G | 40 | Very low | 35.2 | Very low | 75 Ų | 75 | 120.6 Ų | 120.6 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | | | cis | -171.6 | -167.3 | 0.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 792 | G | 39.2 | Very low | 35.3 | Very low | 65 Ų | 65 | 123 Ų | 123 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | | | cis | -127.7 | -174.2 | -12.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 793 | S | 30.3 | Very low | 35.1 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 52% | 0.524 | 71% | 0.711 | S | S | . | * | | | cis | 56.2 | 96.6 | 32.2 | 76.5 | 0 | 0 | 0 | 0 | 113.6 | E798 | S793-E798 VanDerWaalsContact C-OE1 3.28Å; S793-E798 WeakPolarHBondContact CA-OE1 3.49Å |
| 794 | F | 34.5 | Very low | 35.5 | Very low | 161 Ų | 161 | 123.5 Ų | 123.5 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | -166.6 | 93 | 143.8 | -112.4 | -68.1 | 0 | 0 | 0 | 113.2 | E798 | F794-E798 WeakPolarHBondContact CA-OE1 3.27Å; F794-E798 PolarHBondContact N-OE1 2.88Å |
| 795 | K | 42.1 | Very low | 35.2 | Very low | 128 Ų | 128 | 123.5 Ų | 123.5 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | | | trans | 64.6 | 132.7 | 158.1 | -62.7 | 173.7 | -178 | 176 | 0 | 116.2 | E798 | K795-E798 HydrophobicContact CB-CB 4.45Å; K795-E798 WeakPolarHBondContact CE-O 3.43Å; K795-E798 HydrophobicContact CG-CB 3.49Å; K795-E798 VanDerWaalsContact CG-CB 3.49Å; K795-E798 WeakPolarHBondContact CG-O 3.21Å; K795-E798 PolarHBondContact N-OE1 3.5Å |
| 796 | E | 33.2 | Very low | 34.8 | Very low | 191 Ų | 191 | 126.2 Ų | 126.2 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | S | Bend | cis | -130.7 | 132.6 | 37.9 | 177.1 | 176.2 | -124.4 | 0 | 0 | 111.8 | | |
| 797 | Q | 33.6 | Very low | 34.1 | Very low | 187 Ų | 187 | 127.2 Ų | 127.2 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | S | Bend | cis | -106.1 | 108.7 | -5.5 | -71.7 | -175.2 | -14.9 | 0 | 0 | 111.8 | | |
| 798 | E | 31.8 | Very low | 33.2 | Very low | 60 Ų | 60 | 128.9 Ų | 128.9 | 28% | 0.28 | 72% | 0.722 | S | S | . | * | | | trans | -94.9 | 153.2 | 152.5 | -96.6 | 166.8 | -101.8 | 0 | 0 | 107.6 | S793 F794 K795 | S793-E798 VanDerWaalsContact C-OE1 3.28Å; S793-E798 WeakPolarHBondContact CA-OE1 3.49Å; F794-E798 WeakPolarHBondContact CA-OE1 3.27Å; F794-E798 PolarHBondContact N-OE1 2.88Å; K795-E798 HydrophobicContact CB-CB 4.45Å; K795-E798 WeakPolarHBondContact CE-O 3.43Å; K795-E798 HydrophobicContact CG-CB 3.49Å; K795-E798 VanDerWaalsContact CG-CB 3.49Å; K795-E798 WeakPolarHBondContact CG-O 3.21Å; K795-E798 PolarHBondContact N-OE1 3.5Å |
| 799 | P | 31.1 | Very low | 33.2 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 72% | 0.721 | S | S | * | * | | | cis | -134.5 | 175.1 | 47.6 | 39.8 | -23.5 | 0 | 0 | 0 | 116.3 | | |
| 800 | Q | 27 | Very low | 32.9 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | | | trans | -57.5 | 151.6 | 171.5 | -56.7 | 163.5 | -18.6 | 0 | 0 | 113 | | |
| 801 | S | 30.4 | Very low | 32.9 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | | 166.4 | 176.8 | 109.7 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 802 | V | 33.2 | Very low | 32.4 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 81% | 0.806 | 74% | 0.737 | S | S | * | * | | | trans | 74.6 | 76.9 | 167.8 | -161.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 803 | H | 27 | Very low | 32.9 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | | -62.3 | 167.3 | 128.7 | -87.2 | -55.4 | 0 | 0 | 0 | 110.5 | | |
| 804 | P | 42.6 | Very low | 32.8 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 62% | 0.623 | 75% | 0.747 | S | S | * | * | | | cis | -139.1 | -161.1 | -26.9 | 38.1 | -18.1 | 0 | 0 | 0 | 112.2 | | |
| 805 | L | 29 | Very low | 32.5 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 61.1 | 114.4 | 156.9 | -65.6 | 168.2 | 0 | 0 | 0 | 119 | | |
| 806 | E | 31.4 | Very low | 31.8 | Very low | 183 Ų | 183 | 143.2 Ų | 143.2 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | | | | -171.2 | 169.1 | 101.4 | -106.9 | -174.8 | -168.8 | 0 | 0 | 111.7 | | |
| 807 | A | 31.4 | Very low | 31.5 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | 29 | 151.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 808 | S | 26.5 | Very low | 31.6 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | cis | -178.1 | 156.3 | -15.8 | 178.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 809 | L | 28.6 | Very low | 31.5 | Very low | 143 Ų | 143 | 141.1 Ų | 141.1 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -16 | 126.1 | 163.6 | -64.8 | 141.2 | 0 | 0 | 0 | 117.6 | | |
| 810 | F | 35.1 | Very low | 31.7 | Very low | 203 Ų | 203 | 139.2 Ų | 139.2 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | | | trans | -160 | 128.7 | 135 | -97.9 | -62.2 | 0 | 0 | 0 | 112.1 | | |
| 811 | R | 33.9 | Very low | 31.7 | Very low | 231 Ų | 231 | 136.3 Ų | 136.3 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | 56.7 | 89.2 | 171.1 | -62.5 | -176.9 | 176.3 | -177.2 | -1.8 | 114.3 | | |
| 812 | E | 28.8 | Very low | 31.7 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | cis | 64.8 | 138.5 | 32.5 | -111.6 | -97.2 | 143 | 0 | 0 | 112.4 | | |
| 813 | P | 49 | Very low | 31.5 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | | -129.3 | 169.8 | -122.5 | 41.6 | -29.4 | 0 | 0 | 0 | 117 | | |
| 814 | S | 29.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 131.4 Ų | 131.4 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -127.7 | 109.9 | 166.8 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 815 | H | 27 | Very low | 30.6 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | | 74.6 | 137.3 | 83 | -91.9 | -74.4 | 0 | 0 | 0 | 114.2 | | |
| 816 | V | 27.6 | Very low | 30.3 | Very low | 117 Ų | 117 | 133 Ų | 133 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | | | trans | 60.3 | 119.4 | 137.4 | 169.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 817 | T | 27.3 | Very low | 30 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | | | cis | -167.5 | -179.2 | 10 | 19.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 818 | K | 35 | Very low | 29.8 | Very low | 180 Ų | 180 | 134.2 Ų | 134.2 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | cis | -159.1 | 172.5 | 23 | -135.6 | 151.5 | -174.6 | 175.5 | 0 | 111.9 | | |
| 819 | S | 30.2 | Very low | 30.4 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -28.4 | 158.2 | 157.5 | 57.9 | 0 | 0 | 0 | 0 | 117.4 | | |
| 820 | G | 34.9 | Very low | 30.2 | Very low | 62 Ų | 62 | 141.3 Ų | 141.3 | 64% | 0.639 | 77% | 0.767 | S | S | * | * | | | cis | -172.7 | 152.3 | 10.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 821 | S | 26.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | | 71 | 102.7 | 86.8 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 822 | A | 30.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | | | | 68.3 | 71.4 | 51.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 823 | T | 29 | Very low | 29.7 | Very low | 128 Ų | 128 | 126 Ų | 126 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | | | trans | -147.5 | 131.1 | 151.9 | 29.3 | 0 | 0 | 0 | 0 | 105.2 | | |
| 824 | A | 25 | Very low | 28.7 | Very low | 91 Ų | 91 | 129.9 Ų | 129.9 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | cis | 67.9 | 152.5 | 48.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 825 | A | 25.8 | Very low | 28.7 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | trans | 71.3 | 117.1 | -152.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 826 | F | 23.7 | Very low | 28.9 | Very low | 198 Ų | 198 | 130.4 Ų | 130.4 | 87% | 0.868 | 75% | 0.746 | S | S | * | * | | | | 73 | 139.3 | 72.1 | -93.1 | -75.9 | 0 | 0 | 0 | 114.5 | | |
| 827 | R | 24.7 | Very low | 28.9 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | | | trans | 57.9 | 102.6 | 157.8 | -83.5 | -177.8 | 169.2 | 163.8 | -2.9 | 116.4 | | |
| 828 | S | 26.2 | Very low | 29.6 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | | | | 103.4 | -175.8 | 88.4 | 73.2 | 0 | 0 | 0 | 0 | 110.9 | Y830 | S828-Y830 PolarHBondContact O-N 3.15Š|
| 829 | Q | 39.6 | Very low | 29.2 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | 51.3 | 60.3 | 167 | -64 | 169.3 | 1.3 | 0 | 0 | 112.1 | | |
| 830 | Y | 25.5 | Very low | 29.2 | Very low | 213 Ų | 213 | 134 Ų | 134 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | | 46 | 119.3 | 70.6 | -101.4 | -67 | 0 | 0 | 0 | 113.4 | S828 | S828-Y830 PolarHBondContact O-N 3.15Š|
| 831 | S | 27.6 | Very low | 29 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | | | trans | 74.9 | 155.5 | 155.2 | 75.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 832 | A | 28.1 | Very low | 28.9 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 79% | 0.793 | 75% | 0.746 | S | S | * | * | | | trans | 66.4 | 137.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 833 | S | 29.9 | Very low | 29.2 | Very low | 78 Ų | 78 | 137 Ų | 137 | 55% | 0.545 | 72% | 0.721 | S | S | . | * | | | cis | -159.2 | 140.8 | -17.2 | 43.3 | 0 | 0 | 0 | 0 | 111.9 | D835 | S833-D835 WeakPolarHBondContact CB-OD2 3.32Å; S833-D835 PolarHBondContact OG-OD2 2.9Å |
| 834 | H | 27.7 | Very low | 29.5 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 85% | 0.847 | 71% | 0.714 | S | S | * | * | | | | -106.5 | 126.3 | 116.9 | -88.8 | -70.8 | 0 | 0 | 0 | 105.3 | | |
| 835 | D | 31.2 | Very low | 30.1 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 51% | 0.513 | 70% | 0.702 | S | S | . | * | | | cis | 61 | 49.1 | 37.8 | -62.7 | -50.4 | 0 | 0 | 0 | 113.7 | S833 | S833-D835 WeakPolarHBondContact CB-OD2 3.32Å; S833-D835 PolarHBondContact OG-OD2 2.9Å |
| 836 | F | 29.9 | Very low | 30.4 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 83% | 0.829 | 70% | 0.701 | S | S | * | * | | | | -110.7 | 121 | 110.6 | -75.1 | -93.4 | 0 | 0 | 0 | 107.3 | | |
| 837 | K | 28.9 | Very low | 30.9 | Very low | 152 Ų | 152 | 133.4 Ų | 133.4 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | | | | 57.4 | 135 | 60.3 | -68.6 | -172.9 | 161.1 | -161.9 | 0 | 113.9 | | |
| 838 | E | 41.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | | | trans | 56.3 | 108.7 | 143 | -66 | 171.4 | 105.8 | 0 | 0 | 118.8 | | |
| 839 | K | 26.4 | Very low | 31.8 | Very low | 196 Ų | 196 | 134 Ų | 134 | 85% | 0.852 | 69% | 0.685 | S | S | * | * | | | trans | -39.1 | 127.3 | 136.2 | -56 | 165.9 | -178 | 171.5 | 0 | 107.8 | | |
| 840 | P | 31.5 | Very low | 31.5 | Very low | 85 Ų | 85 | 133.9 Ų | 133.9 | 55% | 0.552 | 69% | 0.688 | S | S | * | * | | | | -120.7 | 128.6 | 67.7 | 4.3 | 16.6 | 0 | 0 | 0 | 111.9 | K993 | P840-K993 PolarHBondContact O-NZ 3.42Š|
| 841 | A | 28.9 | Very low | 31.7 | Very low | 75 Ų | 75 | 125.9 Ų | 125.9 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | | | | 66.5 | 126.1 | 58.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 842 | Q | 25.8 | Very low | 31.9 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 87% | 0.874 | 65% | 0.647 | S | S | * | * | | | trans | 63.9 | 162.9 | 167.3 | -65 | -173.2 | -20.1 | 0 | 0 | 118.7 | | |
| 843 | E | 36.5 | Very low | 32.5 | Very low | 73 Ų | 73 | 122.7 Ų | 122.7 | 34% | 0.341 | 63% | 0.627 | S | S | . | * | | | trans | 68.4 | 130.8 | 171.7 | -60 | -113.5 | 117.3 | 0 | 0 | 115.6 | K845 L995 R996 N997 | E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.76Å; E843-K845 PolarHBondContact OE1-NZ 3.27Å; E843-K845 VanDerWaalsContact OE1-NZ 3.08Å; E843-L995 HydrophobicContact CG-CD2 4.31Å; E843-L995 WeakPolarHBondContact OE2-CD2 3.44Å; E843-R996 PolarHBondContact OE2-N 3.08Å; E843-N997 PolarHBondContact OE1-ND2 2.89Å; E843-N997 PolarHBondContact OE2-ND2 3.45Å |
| 844 | A | 35.3 | Very low | 32.7 | Very low | 76 Ų | 76 | 123.3 Ų | 123.3 | 63% | 0.628 | 64% | 0.637 | S | S | * | * | | | cis | -153.7 | 125 | -2.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 845 | K | 37.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 49% | 0.491 | 64% | 0.635 | S | S | . | * | | | | 53.5 | 120.1 | 116.6 | -58.1 | -179.1 | -170.5 | 176.4 | 0 | 119.4 | E843 N997 | E843-K845 WeakPolarHBondContact OE1-CE 3.41Å; E843-K845 IonicContact OE1-NZ 2.76Å; E843-K845 PolarHBondContact OE1-NZ 3.27Å; E843-K845 VanDerWaalsContact OE1-NZ 3.08Å; K845-N997 PolarHBondContact NZ-ND2 3.3Å; K845-N997 PolarHBondContact NZ-OD1 3.21Å |
| 846 | N | 32.6 | Very low | 32.9 | Very low | 136 Ų | 136 | 126.1 Ų | 126.1 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | | | | 76.7 | 159.9 | 116.2 | -64.6 | 11.7 | 0 | 0 | 0 | 118.8 | | |
| 847 | L | 34.2 | Very low | 32.9 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 56% | 0.555 | 64% | 0.642 | S | S | * | * | | | cis | -150.3 | 169.6 | 3.7 | -132.5 | 159 | 0 | 0 | 0 | 110.2 | D849 | L847-D849 WeakPolarHBondContact CD2-OD2 3.3Š|
| 848 | R | 34.9 | Very low | 32.9 | Very low | 196 Ų | 196 | 123 Ų | 123 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | | | trans | 87.6 | 75.2 | 174 | -54.6 | -168.1 | 174.6 | -171.4 | -3.6 | 113.1 | | |
| 849 | D | 35.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | | | | 73.1 | 139 | 72 | -49.5 | -31.3 | 0 | 0 | 0 | 110.5 | L847 | L847-D849 WeakPolarHBondContact CD2-OD2 3.3Š|
| 850 | I | 32.4 | Very low | 32.5 | Very low | 175 Ų | 175 | 123 Ų | 123 | 90% | 0.897 | 65% | 0.647 | S | S | * | * | | | cis | -126.8 | 160.8 | 25.7 | -64.1 | 166.2 | 0 | 0 | 0 | 111.1 | | |
| 851 | S | 29.7 | Very low | 32.5 | Very low | 45 Ų | 45 | 131 Ų | 131 | 32% | 0.315 | 67% | 0.666 | S | S | . | * | | | trans | -151.1 | 114.6 | -156 | 65.3 | 0 | 0 | 0 | 0 | 117.3 | P1011 | S851-P1011 VanDerWaalsContact CA-CD 3.47Š|
| 852 | L | 31.6 | Very low | 32.7 | Very low | 85 Ų | 85 | 136.8 Ų | 136.8 | 45% | 0.445 | 68% | 0.677 | S | S | . | * | | | trans | 53.7 | -162.3 | 146.8 | -79.1 | 132.5 | 0 | 0 | 0 | 115.4 | F1009 A1010 P1011 L1012 | L852-F1009 CarbonylContact C-O 3.22Å; L852-F1009 VanDerWaalsContact C-O 3.22Å; L852-F1009 VanDerWaalsContact CB-O 3.32Å; L852-F1009 WeakPolarHBondContact CB-O 3.21Å; L852-A1010 HydrophobicContact CD1-CB 4.41Å; L852-P1011 VanDerWaalsContact CB-CA 3.42Å; L852-P1011 HydrophobicContact CB-CB 3.94Å; L852-P1011 HydrophobicContact CB-CG 3.63Å; L852-P1011 HydrophobicContact CD1-CB 2.29Å; L852-P1011 HydrophobicContact CD1-CG 2.28Å; L852-P1011 WeakPolarHBondContact CD1-O 3.49Å; L852-P1011 HydrophobicContact CD2-CB 2.82Å; L852-P1011 HydrophobicContact CD2-CG 3.62Å; L852-P1011 HydrophobicContact CG-CB 2.3Å; L852-P1011 HydrophobicContact CG-CG 2.32Å; L852-L1012 HydrophobicContact CD1-CB 4.47Å; L852-L1012 HydrophobicContact CD1-CG 3.95Å |
| 853 | P | 41.2 | Very low | 33.3 | Very low | 57 Ų | 57 | 133.1 Ų | 133.1 | 37% | 0.37 | 67% | 0.669 | S | S | . | * | | | cis | -123 | -173.6 | -13.1 | 48 | -33 | 0 | 0 | 0 | 112.9 | P1008 F1009 | P853-P1008 VanDerWaalsContact CD-CB 3.45Å; P853-P1008 HydrophobicContact CG-CB 3.77Å; P853-P1008 HydrophobicContact CG-CG 4.37Å; P853-F1009 VanDerWaalsContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CD-O 3.49Å; P853-F1009 HydrophobicContact CG-CB 4.42Å; P853-F1009 WeakPolarHBondContact CG-O 3.47Å |
| 854 | A | 34.4 | Very low | 32.8 | Very low | 92 Ų | 92 | 138.4 Ų | 138.4 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | cis | -145.3 | 160.7 | 7.2 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 855 | R | 29.1 | Very low | 32.6 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 80% | 0.8 | 69% | 0.693 | S | S | * | * | | | trans | -133.2 | 153.3 | 162.6 | -145.6 | 179.1 | -172.7 | -157.1 | 7.1 | 108.3 | | |
| 856 | Q | 33.8 | Very low | 32.3 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | | | trans | 52.9 | 122.3 | 165.7 | -70.3 | 149.2 | -88.4 | 0 | 0 | 119.2 | | |
| 857 | I | 30.8 | Very low | 32.1 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 90% | 0.897 | 71% | 0.705 | S | S | * | * | | | | -125.2 | 119.6 | 106.1 | -64.9 | -172.6 | 0 | 0 | 0 | 108.3 | | |
| 858 | T | 27.9 | Very low | 31.9 | Very low | 99 Ų | 99 | 148.5 Ų | 148.5 | 61% | 0.607 | 72% | 0.716 | S | S | * | * | | | trans | -108.8 | 133.9 | 167 | 43.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 859 | M | 29.2 | Very low | 31.7 | Very low | 182 Ų | 182 | 146.7 Ų | 146.7 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | | | trans | -170.7 | 105.8 | 149.7 | -104.2 | 165.8 | -165.8 | 0 | 0 | 108.8 | | |
| 860 | M | 29.6 | Very low | 31.3 | Very low | 169 Ų | 169 | 148 Ų | 148 | 83% | 0.833 | 72% | 0.721 | S | S | * | * | | | | 82.8 | 80.3 | 79.1 | -75.3 | -75.8 | -83.1 | 0 | 0 | 114.4 | | |
| 861 | R | 33 | Very low | 31.1 | Very low | 252 Ų | 252 | 146.4 Ų | 146.4 | 95% | 0.951 | 71% | 0.714 | S | S | * | * | | | trans | -135.3 | 120.3 | 144.4 | -80.5 | -167.2 | 175.1 | -176.5 | -1.3 | 110.7 | | |
| 862 | K | 31.5 | Very low | 31 | Very low | 197 Ų | 197 | 153.8 Ų | 153.8 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | | | trans | -129 | 168.6 | 157.7 | -69.1 | -176.7 | 178.9 | 178.6 | 0 | 105.4 | | |
| 863 | P | 38.6 | Very low | 31.1 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | cis | -126.7 | -170.5 | -1.4 | 39.6 | -22.3 | 0 | 0 | 0 | 113.2 | | |
| 864 | K | 27.6 | Very low | 30.6 | Very low | 184 Ų | 184 | 164.2 Ų | 164.2 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | | | trans | 46.5 | 134.5 | 141.2 | -78.4 | -177.1 | 176.3 | -175.8 | 0 | 119.8 | | |
| 865 | L | 30.7 | Very low | 30.4 | Very low | 129 Ų | 129 | 164.4 Ų | 164.4 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | cis | -158.5 | 152.4 | 9.9 | -86.2 | 139.4 | 0 | 0 | 0 | 111.4 | | |
| 866 | W | 30 | Very low | 30.3 | Very low | 216 Ų | 216 | 159.2 Ų | 159.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | 69.8 | 142.9 | 143.6 | -71.3 | 16.1 | 0 | 0 | 0 | 122.7 | | |
| 867 | N | 28.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 161.1 Ų | 161.1 | 65% | 0.647 | 77% | 0.77 | S | S | * | * | | | trans | 60.7 | 147.3 | 166.4 | -51.3 | -7.6 | 0 | 0 | 0 | 116.3 | | |
| 868 | F | 31 | Very low | 30.5 | Very low | 178 Ų | 178 | 161.4 Ų | 161.4 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | cis | -123.1 | 154.9 | -0.4 | -68 | -101.9 | 0 | 0 | 0 | 107.7 | | |
| 869 | E | 30.8 | Very low | 30.8 | Very low | 158 Ų | 158 | 159.9 Ų | 159.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | | | cis | 68.8 | 107.1 | 45.3 | -166.5 | 160 | -132.5 | 0 | 0 | 114.8 | | |
| 870 | L | 27.6 | Very low | 31 | Very low | 146 Ų | 146 | 159.7 Ų | 159.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | 38.6 | 98.2 | 156.8 | -66.1 | 166.7 | 0 | 0 | 0 | 118.9 | | |
| 871 | L | 26.2 | Very low | 31 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | | 171.4 | 146.7 | 106.3 | -91.5 | 162.9 | 0 | 0 | 0 | 114.3 | | |
| 872 | R | 28.2 | Very low | 31.1 | Very low | 199 Ų | 199 | 152.4 Ų | 152.4 | 75% | 0.751 | 74% | 0.744 | S | S | * | * | | | trans | 66.5 | 161.9 | 150.9 | -69.1 | 171.4 | -170 | -171.8 | 3.5 | 120.1 | | |
| 873 | E | 33.9 | Very low | 31.2 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | 57.2 | 71.3 | 150.8 | -72.8 | 155.5 | -117.5 | 0 | 0 | 119.9 | | |
| 874 | K | 29.9 | Very low | 30.7 | Very low | 212 Ų | 212 | 149.2 Ų | 149.2 | 92% | 0.922 | 73% | 0.726 | S | S | * | * | | | | -130.5 | 85.9 | 120.1 | -80.2 | -155.6 | 175.1 | -177.5 | 0 | 113.4 | | |
| 875 | P | 30.1 | Very low | 31 | Very low | 96 Ų | 96 | 147.3 Ų | 147.3 | 62% | 0.623 | 71% | 0.714 | S | S | * | * | | | trans | -67.8 | 145 | 144.9 | 32.6 | -34.6 | 0 | 0 | 0 | 110.9 | | |
| 876 | S | 27.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 144 Ų | 144 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | | | trans | 69.3 | 160.6 | 142.1 | 76.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 877 | F | 32.1 | Very low | 31 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | | | trans | 76.6 | 106.6 | 163.3 | -86 | -82.3 | 0 | 0 | 0 | 121.8 | | |
| 878 | K | 36.9 | Very low | 31.2 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 79% | 0.787 | 72% | 0.721 | S | S | * | * | | | trans | 69.2 | 135 | 154.3 | -69 | 158.2 | 179.2 | 176.6 | 0 | 117.5 | | |
| 879 | A | 33.7 | Very low | 31.7 | Very low | 67 Ų | 67 | 140.7 Ų | 140.7 | 55% | 0.554 | 72% | 0.716 | S | S | * | * | S | Bend | cis | -159 | 158 | -17.7 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 880 | H | 33.5 | Very low | 31.8 | Very low | 178 Ų | 178 | 140.7 Ų | 140.7 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | | | cis | -127 | 152.9 | 14.1 | -65.6 | -113.6 | 0 | 0 | 0 | 109.3 | | |
| 881 | Y | 30.8 | Very low | 32.1 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | | | cis | 67.4 | 111.4 | 39.8 | -84.8 | -69.7 | 0 | 0 | 0 | 115.7 | | |
| 882 | G | 34.5 | Very low | 32.1 | Very low | 69 Ų | 69 | 141.7 Ų | 141.7 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | | | trans | 120.1 | 66.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 883 | F | 33.4 | Very low | 32.6 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 84% | 0.838 | 70% | 0.701 | S | S | * | * | | | | 62.7 | 138.3 | 76.1 | -102.5 | -98.8 | 0 | 0 | 0 | 116 | | |
| 884 | S | 28.5 | Very low | 32.6 | Very low | 49 Ų | 49 | 135.8 Ų | 135.8 | 34% | 0.343 | 70% | 0.698 | S | S | . | * | | | trans | -35.9 | 165.3 | 163.6 | 64.3 | 0 | 0 | 0 | 0 | 116 | T361 | T361-S884 WeakPolarHBondContact O-CB 3.4Å; T361-S884 WeakPolarHBondContact OG1-CB 3.22Å |
| 885 | R | 33.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 54% | 0.543 | 69% | 0.686 | S | S | . | * | | | cis | -154.1 | 159.2 | 25.5 | -162.1 | -174.1 | -75.3 | -174.3 | -9.9 | 108.6 | P358 G359 G360 | P358-R885 PolarHBondContact O-NH1 2.94Å; G359-R885 VanDerWaalsContact C-CZ 3.48Å; G359-R885 VanDerWaalsContact C-NH2 3.33Å; G359-R885 PolarHBondContact O-NE 2.99Å; G359-R885 PolarHBondContact O-NH1 2.83Å; G359-R885 PolarHBondContact O-NH2 2.9Å; G359-R885 VanDerWaalsContact O-NH2 3.15Å; G360-R885 VanDerWaalsContact O-CZ 3.25Å; G360-R885 PolarHBondContact O-NE 2.98Å; G360-R885 PolarHBondContact O-NH2 2.82Å |
| 886 | G | 29.1 | Very low | 32.9 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 70% | 0.695 | S | S | * | * | | | trans | -77.5 | 145.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 887 | I | 32.6 | Very low | 33.2 | Very low | 166 Ų | 166 | 137.2 Ų | 137.2 | 85% | 0.851 | 70% | 0.697 | S | S | * | * | | | trans | -178.3 | 140 | 143.9 | -93.2 | 153.3 | 0 | 0 | 0 | 106.7 | | |
| 888 | E | 32.8 | Very low | 33.6 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | | | trans | -92.5 | -161.1 | 178.6 | -39.2 | 170.8 | 120.3 | 0 | 0 | 109.5 | | |
| 889 | P | 39.7 | Very low | 33.6 | Very low | 104 Ų | 104 | 136.7 Ų | 136.7 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | | | cis | -125.8 | -163.9 | -26.2 | 31.5 | -10.8 | 0 | 0 | 0 | 111.1 | | |
| 890 | K | 32.8 | Very low | 33.8 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | | | trans | 67.2 | 150 | 164.6 | -65.5 | 177.8 | 160.6 | -80.2 | 0 | 116.7 | | |
| 891 | E | 34.2 | Very low | 34 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 62% | 0.621 | 71% | 0.707 | S | S | * | * | | | cis | -152.6 | -173.2 | -18.2 | -117.6 | 155.8 | -173.1 | 0 | 0 | 109.1 | | |
| 892 | F | 27.6 | Very low | 34.2 | Very low | 176 Ų | 176 | 139 Ų | 139 | 77% | 0.772 | 71% | 0.71 | S | S | * | * | | | trans | -36.8 | 153.2 | 177.6 | -57.3 | -89.7 | 0 | 0 | 0 | 116.1 | | |
| 893 | S | 37.5 | Very low | 34.2 | Very low | 87 Ų | 87 | 139.9 Ų | 139.9 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | | | cis | -128.2 | 149.6 | 31.5 | 46.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 894 | Q | 33.4 | Very low | 34.5 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 65% | 0.65 | 70% | 0.702 | S | S | * | * | | | | 75.4 | 140.9 | 60.5 | -117.2 | -164.5 | -70.2 | 0 | 0 | 114.6 | | |
| 895 | D | 35.5 | Very low | 34.8 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 65% | 0.652 | 73% | 0.728 | S | S | * | * | | | trans | 64.8 | 156.2 | 158.7 | -56.3 | -2.9 | 0 | 0 | 0 | 121.5 | | |
| 896 | E | 32.2 | Very low | 35 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | cis | -160.3 | -156.7 | -48.7 | -135.9 | -177.4 | -156 | 0 | 0 | 111.1 | | |
| 897 | D | 34.1 | Very low | 35.3 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -58 | 122.5 | -176.3 | -89.6 | -44.4 | 0 | 0 | 0 | 116.7 | | |
| 898 | S | 39 | Very low | 35.5 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -177.3 | 120.1 | 134.9 | 32.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 899 | R | 36.5 | Very low | 35.4 | Very low | 225 Ų | 225 | 150.2 Ų | 150.2 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | | | | 57.9 | 108.3 | 64.3 | -71.5 | -164.9 | 174.8 | -167.2 | 1.3 | 114.7 | | |
| 900 | E | 39 | Very low | 35.2 | Very low | 148 Ų | 148 | 149.6 Ų | 149.6 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | | | trans | 70.9 | 135.4 | 165.3 | -58.8 | -171.6 | -159.6 | 0 | 0 | 116 | | |
| 901 | K | 36.6 | Very low | 35.2 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 78% | 0.778 | 75% | 0.748 | S | S | * | * | | | cis | -148.9 | 161 | 4.7 | -109.3 | 148.1 | 178.1 | 148.1 | 0 | 110.9 | | |
| 902 | I | 35.4 | Very low | 35.6 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | | | trans | -93 | 138.3 | 173.3 | -66.7 | 172.4 | 0 | 0 | 0 | 107.7 | | |
| 903 | S | 34.5 | Very low | 35.9 | Very low | 88 Ų | 88 | 147.3 Ų | 147.3 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | | | cis | -163.3 | -174.7 | -5.5 | 56.7 | 0 | 0 | 0 | 0 | 112 | | |
| 904 | T | 39.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | 69.6 | 83.7 | 149.6 | 40.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 905 | R | 35.2 | Very low | 35.3 | Very low | 235 Ų | 235 | 152.2 Ų | 152.2 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | | | | 50.2 | 89.6 | 116.3 | -163.6 | -165 | -163.1 | -165.9 | 6.8 | 118.4 | | |
| 906 | Q | 38.4 | Very low | 35.3 | Very low | 183 Ų | 183 | 152.1 Ų | 152.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | | | | -160.1 | 160.4 | 107.4 | -110.9 | 174.9 | -14 | 0 | 0 | 112.3 | | |
| 907 | Q | 35.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -87.1 | 166.4 | -179.8 | -59.9 | 151.4 | -73.5 | 0 | 0 | 109.3 | | |
| 908 | T | 35 | Very low | 34.9 | Very low | 102 Ų | 102 | 147.5 Ų | 147.5 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | cis | -160.8 | 170.7 | 20.3 | -24.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 909 | F | 31.9 | Very low | 34.6 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | 71.6 | 79.1 | 157.5 | -61.9 | -57.7 | 0 | 0 | 0 | 122.1 | | |
| 910 | S | 34.7 | Very low | 34.5 | Very low | 90 Ų | 90 | 145.9 Ų | 145.9 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | | | | 49.5 | 111 | 114.4 | 61.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 911 | K | 32.6 | Very low | 34.5 | Very low | 203 Ų | 203 | 148 Ų | 148 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | | | | 59.2 | 156.4 | 121.5 | -68 | -177.3 | 179.5 | -178.7 | 0 | 121.2 | | |
| 912 | P | 42.4 | Very low | 34.4 | Very low | 107 Ų | 107 | 146 Ų | 146 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | cis | -131.5 | 172.6 | -21.7 | 38.2 | -21.8 | 0 | 0 | 0 | 114.8 | | |
| 913 | S | 33.9 | Very low | 34.6 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | 59.3 | 144.6 | 164.6 | 47.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 914 | S | 31.8 | Very low | 34.4 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | cis | -166.2 | 150.7 | -16.5 | 44.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 915 | Y | 27.8 | Very low | 34 | Very low | 228 Ų | 228 | 150 Ų | 150 | 89% | 0.894 | 74% | 0.738 | S | S | * | * | | | trans | 66.3 | 170.4 | 166.7 | -95 | -63.4 | 0 | 0 | 0 | 115.9 | | |
| 916 | P | 35.6 | Very low | 33.8 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | | -122 | -180 | -114.1 | 45.6 | -33.9 | 0 | 0 | 0 | 115.5 | | |
| 917 | G | 27.9 | Very low | 33.5 | Very low | 69 Ų | 69 | 140.4 Ų | 140.4 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | trans | 100.7 | 157.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 918 | D | 28.9 | Very low | 33.5 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | cis | 174.4 | 178.6 | -14.7 | -141.4 | -34.8 | 0 | 0 | 0 | 104.1 | | |
| 919 | I | 33.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | | | trans | 61.9 | 149.9 | 164.2 | -0.5 | 173.3 | 0 | 0 | 0 | 120.5 | | |
| 920 | Y | 34.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 136 Ų | 136 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | | | trans | 64.3 | 100.4 | 167 | -63.6 | -65.3 | 0 | 0 | 0 | 117.6 | | |
| 921 | R | 38 | Very low | 33.7 | Very low | 193 Ų | 193 | 141 Ų | 141 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | | | | 87.5 | 126.5 | 77.2 | -87 | -154.1 | -177.4 | 155.8 | 3.1 | 111.9 | | |
| 922 | Q | 35.6 | Very low | 33.6 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 64% | 0.64 | 72% | 0.724 | S | S | * | * | | | | 56.5 | 124.8 | 84.6 | -72 | 176.1 | -29 | 0 | 0 | 111.1 | | |
| 923 | E | 38.4 | Very low | 33.2 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 43% | 0.425 | 73% | 0.729 | S | S | . | * | | | cis | -167.6 | 153.7 | 26.6 | -116.7 | 147.7 | -155 | 0 | 0 | 114.1 | K925 | E923-K925 HydrophobicContact CB-CB 4.49Å; E923-K925 VanDerWaalsContact CD-CE 3.41Å; E923-K925 VanDerWaalsContact CD-CG 3.47Å; E923-K925 HydrophobicContact CG-CB 4.03Å; E923-K925 HydrophobicContact CG-CD 4.41Å; E923-K925 HydrophobicContact CG-CG 3.83Å; E923-K925 WeakPolarHBondContact OE1-CE 3.31Å; E923-K925 IonicContact OE1-NZ 2.69Å; E923-K925 PolarHBondContact OE1-NZ 3.01Å; E923-K925 WeakPolarHBondContact OE2-CD 3.06Å; E923-K925 VanDerWaalsContact OE2-CE 3.28Å; E923-K925 WeakPolarHBondContact OE2-CE 3.37Å; E923-K925 IonicContact OE2-NZ 3.58Å; E923-K925 PolarHBondContact OE2-NZ 3.22Å |
| 924 | Y | 31.6 | Very low | 33.2 | Very low | 245 Ų | 245 | 142.2 Ų | 142.2 | 96% | 0.961 | 73% | 0.732 | S | S | * | * | S | Bend | | -116.2 | 96.8 | 128.3 | -101.3 | -93.3 | 0 | 0 | 0 | 107.5 | | |
| 925 | K | 30.9 | Very low | 33.3 | Very low | 124 Ų | 124 | 146.1 Ų | 146.1 | 54% | 0.539 | 74% | 0.739 | S | S | . | * | | | trans | -70.5 | 156.4 | 171.4 | -118.1 | 178.3 | -162.3 | 124.3 | 0 | 109 | E923 V927 | E923-K925 HydrophobicContact CB-CB 4.49Å; E923-K925 VanDerWaalsContact CD-CE 3.41Å; E923-K925 VanDerWaalsContact CD-CG 3.47Å; E923-K925 HydrophobicContact CG-CB 4.03Å; E923-K925 HydrophobicContact CG-CD 4.41Å; E923-K925 HydrophobicContact CG-CG 3.83Å; E923-K925 WeakPolarHBondContact OE1-CE 3.31Å; E923-K925 IonicContact OE1-NZ 2.69Å; E923-K925 PolarHBondContact OE1-NZ 3.01Å; E923-K925 WeakPolarHBondContact OE2-CD 3.06Å; E923-K925 VanDerWaalsContact OE2-CE 3.28Å; E923-K925 WeakPolarHBondContact OE2-CE 3.37Å; E923-K925 IonicContact OE2-NZ 3.58Å; E923-K925 PolarHBondContact OE2-NZ 3.22Å; K925-V927 HydrophobicContact CD-CG2 4.33Å |
| 926 | P | 30.8 | Very low | 33.6 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | | | | -135 | 170.8 | 55.2 | 39.4 | -23.8 | 0 | 0 | 0 | 114.2 | | |
| 927 | V | 31.7 | Very low | 33.8 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 58% | 0.576 | 73% | 0.729 | S | S | * | * | | | cis | -169.9 | 139.4 | -16.9 | 137 | 0 | 0 | 0 | 0 | 105 | K925 | K925-V927 HydrophobicContact CD-CG2 4.33Š|
| 928 | T | 35 | Very low | 34.4 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | 58.2 | 150.8 | 171.8 | 52.5 | 0 | 0 | 0 | 0 | 118.2 | | |
| 929 | T | 33.5 | Very low | 34.6 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | cis | -155.3 | 163.8 | -19.6 | 12.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 930 | P | 34 | Very low | 34.8 | Very low | 115 Ų | 115 | 146.1 Ų | 146.1 | 75% | 0.747 | 71% | 0.709 | S | S | * | * | | | trans | -111.5 | 166.9 | -170.4 | 41.1 | -33.7 | 0 | 0 | 0 | 115.5 | | |
| 931 | Q | 39.8 | Very low | 34.8 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 72% | 0.715 | S | S | * | * | | | trans | -163.9 | 169.5 | 143.1 | -114 | 167.8 | 4.1 | 0 | 0 | 114 | | |
| 932 | T | 29 | Very low | 34.5 | Very low | 106 Ų | 106 | 147.5 Ų | 147.5 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | | | trans | -112.3 | 167.3 | -163.1 | 43.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 933 | F | 34.9 | Very low | 34.5 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | | | | 170.8 | 123.8 | 114.2 | -91.9 | -65.7 | 0 | 0 | 0 | 116 | | |
| 934 | L | 35 | Very low | 34.3 | Very low | 161 Ų | 161 | 148.3 Ų | 148.3 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | 63.8 | 163.9 | 143.4 | -77.3 | 166.5 | 0 | 0 | 0 | 124.8 | | |
| 935 | Q | 32.9 | Very low | 34.4 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | | | trans | -104.9 | 162.2 | -171.7 | -58.3 | 171.6 | -16 | 0 | 0 | 112.7 | | |
| 936 | P | 33.8 | Very low | 34.5 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 71% | 0.711 | S | S | * | * | | | trans | -122.2 | 126.7 | 169.6 | 36.6 | -23.4 | 0 | 0 | 0 | 115.1 | | |
| 937 | L | 40.9 | Very low | 34.7 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 67% | 0.665 | 68% | 0.676 | S | S | * | * | | | trans | -143.3 | 100.6 | 156.1 | -89.4 | 179.9 | 0 | 0 | 0 | 112.9 | | |
| 938 | Q | 38.9 | Very low | 34.5 | Very low | 78 Ų | 78 | 130.8 Ų | 130.8 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | | | trans | 77 | 150.9 | 143.4 | -41.7 | -163.4 | -90.1 | 0 | 0 | 120.2 | R569 I570 | R569-Q938 PolarHBondContact O-NE2 3.15Å; R569-Q938 PolarHBondContact O-OE1 2.84Å; I570-Q938 HydrophobicContact CD1-CB 4.36Å; I570-Q938 HydrophobicContact CG1-CB 4.41Å |
| 939 | W | 33.8 | Very low | 34.4 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | | | trans | -158.1 | 147.2 | -174 | -81.5 | 82 | 0 | 0 | 0 | 104 | | |
| 940 | R | 37.2 | Very low | 34.1 | Very low | 191 Ų | 191 | 130 Ų | 130 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | | | cis | -139.2 | 168.9 | 9.4 | -63.7 | -162 | 158.7 | 166.2 | -7.5 | 111.8 | | |
| 941 | D | 34.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 135.2 Ų | 135.2 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | | | trans | -83.4 | 172 | -169.1 | -47.1 | -87.9 | 0 | 0 | 0 | 116.7 | | |
| 942 | R | 33.3 | Very low | 33.3 | Very low | 245 Ų | 245 | 130.6 Ų | 130.6 | 93% | 0.925 | 66% | 0.664 | S | S | * | * | | | trans | -109.5 | 105.3 | 148.7 | -81.9 | -174.9 | 169.6 | -160.8 | -0.5 | 110.2 | | |
| 943 | V | 34.3 | Very low | 33.4 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 81% | 0.806 | 67% | 0.666 | S | S | * | * | | | trans | -145.8 | 121.6 | 134 | -179.3 | 0 | 0 | 0 | 0 | 108 | | |
| 944 | V | 33.6 | Very low | 33.1 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | | | trans | -113.6 | 111.8 | 158.9 | 176.9 | 0 | 0 | 0 | 0 | 106.6 | P617 | P617-V944 HydrophobicContact CG-CG1 3.88Š|
| 945 | H | 35.2 | Very low | 33.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 72% | 0.722 | 66% | 0.662 | S | S | * | * | | | trans | -155.3 | 94.7 | 151.2 | -106.1 | 73.8 | 0 | 0 | 0 | 109.1 | | |
| 946 | S | 33.1 | Very low | 33.1 | Very low | 11 Ų | 11 | 124.4 Ų | 124.4 | 8% | 0.077 | 65% | 0.654 | C | S | . | * | | | | 64.9 | 147.3 | 126.8 | -43.8 | 0 | 0 | 0 | 0 | 123.6 | G235 S236 A616 P617 S618 | G235-S946 CarbonylContact O-C 3.16Å; G235-S946 WeakPolarHBondContact O-CA 3.38Å; G235-S946 WeakPolarHBondContact O-CB 3.35Å; S236-S946 VanDerWaalsContact CA-C 3.42Å; S236-S946 VanDerWaalsContact CA-O 3.25Å; S236-S946 WeakPolarHBondContact CA-O 3.2Å; S236-S946 WeakPolarHBondContact CB-O 3.13Å; A616-S946 WeakPolarHBondContact CB-O 3.36Å; P617-S946 CarbonylContact O-C 3.08Å; P617-S946 WeakPolarHBondContact O-CA 3.29Å; P617-S946 WeakPolarHBondContact O-CB 3.28Å; P617-S946 PolarHBondContact O-OG 3Å; S618-S946 WeakPolarHBondContact OG-CB 3.22Å; S618-S946 PolarHBondContact OG-OG 3.18Å |
| 947 | G | 33.9 | Very low | 33 | Very low | 4 Ų | 4 | 127.8 Ų | 127.8 | 4% | 0.041 | 66% | 0.659 | C | S | . | * | | | trans | -140.8 | -117.1 | -141.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | G235 S236 A616 P617 | G235-G947 VanDerWaalsContact C-C 3.44Å; G235-G947 CarbonylContact C-O 3.3Å; G235-G947 VanDerWaalsContact CA-O 3.23Å; G235-G947 WeakPolarHBondContact CA-O 3.5Å; G235-G947 PolarHBondContact O-N 3.27Å; S236-G947 WeakPolarHBondContact CA-O 3.48Å; S236-G947 WeakPolarHBondContact CB-O 3.03Å; S236-G947 PolarHBondContact N-O 2.91Å; S236-G947 PolarHBondContact OG-O 3.34Å; A616-G947 VanDerWaalsContact C-CA 3.46Å; A616-G947 VanDerWaalsContact O-CA 3.23Å; A616-G947 WeakPolarHBondContact O-CA 3.42Å; P617-G947 PolarHBondContact O-N 3.4Å |
| 948 | A | 28.8 | Very low | 32.7 | Very low | 46 Ų | 46 | 126.2 Ų | 126.2 | 38% | 0.38 | 66% | 0.658 | S | S | . | * | | | trans | 52.3 | 156.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 122 | S234 G235 | S234-A948 WeakPolarHBondContact O-CB 3.32Å; G235-A948 VanDerWaalsContact N-CB 3.32Å; G235-A948 VanDerWaalsContact N-N 3.14Å |
| 949 | P | 31.5 | Very low | 32.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | | | trans | -85.6 | 145.3 | -172 | 33.7 | -36.8 | 0 | 0 | 0 | 115.9 | | |
| 950 | V | 28.8 | Very low | 32 | Very low | 122 Ų | 122 | 123.2 Ų | 123.2 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | | | trans | 73.4 | 90.6 | 134.5 | 179.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 951 | Y | 28.8 | Very low | 31.5 | Very low | 224 Ų | 224 | 121.4 Ų | 121.4 | 88% | 0.878 | 67% | 0.671 | S | S | * | * | | | trans | 65.3 | 162.9 | 149.3 | -69.8 | -60.6 | 0 | 0 | 0 | 120.6 | | |
| 952 | A | 27.5 | Very low | 31.3 | Very low | 98 Ų | 98 | 121.1 Ų | 121.1 | 81% | 0.81 | 67% | 0.67 | S | S | * | * | | | trans | 68.9 | 134.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 953 | S | 30.3 | Very low | 31.4 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 69% | 0.685 | 66% | 0.663 | S | S | * | * | | | cis | -161.3 | 148.8 | -16.4 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 954 | R | 30.2 | Very low | 31.4 | Very low | 168 Ų | 168 | 117.7 Ų | 117.7 | 63% | 0.634 | 66% | 0.655 | S | S | * | * | | | | 58.7 | 119.7 | 118 | -173.5 | -164.1 | -148.7 | -175.7 | 4.1 | 119.7 | | |
| 955 | N | 33.4 | Very low | 31.4 | Very low | 169 Ų | 169 | 120.6 Ų | 120.6 | 90% | 0.904 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -171.4 | 128.4 | 137.4 | -95 | -21.4 | 0 | 0 | 0 | 108.7 | | |
| 956 | G | 33.5 | Very low | 31.3 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | S | Bend | cis | -116.6 | 173.4 | -38.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 957 | E | 32.4 | Very low | 31.5 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 69% | 0.694 | S | S | * | * | | | cis | -143 | 167.4 | 26.8 | -67.9 | 167.5 | 131.7 | 0 | 0 | 108.3 | | |
| 958 | S | 33.6 | Very low | 31.6 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | | | cis | -153 | 166.2 | -9.8 | 38 | 0 | 0 | 0 | 0 | 109.9 | | |
| 959 | V | 32.8 | Very low | 32 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 70% | 0.703 | 74% | 0.741 | S | S | * | * | | | trans | 14.8 | 117.7 | 147.1 | -175.3 | 0 | 0 | 0 | 0 | 117.5 | | |
| 960 | S | 26.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 138.8 Ų | 138.8 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | | | cis | 77.8 | 100.7 | 38.9 | 84.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 961 | I | 26.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 137 Ų | 137 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | | | trans | 75 | 140 | 156 | -60.3 | 175.5 | 0 | 0 | 0 | 117 | | |
| 962 | D | 29.9 | Very low | 32.6 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | | | trans | 47.8 | 93 | 168.3 | -63.4 | -13.9 | 0 | 0 | 0 | 119.7 | | |
| 963 | Q | 35.1 | Very low | 32.8 | Very low | 169 Ų | 169 | 139.2 Ų | 139.2 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | | | | -161 | 138.6 | 108.7 | -105.3 | -174.3 | 21.8 | 0 | 0 | 113.8 | | |
| 964 | Q | 34.1 | Very low | 32.6 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 64% | 0.64 | 75% | 0.747 | S | S | * | * | | | trans | 59.2 | 142.3 | 144.4 | -63.6 | -174.9 | 17.3 | 0 | 0 | 122.3 | | |
| 965 | Q | 33.7 | Very low | 32.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | trans | 42.4 | 102.8 | 138.8 | -58.2 | 172.1 | 30.4 | 0 | 0 | 117.1 | | |
| 966 | G | 33.5 | Very low | 32.7 | Very low | 66 Ų | 66 | 137.9 Ų | 137.9 | 68% | 0.68 | 74% | 0.744 | S | S | * | * | | | cis | 107.5 | 166.6 | 13.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 967 | L | 37.5 | Very low | 32.6 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 75% | 0.751 | S | S | * | * | | | trans | 65.4 | 138.7 | -170.5 | -43.9 | 173.6 | 0 | 0 | 0 | 113.1 | | |
| 968 | R | 35.7 | Very low | 32.7 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 73% | 0.725 | 75% | 0.747 | S | S | * | * | | | cis | -178.3 | 141.2 | -10.9 | -116 | 173.5 | -177.4 | 172.5 | 2.7 | 104.7 | | |
| 969 | K | 37.1 | Very low | 32.6 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | | | trans | 63 | 160.9 | 148.4 | -64.3 | 165.7 | 165.7 | -97.1 | 0 | 116 | | |
| 970 | E | 38.6 | Very low | 32.6 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | cis | -144.5 | 121.7 | -15.2 | -115.1 | 141.7 | -160 | 0 | 0 | 104.9 | | |
| 971 | A | 31.7 | Very low | 32.8 | Very low | 85 Ų | 85 | 149.2 Ų | 149.2 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | | | | 80.4 | 141.8 | 82.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 972 | R | 32.1 | Very low | 33.1 | Very low | 243 Ų | 243 | 149.8 Ų | 149.8 | 92% | 0.917 | 76% | 0.757 | S | S | * | * | | | trans | 79.9 | 121.3 | -171.4 | -56.9 | 179 | -178.2 | -165.3 | -0.5 | 113.9 | | |
| 973 | T | 31 | Very low | 33 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | cis | -152.4 | 123.7 | -6.8 | 29.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 974 | D | 26 | Very low | 32.7 | Very low | 169 Ų | 169 | 146 Ų | 146 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | | | trans | -162.1 | 106 | 153.2 | -133.8 | -9.7 | 0 | 0 | 0 | 112.7 | | |
| 975 | P | 33.7 | Very low | 32.5 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | | | trans | -133.7 | 150.5 | 162.6 | 40.4 | -27.2 | 0 | 0 | 0 | 111.4 | | |
| 976 | V | 32.9 | Very low | 32.1 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | | | cis | -139.7 | 143 | 23.9 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 977 | N | 30.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | | | trans | -84.8 | 118.9 | 172.1 | -163.7 | -1.4 | 0 | 0 | 0 | 111 | | |
| 978 | R | 34.2 | Very low | 31.1 | Very low | 218 Ų | 218 | 151.4 Ų | 151.4 | 82% | 0.823 | 75% | 0.751 | S | S | * | * | | | trans | 169.8 | 155.6 | 160.1 | -96.4 | 150.8 | -175.8 | -166.4 | 2.7 | 110.5 | | |
| 979 | Q | 30.8 | Very low | 30.9 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | | | cis | 175.7 | 152.3 | -23.3 | -164.9 | -175.6 | -13.5 | 0 | 0 | 105.6 | | |
| 980 | M | 33.5 | Very low | 30.3 | Very low | 159 Ų | 159 | 146.9 Ų | 146.9 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | 68.6 | 162.9 | 167.9 | -46.3 | -157.4 | -56.3 | 0 | 0 | 115.4 | | |
| 981 | V | 31.1 | Very low | 30 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 66% | 0.655 | 76% | 0.763 | S | S | * | * | | | cis | -162.8 | 153.9 | -19.7 | 126.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 982 | E | 33.2 | Very low | 30 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | trans | 42.7 | 127.7 | 155.2 | -70.2 | 163.5 | -178.8 | 0 | 0 | 124.8 | | |
| 983 | S | 27.3 | Very low | 29.9 | Very low | 99 Ų | 99 | 143.8 Ų | 143.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | | 85.8 | 134.3 | 123.1 | 76.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 984 | D | 28.4 | Very low | 30.4 | Very low | 138 Ų | 138 | 142.3 Ų | 142.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | | | | 33.8 | 101.4 | 129.4 | -58.1 | 1.1 | 0 | 0 | 0 | 120.2 | | |
| 985 | K | 30.3 | Very low | 30.6 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 82% | 0.817 | 73% | 0.731 | S | S | * | * | | | | -175.4 | 141.9 | 98.3 | -96.2 | 147.2 | -168.4 | 158.5 | 0 | 115.2 | | |
| 986 | L | 25.6 | Very low | 30.6 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | | | trans | 40.1 | 114.4 | 137.2 | -57.3 | 173.1 | 0 | 0 | 0 | 120.8 | | |
| 987 | H | 25.3 | Very low | 30.6 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 68% | 0.676 | 72% | 0.716 | S | S | * | * | | | | 94.5 | 147.8 | 119.6 | -75.8 | -17 | 0 | 0 | 0 | 122.7 | | |
| 988 | F | 24.3 | Very low | 30.8 | Very low | 180 Ų | 180 | 140.3 Ų | 140.3 | 79% | 0.789 | 71% | 0.713 | S | S | * | * | | | trans | 50.2 | 103.8 | 162.1 | -58.9 | -58.8 | 0 | 0 | 0 | 120.1 | | |
| 989 | M | 31.3 | Very low | 30.7 | Very low | 186 Ų | 186 | 136 Ų | 136 | 92% | 0.916 | 71% | 0.705 | S | S | * | * | | | | 159.9 | 152.5 | 113.2 | -84.7 | 179.3 | 73.1 | 0 | 0 | 109.2 | | |
| 990 | A | 25.6 | Very low | 30.7 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | | | cis | -167.9 | 166.5 | -26.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 991 | T | 30.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 135.6 Ų | 135.6 | 85% | 0.853 | 71% | 0.708 | S | S | * | * | | | trans | 69.3 | 157.9 | 168.9 | 82.9 | 0 | 0 | 0 | 0 | 115.8 | | |
| 992 | V | 32.9 | Very low | 30.7 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 83% | 0.83 | 71% | 0.712 | S | S | * | * | | | cis | -145.2 | 174.2 | -6.6 | 98.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 993 | K | 29.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 134.1 Ų | 134.1 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | | | trans | -62.7 | 170.6 | -172.7 | -87.1 | -174.3 | 172.4 | -170.9 | 0 | 118.5 | P840 | P840-K993 PolarHBondContact O-NZ 3.42Š|
| 994 | P | 41 | Very low | 31 | Very low | 95 Ų | 95 | 133.9 Ų | 133.9 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | | | trans | -97.1 | -169.7 | -176.6 | 42.4 | -39 | 0 | 0 | 0 | 112.8 | | |
| 995 | L | 29.9 | Very low | 31.2 | Very low | 116 Ų | 116 | 136.8 Ų | 136.8 | 61% | 0.607 | 72% | 0.72 | S | S | * | * | | | trans | -178.2 | 154.3 | 139.7 | -103.2 | 147.9 | 0 | 0 | 0 | 114.8 | E843 | E843-L995 HydrophobicContact CG-CD2 4.31Å; E843-L995 WeakPolarHBondContact OE2-CD2 3.44Å |
| 996 | R | 34.6 | Very low | 31.4 | Very low | 199 Ų | 199 | 133.1 Ų | 133.1 | 75% | 0.751 | 71% | 0.713 | S | S | * | * | | | trans | 74.8 | 130.2 | 156.4 | -67.5 | 160.5 | -169.1 | -175.5 | 2.7 | 117.3 | E843 | E843-R996 PolarHBondContact OE2-N 3.08Š|
| 997 | N | 33 | Very low | 31.6 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 42% | 0.417 | 71% | 0.711 | S | S | . | * | | | cis | 65.8 | 145.3 | 41.5 | -44.3 | -53.2 | 0 | 0 | 0 | 111.3 | E843 K845 | E843-N997 PolarHBondContact OE1-ND2 2.89Å; E843-N997 PolarHBondContact OE2-ND2 3.45Å; K845-N997 PolarHBondContact NZ-ND2 3.3Å; K845-N997 PolarHBondContact NZ-OD1 3.21Å |
| 998 | V | 34.9 | Very low | 31.9 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 76% | 0.758 | 71% | 0.709 | S | S | * | * | | | cis | -150.2 | 130.8 | 31.1 | 162 | 0 | 0 | 0 | 0 | 106.4 | | |
| 999 | L | 30.9 | Very low | 32.2 | Very low | 128 Ų | 128 | 129 Ų | 129 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | | | | 70.8 | 88.5 | 71.7 | -96.5 | 170.4 | 0 | 0 | 0 | 115.9 | V1001 | L999-V1001 HydrophobicContact CB-CG2 3.91Å; L999-V1001 HydrophobicContact CD2-CG2 3.72Å; L999-V1001 HydrophobicContact CG-CG2 4.34Å; L999-V1001 WeakPolarHBondContact O-CG2 3.09Å |
| 1000 | E | 32.3 | Very low | 32.2 | Very low | 197 Ų | 197 | 122.6 Ų | 122.6 | 92% | 0.921 | 68% | 0.678 | S | S | * | * | | | trans | -100.6 | 123.1 | 132.7 | -67.7 | -174.2 | 141.9 | 0 | 0 | 105.7 | | |
| 1001 | V | 31 | Very low | 32.8 | Very low | 98 Ų | 98 | 123 Ų | 123 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | | | cis | 83.4 | 83.8 | 19.2 | -165.3 | 0 | 0 | 0 | 0 | 115 | L999 | L999-V1001 HydrophobicContact CB-CG2 3.91Å; L999-V1001 HydrophobicContact CD2-CG2 3.72Å; L999-V1001 HydrophobicContact CG-CG2 4.34Å; L999-V1001 WeakPolarHBondContact O-CG2 3.09Å |
| 1002 | S | 32.7 | Very low | 32.7 | Very low | 108 Ų | 108 | 123.5 Ų | 123.5 | 76% | 0.755 | 67% | 0.672 | S | S | * | * | | | trans | -129.1 | 97.5 | 135 | 50.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1003 | N | 35.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | | | trans | 47.3 | 96.3 | 134.1 | -50.5 | -26.5 | 0 | 0 | 0 | 117.3 | | |
| 1004 | A | 30.9 | Very low | 32.5 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 78% | 0.777 | 68% | 0.679 | S | S | * | * | | | cis | 86.3 | 90.5 | 38.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1005 | K | 34.6 | Very low | 31.9 | Very low | 198 Ų | 198 | 126.6 Ų | 126.6 | 86% | 0.861 | 68% | 0.684 | S | S | * | * | | | trans | -149.7 | 121.9 | 139.8 | -97 | 179.1 | -178.1 | 175.8 | 0 | 104.4 | | |
| 1006 | T | 33 | Very low | 31.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 68% | 0.681 | 69% | 0.693 | S | S | * | * | | | cis | 52.3 | 119 | 47.3 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1007 | M | 30.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 123.7 Ų | 123.7 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | | | cis | -154.9 | 159.1 | 8.6 | -130.9 | 175.5 | -131.9 | 0 | 0 | 108.2 | F1009 | M1007-F1009 HydrophobicContact CE-CD2 4.12Å; M1007-F1009 HydrophobicContact CE-CE2 3.39Å; M1007-F1009 HydrophobicContact CE-CZ 3.84Å; M1007-F1009 HydrophobicContact CG-CD2 4.33Å; M1007-F1009 HydrophobicContact SD-CD2 3.61Å; M1007-F1009 HydrophobicContact SD-CE2 3.46Å; M1007-F1009 WeakPolarHBondContact SD-CE2 3.04Å; M1007-F1009 HydrophobicContact SD-CZ 4.43Å |
| 1008 | P | 31.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | | | | -135.2 | -177.9 | 74 | 32.5 | -12.8 | 0 | 0 | 0 | 114.2 | P853 | P853-P1008 VanDerWaalsContact CD-CB 3.45Å; P853-P1008 HydrophobicContact CG-CB 3.77Å; P853-P1008 HydrophobicContact CG-CG 4.37Å |
| 1009 | F | 30.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 63% | 0.627 | 71% | 0.706 | S | S | * | * | | | trans | -87.5 | 175.5 | -165.9 | -100.6 | -71.8 | 0 | 0 | 0 | 116.3 | L852 P853 M1007 | L852-F1009 CarbonylContact C-O 3.22Å; L852-F1009 VanDerWaalsContact C-O 3.22Å; L852-F1009 VanDerWaalsContact CB-O 3.32Å; L852-F1009 WeakPolarHBondContact CB-O 3.21Å; P853-F1009 VanDerWaalsContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CB-O 3.24Å; P853-F1009 WeakPolarHBondContact CD-O 3.49Å; P853-F1009 HydrophobicContact CG-CB 4.42Å; P853-F1009 WeakPolarHBondContact CG-O 3.47Å; M1007-F1009 HydrophobicContact CE-CD2 4.12Å; M1007-F1009 HydrophobicContact CE-CE2 3.39Å; M1007-F1009 HydrophobicContact CE-CZ 3.84Å; M1007-F1009 HydrophobicContact CG-CD2 4.33Å; M1007-F1009 HydrophobicContact SD-CD2 3.61Å; M1007-F1009 HydrophobicContact SD-CE2 3.46Å; M1007-F1009 WeakPolarHBondContact SD-CE2 3.04Å; M1007-F1009 HydrophobicContact SD-CZ 4.43Å |
| 1010 | A | 30.7 | Very low | 30.5 | Very low | 52 Ų | 52 | 124.7 Ų | 124.7 | 43% | 0.43 | 71% | 0.709 | S | S | . | * | | | trans | -74.4 | 160.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | L852 | L852-A1010 HydrophobicContact CD1-CB 4.41Š|
| 1011 | P | 38.7 | Very low | 30.2 | Very low | 73 Ų | 73 | 126.6 Ų | 126.6 | 47% | 0.474 | 71% | 0.708 | S | S | . | * | | | trans | -65.6 | -171.8 | 176.1 | 1.2 | -0.6 | 0 | 0 | 0 | 110 | S851 L852 | S851-P1011 VanDerWaalsContact CA-CD 3.47Å; L852-P1011 VanDerWaalsContact CB-CA 3.42Å; L852-P1011 HydrophobicContact CB-CB 3.94Å; L852-P1011 HydrophobicContact CB-CG 3.63Å; L852-P1011 HydrophobicContact CD1-CB 2.29Å; L852-P1011 HydrophobicContact CD1-CG 2.28Å; L852-P1011 WeakPolarHBondContact CD1-O 3.49Å; L852-P1011 HydrophobicContact CD2-CB 2.82Å; L852-P1011 HydrophobicContact CD2-CG 3.62Å; L852-P1011 HydrophobicContact CG-CB 2.3Å; L852-P1011 HydrophobicContact CG-CG 2.32Å |
| 1012 | L | 29.4 | Very low | 30.1 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | | | | 171.8 | 124.2 | 122.2 | -100.1 | 149.6 | 0 | 0 | 0 | 107.5 | L852 | L852-L1012 HydrophobicContact CD1-CB 4.47Å; L852-L1012 HydrophobicContact CD1-CG 3.95Å |
| 1013 | D | 27.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | | | trans | -63.6 | 145.4 | 152.8 | -56 | -77.1 | 0 | 0 | 0 | 108.1 | | |
| 1014 | L | 30.1 | Very low | 29.6 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | | | trans | -122.5 | 117.9 | 151.9 | -84.6 | 174.7 | 0 | 0 | 0 | 106.9 | | |
| 1015 | D | 27.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 133.4 Ų | 133.4 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | | | trans | -61.7 | 142.1 | 172.9 | -63.2 | -85.1 | 0 | 0 | 0 | 111.3 | | |
| 1016 | D | 27.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 79% | 0.791 | 72% | 0.717 | S | S | * | * | | | trans | -169.8 | 127.5 | 137.2 | -103.7 | -26.6 | 0 | 0 | 0 | 106.8 | | |
| 1017 | V | 28.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 136 Ų | 136 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | | | cis | -137.8 | 135.1 | 15.8 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | I1019 | V1017-I1019 HydrophobicContact CG1-CB 3.8Å; V1017-I1019 HydrophobicContact CG1-CG1 4.07Å; V1017-I1019 VanDerWaalsContact CG1-N 3.31Å |
| 1018 | S | 24.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | | | trans | -116 | 41.2 | 166 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1019 | I | 28 | Very low | 29.1 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 77% | 0.769 | 74% | 0.735 | S | S | * | * | | | trans | -109.2 | 77.3 | 178.1 | -51.6 | 179.1 | 0 | 0 | 0 | 110.1 | V1017 | V1017-I1019 HydrophobicContact CG1-CB 3.8Å; V1017-I1019 HydrophobicContact CG1-CG1 4.07Å; V1017-I1019 VanDerWaalsContact CG1-N 3.31Å |
| 1020 | A | 26.9 | Very low | 29.1 | Very low | 88 Ų | 88 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -148.3 | 40 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1022 | A1020-T1022 VanDerWaalsContact C-N 3.31Å; A1020-T1022 PolarHBondContact O-N 3.16Å |
| 1021 | R | 25.2 | Very low | 29.1 | Very low | 238 Ų | 238 | 136.2 Ų | 136.2 | 90% | 0.898 | 77% | 0.768 | S | S | * | * | | | trans | -83.8 | 76.9 | 158.3 | -89.9 | -170.2 | 172 | -174.3 | -1.3 | 109.3 | L1023 | R1021-L1023 VanDerWaalsContact C-N 3.3Å; R1021-L1023 PolarHBondContact O-N 3.4Å |
| 1022 | T | 28 | Very low | 28.8 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 83.6 | 166 | 19.6 | 0 | 0 | 0 | 0 | 109.8 | A1020 L1024 | A1020-T1022 VanDerWaalsContact C-N 3.31Å; A1020-T1022 PolarHBondContact O-N 3.16Å; T1022-L1024 PolarHBondContact O-N 3.45Å |
| 1023 | L | 26.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -69.2 | 109.8 | 160.9 | -83.2 | 163.3 | 0 | 0 | 0 | 109.2 | R1021 | R1021-L1023 VanDerWaalsContact C-N 3.3Å; R1021-L1023 PolarHBondContact O-N 3.4Å |
| 1024 | L | 31.6 | Very low | 29 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | | | | -88.2 | 122.9 | 127.7 | -86.7 | 76.5 | 0 | 0 | 0 | 105.1 | T1022 | T1022-L1024 PolarHBondContact O-N 3.45Š|
| 1025 | Q | 30.3 | Very low | 29 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | | | | 54.7 | 107.7 | 85.7 | -62.2 | 176.3 | -10 | 0 | 0 | 109.3 | | |
| 1026 | R | 29.4 | Very low | 29.1 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | cis | -148.2 | 161.6 | 38.2 | -81.6 | -179.8 | 166.2 | 125.7 | -4.1 | 110.9 | | |
| 1027 | D | 30.4 | Very low | 29.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | cis | -147.6 | 178.5 | -5.2 | -102.1 | -32.8 | 0 | 0 | 0 | 110.4 | | |
| 1028 | G | 29.2 | Very low | 29.1 | Very low | 79 Ų | 79 | 144.5 Ų | 144.5 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | -79.7 | 173.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1029 | A | 31.9 | Very low | 29.6 | Very low | 93 Ų | 93 | 145.1 Ų | 145.1 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | trans | -100.6 | 136 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1030 | N | 31 | Very low | 29.7 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 94% | 0.941 | 81% | 0.809 | S | S | * | * | | | trans | 177.2 | 142.2 | 145.8 | -89.7 | -30.1 | 0 | 0 | 0 | 108.8 | | |
| 1031 | G | 29.6 | Very low | 29.8 | Very low | 79 Ų | 79 | 154.6 Ų | 154.6 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | 154.1 | 121.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1032 | N | 31.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -66.6 | 137.5 | -163.6 | -68.9 | -37 | 0 | 0 | 0 | 118.6 | | |
| 1033 | V | 31.1 | Very low | 30.7 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | | | | 22.7 | 117.2 | 124.5 | -173.6 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1034 | M | 30 | Very low | 31 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | | | | -171.6 | 157.1 | 116.7 | -105.6 | -147 | -75.7 | 0 | 0 | 114.5 | F1036 | M1034-F1036 HydrophobicContact SD-CE2 4.43Š|
| 1035 | N | 29.7 | Very low | 31.3 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -105.7 | 123.4 | 174.8 | -85 | -59.6 | 0 | 0 | 0 | 111.9 | | |
| 1036 | F | 29.7 | Very low | 31.4 | Very low | 200 Ų | 200 | 146.4 Ų | 146.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | -157 | 139.8 | 151.2 | -79.8 | -76.3 | 0 | 0 | 0 | 107.3 | M1034 | M1034-F1036 HydrophobicContact SD-CE2 4.43Š|
| 1037 | G | 31.7 | Very low | 31.4 | Very low | 71 Ų | 71 | 141.5 Ų | 141.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | cis | -164 | 171.2 | -4.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1038 | F | 25.6 | Very low | 31.4 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -90 | -177.5 | 179.7 | -92.4 | -100 | 0 | 0 | 0 | 112.7 | | |
| 1039 | T | 33.7 | Very low | 31.6 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 81.6 | 126.4 | 170.1 | 71.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1040 | K | 29.6 | Very low | 31.8 | Very low | 197 Ų | 197 | 153.9 Ų | 153.9 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | cis | 103.4 | 113.7 | 34.7 | -84.7 | -179.3 | 176.9 | 178.9 | 0 | 110.6 | | |
| 1041 | R | 30.2 | Very low | 31.8 | Very low | 240 Ų | 240 | 149.4 Ų | 149.4 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | 20.9 | 156.5 | 132.4 | -75.2 | -172.2 | 179.9 | -167.5 | -0.6 | 120.5 | | |
| 1042 | P | 40.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 153 Ų | 153 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | cis | -135.3 | -177.7 | -18.6 | 39 | -21.2 | 0 | 0 | 0 | 113.6 | | |
| 1043 | G | 31.8 | Very low | 32 | Very low | 64 Ų | 64 | 149.8 Ų | 149.8 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | | | trans | -163.1 | 158 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1044 | E | 32.6 | Very low | 32 | Very low | 173 Ų | 173 | 147.4 Ų | 147.4 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | -36.3 | 160.3 | 174.5 | -76.9 | 96.7 | 169.7 | 0 | 0 | 117.8 | | |
| 1045 | E | 36.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -157.9 | -178.8 | 7.8 | -128.9 | 173.5 | 171.6 | 0 | 0 | 113.7 | | |
| 1046 | V | 33.4 | Very low | 32.3 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 66% | 0.661 | 74% | 0.739 | S | S | * | * | | | trans | 27.8 | 105.4 | 156.5 | -178.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1047 | T | 29.3 | Very low | 33 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | | | | 63.9 | 152 | 55 | 81.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1048 | V | 31.3 | Very low | 33 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 70% | 0.697 | 74% | 0.735 | S | S | * | * | | | trans | 84.5 | 93.4 | 165.9 | -168 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1049 | R | 33.2 | Very low | 33.5 | Very low | 226 Ų | 226 | 144.3 Ų | 144.3 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | | | trans | 55.2 | 143 | 131.7 | -63.9 | 177.9 | 168.8 | 163.5 | -5.4 | 122.8 | | |
| 1050 | R | 36 | Very low | 33.5 | Very low | 232 Ų | 232 | 147 Ų | 147 | 88% | 0.875 | 73% | 0.732 | S | S | * | * | | | trans | 70.5 | 153.5 | 156 | -75.6 | 176.2 | 177 | 171.6 | -4.1 | 116.4 | | |
| 1051 | S | 29.9 | Very low | 33.6 | Very low | 81 Ų | 81 | 143.3 Ų | 143.3 | 57% | 0.566 | 73% | 0.726 | S | S | * | * | | | cis | -172.4 | 139.7 | -28.5 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1052 | Q | 32.8 | Very low | 33.4 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | | | trans | 63.9 | 162.2 | 171 | -62.3 | 161.4 | -58 | 0 | 0 | 114 | Y1082 | Q1052-Y1082 HydrophobicContact CB-CE2 4.39Å; Q1052-Y1082 WeakPolarHBondContact CB-OH 3.4Å |
| 1053 | Q | 34.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 43% | 0.43 | 72% | 0.719 | S | S | . | * | | | cis | -178 | 165.3 | -35.7 | 163 | 175.4 | -0 | 0 | 0 | 105.9 | P1080 Y1082 | Q1053-P1080 PolarHBondContact NE2-O 3.34Å; Q1053-Y1082 HydrophobicContact CB-CD2 4.13Å; Q1053-Y1082 HydrophobicContact CB-CE2 3.44Å; Q1053-Y1082 VanDerWaalsContact CB-CE2 3.44Å; Q1053-Y1082 HydrophobicContact CG-CD2 3.81Å; Q1053-Y1082 HydrophobicContact CG-CE2 3.64Å; Q1053-Y1082 PolarHBondContact N-OH 2.91Å; Q1053-Y1082 VanDerWaalsContact N-OH 3.15Å; Q1053-Y1082 WeakPolarHBondContact O-CE1 3.46Å; Q1053-Y1082 VanDerWaalsContact O-CZ 3.27Å; Q1053-Y1082 PolarHBondContact O-OH 3.32Å |
| 1054 | L | 30.8 | Very low | 33.3 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 40% | 0.403 | 72% | 0.718 | S | S | . | * | | | trans | 29.6 | 126.4 | 166.2 | -73.4 | 165 | 0 | 0 | 0 | 121.6 | Y1082 | L1054-Y1082 HydrophobicContact CB-CD1 4.04Å; L1054-Y1082 HydrophobicContact CB-CD2 4.09Å; L1054-Y1082 HydrophobicContact CB-CG 3.71Å; L1054-Y1082 HydrophobicContact CD1-CD2 4.28Å; L1054-Y1082 HydrophobicContact CD1-CG 4.31Å; L1054-Y1082 WeakPolarHBondContact O-CD1 3.19Å |
| 1055 | F | 33.8 | Very low | 33.3 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | | | | -147.3 | 152.3 | 114.2 | -102.8 | -73.7 | 0 | 0 | 0 | 110.2 | Y1082 | F1055-Y1082 HydrophobicContact CD2-CD1 4.21Å; F1055-Y1082 AromaticContact CE2-CD1 3.96Å; F1055-Y1082 HydrophobicContact CE2-CD1 3.96Å |
| 1056 | L | 31 | Very low | 33 | Very low | 139 Ų | 139 | 130 Ų | 130 | 73% | 0.728 | 71% | 0.712 | S | S | * | * | | | trans | -166.1 | 175.2 | -173.5 | -106.1 | 172.1 | 0 | 0 | 0 | 107.1 | | |
| 1057 | P | 44.8 | Very low | 32.9 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | | | | -96.1 | -157.9 | -69.8 | 38.9 | -23.8 | 0 | 0 | 0 | 110.2 | | |
| 1058 | L | 33.1 | Very low | 32.9 | Very low | 153 Ų | 153 | 135 Ų | 135 | 80% | 0.801 | 72% | 0.721 | S | S | * | * | | | trans | 166.1 | 153.3 | 156.7 | -89.9 | 160.9 | 0 | 0 | 0 | 106.7 | | |
| 1059 | E | 34.9 | Very low | 32.9 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | cis | -165.4 | 154.2 | -26.7 | -155 | 179.2 | -131.1 | 0 | 0 | 109.4 | | |
| 1060 | Q | 33.3 | Very low | 33.2 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 86% | 0.855 | 72% | 0.722 | S | S | * | * | | | trans | 162.9 | 131.1 | 151 | -95.9 | 173.8 | 37.5 | 0 | 0 | 109.9 | | |
| 1061 | T | 33.6 | Very low | 32.9 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | | | cis | -154.9 | 159.8 | -22.1 | -9.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1062 | A | 25.1 | Very low | 32.8 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | -77.9 | -167.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1063 | P | 39.5 | Very low | 32.9 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | | | cis | -143.7 | -179.1 | 3.3 | 43.7 | -25 | 0 | 0 | 0 | 117.5 | | |
| 1064 | G | 31.5 | Very low | 32.7 | Very low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | | | trans | 127.1 | 113.9 | 135.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1065 | S | 31.2 | Very low | 32.7 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | 63.7 | 163.1 | 155.5 | 48.8 | 0 | 0 | 0 | 0 | 120 | | |
| 1066 | S | 30.2 | Very low | 32.5 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 55% | 0.545 | 77% | 0.766 | S | S | . | * | | | trans | -91.8 | 177.2 | -176.7 | 66.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1067 | P | 32.2 | Very low | 32.6 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | S | Bend | | -145.2 | 85 | 73.4 | 35.5 | -13.9 | 0 | 0 | 0 | 115.1 | | |
| 1068 | R | 29.5 | Very low | 32 | Very low | 217 Ų | 217 | 139.2 Ų | 139.2 | 82% | 0.819 | 78% | 0.779 | S | S | * | * | | | trans | 163.6 | 105.2 | 145.3 | -94.7 | 173 | 177.1 | -170.1 | -1.4 | 107.7 | | |
| 1069 | E | 31.4 | Very low | 31.9 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 72% | 0.724 | 78% | 0.775 | S | S | * | * | | | cis | 56.5 | 60 | 46.9 | -47.8 | -176.4 | 153.1 | 0 | 0 | 113 | | |
| 1070 | F | 39.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | -153.9 | 38.9 | 154.9 | -104.8 | -69.2 | 0 | 0 | 0 | 111.3 | | |
| 1071 | H | 28.8 | Very low | 32 | Very low | 176 Ų | 176 | 127.7 Ų | 127.7 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | trans | -98.8 | 164.2 | -179.6 | -113 | -98.8 | 0 | 0 | 0 | 112.2 | | |
| 1072 | A | 28.5 | Very low | 31.9 | Very low | 83 Ų | 83 | 126.5 Ų | 126.5 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | | | trans | 71.4 | 132.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1073 | K | 34.9 | Very low | 32.3 | Very low | 206 Ų | 206 | 127 Ų | 127 | 90% | 0.896 | 73% | 0.731 | S | S | * | * | | | cis | -122.2 | 102.7 | 1.3 | -58.2 | 166.8 | -176.1 | 173 | 0 | 107 | | |
| 1074 | V | 30.4 | Very low | 31.9 | Very low | 109 Ų | 109 | 124.6 Ų | 124.6 | 66% | 0.661 | 72% | 0.717 | S | S | * | * | | | | 55.2 | 123 | 67 | -175.9 | 0 | 0 | 0 | 0 | 112.9 | A1076 | V1074-A1076 PolarHBondContact O-N 3.45Š|
| 1075 | L | 29 | Very low | 32 | Very low | 179 Ų | 179 | 127.6 Ų | 127.6 | 94% | 0.937 | 72% | 0.718 | S | S | * | * | | | trans | -58.4 | 124.5 | 177.4 | -72.7 | 155 | 0 | 0 | 0 | 112.1 | | |
| 1076 | A | 31.4 | Very low | 32.1 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | | | trans | -148.2 | 129.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | V1074 | V1074-A1076 PolarHBondContact O-N 3.45Š|
| 1077 | N | 32.7 | Very low | 32.5 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 72% | 0.724 | S | S | * | * | | | cis | -145.2 | 137.2 | 2.3 | -61.3 | -73.7 | 0 | 0 | 0 | 110.7 | | |
| 1078 | V | 32.5 | Very low | 32.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 92% | 0.915 | 73% | 0.726 | S | S | * | * | | | trans | -148.3 | 77.7 | 142.7 | -168.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1079 | A | 30.8 | Very low | 32.7 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | trans | -87.1 | 159.3 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1080 | P | 37.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | | -156.8 | -175.5 | 92.4 | 39.1 | -19.7 | 0 | 0 | 0 | 115.6 | Q1053 | Q1053-P1080 PolarHBondContact NE2-O 3.34Š|
| 1081 | A | 32.9 | Very low | 32.6 | Very low | 54 Ų | 54 | 122.4 Ų | 122.4 | 45% | 0.446 | 72% | 0.72 | S | S | . | * | | | cis | 179.5 | 129 | -45.7 | 0 | 0 | 0 | 0 | 0 | 108 | V1083 | A1081-V1083 HydrophobicContact CB-CG2 4.47Š|
| 1082 | Y | 30.5 | Very low | 33 | Very low | 95 Ų | 95 | 121.4 Ų | 121.4 | 37% | 0.373 | 72% | 0.716 | S | S | . | * | | | trans | -120.9 | 126.3 | 150.8 | -90.6 | -143 | 0 | 0 | 0 | 103.6 | Q1052 Q1053 L1054 F1055 | Q1052-Y1082 HydrophobicContact CB-CE2 4.39Å; Q1052-Y1082 WeakPolarHBondContact CB-OH 3.4Å; Q1053-Y1082 HydrophobicContact CB-CD2 4.13Å; Q1053-Y1082 HydrophobicContact CB-CE2 3.44Å; Q1053-Y1082 VanDerWaalsContact CB-CE2 3.44Å; Q1053-Y1082 HydrophobicContact CG-CD2 3.81Å; Q1053-Y1082 HydrophobicContact CG-CE2 3.64Å; Q1053-Y1082 PolarHBondContact N-OH 2.91Å; Q1053-Y1082 VanDerWaalsContact N-OH 3.15Å; Q1053-Y1082 WeakPolarHBondContact O-CE1 3.46Å; Q1053-Y1082 VanDerWaalsContact O-CZ 3.27Å; Q1053-Y1082 PolarHBondContact O-OH 3.32Å; L1054-Y1082 HydrophobicContact CB-CD1 4.04Å; L1054-Y1082 HydrophobicContact CB-CD2 4.09Å; L1054-Y1082 HydrophobicContact CB-CG 3.71Å; L1054-Y1082 HydrophobicContact CD1-CD2 4.28Å; L1054-Y1082 HydrophobicContact CD1-CG 4.31Å; L1054-Y1082 WeakPolarHBondContact O-CD1 3.19Å; F1055-Y1082 HydrophobicContact CD2-CD1 4.21Å; F1055-Y1082 AromaticContact CE2-CD1 3.96Å; F1055-Y1082 HydrophobicContact CE2-CD1 3.96Å |
| 1083 | V | 33.8 | Very low | 33.4 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.606 | 72% | 0.718 | S | S | * | * | | | cis | 74.1 | 116.5 | 28.2 | -169.1 | 0 | 0 | 0 | 0 | 111.6 | A1081 | A1081-V1083 HydrophobicContact CB-CG2 4.47Š|
| 1084 | S | 30.3 | Very low | 33.4 | Very low | 79 Ų | 79 | 127 Ų | 127 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | | | cis | -160.7 | -161.2 | -11.7 | 47.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1085 | D | 34.8 | Very low | 33.6 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 72% | 0.72 | S | S | * | * | | | trans | 78.3 | 107.4 | 162.7 | -40.8 | -19.3 | 0 | 0 | 0 | 114.4 | | |
| 1086 | E | 33.3 | Very low | 33.7 | Very low | 174 Ų | 174 | 127.2 Ų | 127.2 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | | | | 97.7 | 142.9 | 95.3 | -85.2 | -178.4 | -161.7 | 0 | 0 | 111.2 | | |
| 1087 | E | 37.2 | Very low | 33.9 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | | | cis | -154 | 170.7 | -23.6 | -141.9 | 179.3 | -163.3 | 0 | 0 | 109 | | |
| 1088 | D | 34.6 | Very low | 33.9 | Very low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | | | trans | 22.5 | 118.2 | 164.4 | -93.8 | -6 | 0 | 0 | 0 | 122.8 | | |
| 1089 | A | 32.6 | Very low | 33.9 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | -159.8 | 56.9 | 144.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1090 | S | 32.7 | Very low | 34.4 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 86% | 0.86 | 70% | 0.702 | S | S | * | * | | | trans | 67.5 | 156.7 | 152.6 | 86.8 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1091 | A | 35.4 | Very low | 34.2 | Very low | 77 Ų | 77 | 132 Ų | 132 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | | | cis | -156.1 | 146.8 | -3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1092 | Q | 37.3 | Very low | 34.5 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | 68 | 139.1 | 156.9 | -56.9 | -173.1 | 32 | 0 | 0 | 117.6 | | |
| 1093 | R | 35.9 | Very low | 34.5 | Very low | 193 Ų | 193 | 147 Ų | 147 | 73% | 0.728 | 76% | 0.76 | S | S | * | * | | | cis | -158.6 | 136.5 | 0 | -116.3 | 167.1 | -165.8 | -163.8 | 6.2 | 110.7 | | |
| 1094 | R | 35.2 | Very low | 34.2 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | 53.1 | 97.9 | 148.7 | -65.3 | 179.1 | 179.2 | 178.3 | -2.2 | 118.2 | | |
| 1095 | T | 35.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 146.8 Ų | 146.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | | 74.5 | 108.7 | 73.6 | 65 | 0 | 0 | 0 | 0 | 116 | | |
| 1096 | E | 29.8 | Very low | 33.9 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -46.3 | 165.6 | 145.4 | -124.2 | -173.6 | -113.7 | 0 | 0 | 112.6 | | |
| 1097 | P | 37.5 | Very low | 33.9 | Very low | 112 Ų | 112 | 146.4 Ų | 146.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | | -153 | 164.6 | 69 | 41 | -20.7 | 0 | 0 | 0 | 119.3 | | |
| 1098 | V | 30.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | | | trans | -49.1 | 151.8 | 161.4 | 177.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1099 | K | 34.1 | Very low | 33.9 | Very low | 193 Ų | 193 | 145.3 Ų | 145.3 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -164.4 | 127 | 151.7 | -109.3 | 153.9 | -170.7 | 170.4 | 0 | 114 | | |
| 1100 | P | 41.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -86.3 | 148.7 | 149.7 | 33.7 | -30.5 | 0 | 0 | 0 | 111.5 | | |
| 1101 | D | 33.1 | Very low | 33.7 | Very low | 160 Ų | 160 | 145.7 Ų | 145.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | | | trans | 43.9 | 85 | 158.1 | -63.9 | -21.1 | 0 | 0 | 0 | 120.9 | | |
| 1102 | R | 38 | Very low | 33.4 | Very low | 255 Ų | 255 | 150.3 Ų | 150.3 | 96% | 0.962 | 78% | 0.779 | S | S | * | * | | | | -142.7 | 136.1 | 122.2 | -109.5 | 178.6 | -176 | -176.6 | 0.9 | 111.1 | | |
| 1103 | K | 31.1 | Very low | 32.9 | Very low | 208 Ų | 208 | 149.5 Ų | 149.5 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | | | trans | -63 | 153.6 | 175.7 | -71.6 | 179.8 | -177.9 | -179.3 | 0 | 111.4 | | |
| 1104 | A | 27.9 | Very low | 32.5 | Very low | 88 Ų | 88 | 147.9 Ų | 147.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | cis | -166.6 | 176.7 | -10.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1105 | A | 31 | Very low | 32.7 | Very low | 86 Ų | 86 | 147.3 Ų | 147.3 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | trans | 67.5 | 110 | 158 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1106 | Q | 28.9 | Very low | 32.7 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | | | trans | 60.1 | 137.4 | 133 | -66.2 | 178.6 | -27.7 | 0 | 0 | 122.7 | | |
| 1107 | S | 32.3 | Very low | 32.8 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | | | trans | 56.2 | 98.2 | 152.1 | 58.1 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1108 | E | 31.8 | Very low | 32.7 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 78% | 0.781 | S | S | * | * | | | | 64.7 | 163.5 | 117.7 | -96 | -172.8 | -169.2 | 0 | 0 | 121 | | |
| 1109 | P | 40.9 | Very low | 32.9 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 69% | 0.688 | 79% | 0.79 | S | S | * | * | | | | -132 | -166.2 | -117.6 | 36.8 | -15.3 | 0 | 0 | 0 | 116.7 | | |
| 1110 | V | 29.2 | Very low | 32.9 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 75% | 0.745 | 78% | 0.781 | S | S | * | * | | | trans | 97.8 | 138.6 | 160.8 | -168.2 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1111 | S | 31.2 | Very low | 32.6 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | 64 | 130.7 | 169.8 | 44.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1112 | Q | 29.1 | Very low | 32.7 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | cis | 104.1 | 142.8 | 22.7 | -176.9 | 178.6 | 3.5 | 0 | 0 | 113.4 | | |
| 1113 | L | 27.4 | Very low | 32.2 | Very low | 138 Ų | 138 | 142 Ų | 142 | 72% | 0.723 | 77% | 0.774 | S | S | * | * | | | trans | 81.5 | 134.6 | 168.3 | -87.2 | 156.1 | 0 | 0 | 0 | 119.5 | | |
| 1114 | Q | 27.6 | Very low | 32.3 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | | | trans | 63.1 | 130.4 | 163.3 | -55.8 | 175.3 | 9.4 | 0 | 0 | 115.8 | | |
| 1115 | R | 37.9 | Very low | 32.8 | Very low | 201 Ų | 201 | 142.3 Ų | 142.3 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | cis | -145 | 131.3 | 39.8 | -76.2 | 176.9 | 177.6 | 167.4 | 0.4 | 112 | | |
| 1116 | M | 36.8 | Very low | 33.1 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | | 77.6 | 114.8 | 106.7 | -61.2 | -172.8 | -31.8 | 0 | 0 | 114.3 | | |
| 1117 | L | 30.6 | Very low | 33.3 | Very low | 180 Ų | 180 | 141 Ų | 141 | 94% | 0.942 | 77% | 0.768 | S | S | * | * | | | | 80.9 | 116.2 | 65.3 | -91.2 | 158.3 | 0 | 0 | 0 | 114.1 | | |
| 1118 | G | 36.3 | Very low | 33.1 | Very low | 67 Ų | 67 | 141.5 Ų | 141.5 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | 167.9 | 136.4 | 160 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1119 | V | 34.6 | Very low | 33 | Very low | 136 Ų | 136 | 139.9 Ų | 139.9 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | | | cis | -151.4 | 133.4 | -9.8 | -179 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1120 | G | 34.6 | Very low | 32.7 | Very low | 62 Ų | 62 | 141.5 Ų | 141.5 | 64% | 0.639 | 76% | 0.758 | S | S | * | * | | | trans | 78.4 | 155.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1121 | Y | 34 | Very low | 33.1 | Very low | 212 Ų | 212 | 140.9 Ų | 140.9 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | | | cis | -151.8 | 149.8 | -6.4 | -92 | -79.6 | 0 | 0 | 0 | 109.9 | | |
| 1122 | K | 34.9 | Very low | 33.8 | Very low | 182 Ų | 182 | 142.6 Ų | 142.6 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | | | trans | 46.6 | 118 | 159.8 | -61.5 | -177 | 178.1 | -172.6 | 0 | 117.9 | | |
| 1123 | T | 29.3 | Very low | 34 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | cis | 59 | 111.6 | 37.8 | 80.1 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1124 | V | 32.3 | Very low | 34.4 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | | | trans | 80.3 | 146.6 | 133.1 | 170.3 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1125 | E | 39.1 | Very low | 34.6 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | 62.6 | 146.1 | 171.6 | -74.6 | 142 | -154.6 | 0 | 0 | 117.3 | | |
| 1126 | G | 36.8 | Very low | 34.4 | Very low | 65 Ų | 65 | 135.3 Ų | 135.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | cis | -135.6 | 155.9 | -17.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1127 | Q | 33.5 | Very low | 34 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | | 65.7 | 106.6 | 52 | -148.6 | 176.8 | 20 | 0 | 0 | 114.2 | | |
| 1128 | N | 27.8 | Very low | 34.2 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | 69.2 | 155.9 | 148 | -74.9 | 27.9 | 0 | 0 | 0 | 122.7 | | |
| 1129 | E | 28.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | | | trans | 57.7 | 108.3 | 147.2 | -72.3 | 152.2 | -114.4 | 0 | 0 | 118.8 | | |
| 1130 | D | 34.7 | Very low | 33.8 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | | -161.5 | 136.3 | 99.9 | -101 | -10.2 | 0 | 0 | 0 | 110.6 | | |
| 1131 | V | 39.2 | Very low | 34.1 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | | 78.1 | 124.9 | 71.8 | 113.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1132 | L | 45.7 | Very low | 34.3 | Very low | 139 Ų | 139 | 141 Ų | 141 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | | | cis | -127.1 | 171.9 | 17.6 | -66.3 | 111.7 | 0 | 0 | 0 | 111.7 | | |
| 1133 | S | 32.2 | Very low | 34.4 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 57% | 0.566 | 74% | 0.738 | S | S | * | * | | | cis | 62.8 | 143.9 | 41.9 | 144.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1134 | Q | 35.2 | Very low | 34.7 | Very low | 168 Ų | 168 | 139.5 Ų | 139.5 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | | | cis | -149.8 | 145.4 | 3.5 | -119.6 | 161.2 | 27.6 | 0 | 0 | 108.3 | | |
| 1135 | S | 32.8 | Very low | 35 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | | | | 94.3 | 130.6 | 111 | 69.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1136 | E | 34.5 | Very low | 34.9 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | 67.2 | 109.7 | 135.5 | -70 | 177.6 | -158.6 | 0 | 0 | 122.9 | | |
| 1137 | Y | 27.7 | Very low | 34.5 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | | | | 68.5 | 135.2 | 117.2 | -124.2 | -92.1 | 0 | 0 | 0 | 121.1 | | |
| 1138 | R | 34.8 | Very low | 34.7 | Very low | 244 Ų | 244 | 139.4 Ų | 139.4 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | | | trans | 63.3 | 147 | -166.4 | -57.1 | 179.9 | 169.7 | -164.4 | -2.8 | 112.8 | | |
| 1139 | G | 33.1 | Very low | 35.3 | Very low | 62 Ų | 62 | 140.9 Ų | 140.9 | 64% | 0.639 | 74% | 0.736 | S | S | * | * | | | cis | 155.3 | 128.1 | -7.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1140 | T | 29.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 74% | 0.736 | S | S | * | * | | | trans | 46.5 | 92.2 | 159.2 | 56.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1141 | T | 40.8 | Very low | 35.8 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | | -145 | 118.1 | 110.7 | 25.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1142 | E | 38.7 | Very low | 35.6 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | | | | 67.9 | 135.7 | 86.7 | -68.8 | -159 | 157.7 | 0 | 0 | 113.1 | | |
| 1143 | K | 36.9 | Very low | 35.1 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 64% | 0.635 | 72% | 0.724 | S | S | * | * | | | cis | -161.8 | 162.6 | -0.3 | -100.4 | 160.2 | 174.8 | 150.7 | 0 | 105.5 | | |
| 1144 | M | 34.8 | Very low | 35.4 | Very low | 125 Ų | 125 | 143.1 Ų | 143.1 | 62% | 0.616 | 73% | 0.732 | S | S | * | * | | | cis | -160.5 | 150 | 6.7 | -135.6 | -172.5 | -68.8 | 0 | 0 | 109.8 | | |
| 1145 | R | 39.1 | Very low | 35.7 | Very low | 222 Ų | 222 | 139.3 Ų | 139.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | | | trans | 63.1 | 135.4 | 156.1 | -61.5 | 172.2 | -164.3 | -161 | 1.8 | 118.2 | | |
| 1146 | A | 36.4 | Very low | 36.1 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 73% | 0.726 | S | S | * | * | | | cis | -156.4 | 144.1 | -16.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1147 | V | 28.6 | Very low | 36.1 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | | | cis | 73.7 | 126.8 | 21.9 | -173 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1148 | P | 37.4 | Very low | 36.7 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | | | cis | -135.6 | -125.9 | -26.3 | 40.7 | -21.7 | 0 | 0 | 0 | 111.1 | | |
| 1149 | L | 41.6 | Very low | 36.3 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | | | trans | 79.4 | 114.1 | 173.8 | -54.2 | 176.5 | 0 | 0 | 0 | 114.3 | | |
| 1150 | R | 30.4 | Very low | 36.2 | Very low | 194 Ų | 194 | 133.7 Ų | 133.7 | 73% | 0.732 | 71% | 0.711 | S | S | * | * | | | cis | 54.9 | 115.8 | 18.1 | -68.7 | -173.8 | 166.8 | -156.3 | 2.8 | 112.7 | V1152 | R1150-V1152 HydrophobicContact CB-CG2 3.64Å; R1150-V1152 HydrophobicContact CG-CG2 3.55Å |
| 1151 | P | 43.1 | Very low | 36.2 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 70% | 0.704 | S | S | * | * | | | | -111.1 | 154.7 | 63.3 | -6.3 | 27 | 0 | 0 | 0 | 114.3 | | |
| 1152 | V | 34.3 | Very low | 36 | Very low | 62 Ų | 62 | 135.3 Ų | 135.3 | 38% | 0.376 | 70% | 0.704 | S | S | . | * | | | cis | 87.2 | 122.6 | 17.6 | 179.4 | 0 | 0 | 0 | 0 | 115.6 | R1150 | R1150-V1152 HydrophobicContact CB-CG2 3.64Å; R1150-V1152 HydrophobicContact CG-CG2 3.55Å |
| 1153 | H | 34.5 | Very low | 35.7 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | trans | 65.5 | 162.5 | 164.7 | -64.2 | -27.1 | 0 | 0 | 0 | 115.2 | | |
| 1154 | N | 39.6 | Very low | 35.2 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 72% | 0.715 | S | S | * | * | | | cis | -118.2 | 130.6 | 13.6 | -85.5 | -58.2 | 0 | 0 | 0 | 110.5 | | |
| 1155 | T | 41.5 | Very low | 35.3 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | | | | 64.5 | 155.8 | 83.2 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1156 | E | 40.1 | Very low | 34.8 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 72% | 0.718 | S | S | * | * | | | cis | -147.7 | 173.5 | 25.3 | -73.8 | -177.1 | 179.2 | 0 | 0 | 109.4 | | |
| 1157 | L | 34.5 | Very low | 34.9 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | cis | -157 | 163.6 | -24.9 | -101.1 | 165.9 | 0 | 0 | 0 | 106 | | |
| 1158 | P | 41.3 | Very low | 35.6 | Very low | 96 Ų | 96 | 135 Ų | 135 | 62% | 0.623 | 72% | 0.723 | S | S | * | * | | | trans | -93.6 | -175.3 | -175.2 | 39.7 | -36.8 | 0 | 0 | 0 | 113.5 | | |
| 1159 | T | 26.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 76% | 0.761 | 72% | 0.722 | S | S | * | * | | | trans | 59.5 | 111.1 | 161.2 | 53.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1160 | L | 29.5 | Very low | 35.3 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 78% | 0.775 | 72% | 0.723 | S | S | * | * | | | | -166.1 | 171.2 | 92.7 | -139 | 68 | 0 | 0 | 0 | 112.4 | | |
| 1161 | N | 30.3 | Very low | 35.4 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | -19.1 | 133.5 | 166 | -51.5 | -26.8 | 0 | 0 | 0 | 117.4 | | |
| 1162 | Q | 37.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | | -177.8 | 136.2 | 121 | -100 | 170.8 | 50.6 | 0 | 0 | 113.3 | | |
| 1163 | Y | 32.2 | Very low | 34.7 | Very low | 182 Ų | 182 | 142.2 Ų | 142.2 | 71% | 0.714 | 75% | 0.748 | S | S | * | * | | | trans | 53.6 | 132.6 | 154.3 | -64.3 | -62.6 | 0 | 0 | 0 | 120.5 | | |
| 1164 | Q | 26.5 | Very low | 34.6 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | | 44.6 | 128.6 | 91.9 | -57.3 | 176.7 | -3.3 | 0 | 0 | 112.8 | | |
| 1165 | A | 35.2 | Very low | 34.2 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 69% | 0.694 | 75% | 0.754 | S | S | * | * | | | cis | -148.1 | 142.3 | 44.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1166 | T | 30.4 | Very low | 33.7 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | | | | 28.1 | 125.4 | 93.1 | 58.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1167 | S | 37.7 | Very low | 34 | Very low | 107 Ų | 107 | 145.9 Ų | 145.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | cis | -148.7 | -166.2 | 11.7 | 63.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1168 | L | 43.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 147.8 Ų | 147.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | cis | -156.2 | 171.4 | 14.9 | -138.6 | 174.1 | 0 | 0 | 0 | 108.8 | | |
| 1169 | G | 36 | Very low | 33.3 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | 94.1 | 93.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1170 | N | 35.9 | Very low | 33.9 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -71.5 | 147.8 | 179.8 | -64.9 | -43.3 | 0 | 0 | 0 | 111.6 | | |
| 1171 | R | 32.8 | Very low | 34.3 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | | 57.6 | 99.4 | 57.1 | -75.9 | -172.7 | 173.1 | 179.9 | -0.5 | 112.8 | | |
| 1172 | T | 32.1 | Very low | 34.2 | Very low | 115 Ų | 115 | 153.1 Ų | 153.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | | 50.5 | 110.3 | 90.5 | 68 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1173 | R | 30.8 | Very low | 34.3 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | | 169.8 | 129.1 | 104.9 | -91.8 | 179 | 177.8 | -178.5 | -1.6 | 113.5 | | |
| 1174 | V | 31.4 | Very low | 34.1 | Very low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | | | trans | 28.4 | 109.7 | 136.4 | -160.1 | 0 | 0 | 0 | 0 | 119 | | |
| 1175 | R | 31 | Very low | 34.2 | Very low | 212 Ų | 212 | 140 Ų | 140 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | | | | 178.2 | 136.2 | 110.4 | -98.3 | -166.8 | -177.8 | -155 | 1.1 | 114.5 | | |
| 1176 | Q | 32.3 | Very low | 34 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | 65.8 | 161.7 | 149.6 | -74.2 | -178.3 | -64.8 | 0 | 0 | 119.1 | | |
| 1177 | P | 45.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | trans | -115.9 | 145.3 | -148.5 | 39.7 | -29.7 | 0 | 0 | 0 | 116.2 | | |
| 1178 | E | 34.2 | Very low | 34 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -130.8 | 131.6 | 162.7 | -75.1 | -177.5 | 159.4 | 0 | 0 | 106.6 | | |
| 1179 | Y | 26.9 | Very low | 33.2 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | | 67.5 | 128 | 78.7 | -94.2 | -80.4 | 0 | 0 | 0 | 114.4 | | |
| 1180 | N | 39.3 | Very low | 33.6 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | | | trans | 63.2 | 163.8 | 175.6 | -48.3 | -32.7 | 0 | 0 | 0 | 114 | | |
| 1181 | G | 38.8 | Very low | 33.6 | Very low | 61 Ų | 61 | 151.7 Ų | 151.7 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | | | cis | -155.7 | 166.2 | -6.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1182 | Q | 27.8 | Very low | 33.2 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | | 44.3 | 87.1 | 58.4 | -74.1 | -174.4 | -39.2 | 0 | 0 | 111.7 | S1184 | Q1182-S1184 VanDerWaalsContact C-OG 3.23Š|
| 1183 | G | 40.5 | Very low | 33.3 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | 179.6 | 67.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1184 | S | 27 | Very low | 33.1 | Very low | 89 Ų | 89 | 137.8 Ų | 137.8 | 62% | 0.622 | 76% | 0.756 | S | S | * | * | | | cis | 50.8 | 34.1 | 25.6 | 91.7 | 0 | 0 | 0 | 0 | 114.7 | Q1182 | Q1182-S1184 VanDerWaalsContact C-OG 3.23Š|
| 1185 | A | 30.3 | Very low | 33 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | | | trans | -108.6 | 109.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1186 | Q | 29.5 | Very low | 32.9 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | | | | 69.3 | 113 | 62.2 | -62.1 | 174.4 | -31.2 | 0 | 0 | 110.8 | | |
| 1187 | Y | 35 | Very low | 32.9 | Very low | 210 Ų | 210 | 130.3 Ų | 130.3 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | | | | 63.1 | 62.2 | 74.7 | -70.2 | -70.3 | 0 | 0 | 0 | 111.8 | T1189 | Y1187-T1189 WeakPolarHBondContact CA-OG1 3.46Å; Y1187-T1189 WeakPolarHBondContact CB-OG1 3.43Å; Y1187-T1189 WeakPolarHBondContact O-CB 3.3Å; Y1187-T1189 PolarHBondContact O-OG1 3.27Å |
| 1188 | T | 33 | Very low | 32.2 | Very low | 138 Ų | 138 | 130.6 Ų | 130.6 | 85% | 0.847 | 74% | 0.744 | S | S | * | * | | | trans | -114.6 | 81 | 145.2 | 54.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 1189 | T | 27.3 | Very low | 32 | Very low | 80 Ų | 80 | 128.6 Ų | 128.6 | 49% | 0.491 | 74% | 0.739 | S | S | . | * | | | cis | 70.1 | 67.7 | 49.4 | -46.8 | 0 | 0 | 0 | 0 | 112.8 | Y1187 A1192 | Y1187-T1189 WeakPolarHBondContact CA-OG1 3.46Å; Y1187-T1189 WeakPolarHBondContact CB-OG1 3.43Å; Y1187-T1189 WeakPolarHBondContact O-CB 3.3Å; Y1187-T1189 PolarHBondContact O-OG1 3.27Å; T1189-A1192 HydrophobicContact CG2-CB 3.97Å |
| 1190 | T | 45 | Very low | 32 | Very low | 132 Ų | 132 | 126 Ų | 126 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -159 | 94.9 | 157.5 | 30.3 | 0 | 0 | 0 | 0 | 104.1 | | |
| 1191 | Y | 34.9 | Very low | 31.6 | Very low | 239 Ų | 239 | 124.4 Ų | 124.4 | 94% | 0.937 | 73% | 0.729 | S | S | * | * | S | Bend | cis | -114.3 | 147.6 | 30 | -67.3 | -102.1 | 0 | 0 | 0 | 115.4 | | |
| 1192 | A | 24.8 | Very low | 31.2 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 57% | 0.57 | 74% | 0.735 | S | S | * | * | | | trans | -159.6 | -176.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | T1189 | T1189-A1192 HydrophobicContact CG2-CB 3.97Š|
| 1193 | P | 34.1 | Very low | 31.2 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | cis | -131.6 | -139.4 | -3.3 | 41.9 | -21.5 | 0 | 0 | 0 | 111.7 | | |
| 1194 | A | 27.1 | Very low | 30.6 | Very low | 82 Ų | 82 | 127.1 Ų | 127.1 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | trans | -49.1 | 159.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1195 | V | 29.4 | Very low | 31.2 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | | -150.4 | -174.5 | 66.7 | 160 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1196 | S | 28 | Very low | 31.7 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | | | trans | -67.1 | -179.9 | -168.6 | 51 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1197 | D | 32.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | trans | 95.2 | 111.7 | 151 | -58.4 | -52.9 | 0 | 0 | 0 | 120.9 | | |
| 1198 | T | 31.1 | Very low | 32.4 | Very low | 119 Ų | 119 | 129.3 Ų | 129.3 | 73% | 0.73 | 73% | 0.731 | S | S | * | * | | | trans | 53.5 | 120.6 | 142.6 | 60.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1199 | N | 29.2 | Very low | 32.4 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | 62.4 | 110.8 | 139.1 | -71.8 | -18.5 | 0 | 0 | 0 | 120.2 | | |
| 1200 | L | 27.6 | Very low | 32.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | 67.9 | 140.6 | 153.4 | -75.2 | 76.3 | 0 | 0 | 0 | 114.6 | | |
| 1201 | I | 30.5 | Very low | 31.6 | Very low | 123 Ų | 123 | 130 Ų | 130 | 63% | 0.631 | 75% | 0.748 | S | S | * | * | | | cis | -156.9 | 156.4 | 24 | -140.7 | 162 | 0 | 0 | 0 | 111.1 | | |
| 1202 | Q | 30.6 | Very low | 31.4 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | trans | 59.3 | 125 | 160.2 | -72.7 | 162.8 | 5.4 | 0 | 0 | 118.9 | | |
| 1203 | T | 28.9 | Very low | 31.8 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | cis | -143.5 | 138.5 | -9.8 | 54.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1204 | S | 26.4 | Very low | 31.7 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | | | cis | 60.7 | 152.6 | 46.4 | 83.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1205 | P | 40.9 | Very low | 31.9 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | -136.5 | -172.5 | -56.3 | 39.7 | -25.3 | 0 | 0 | 0 | 111.9 | | |
| 1206 | A | 40.7 | Very low | 32.1 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | | | trans | 77.5 | 122.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1207 | R | 32.9 | Very low | 32.4 | Very low | 232 Ų | 232 | 142.2 Ų | 142.2 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | | | cis | -159.9 | 49.6 | -6.7 | -138.3 | 162.4 | -170.4 | 168.3 | 1.3 | 113.5 | | |
| 1208 | E | 46.2 | Very low | 32.3 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 143.2 | 159.9 | -67.1 | 89.9 | 174.7 | 0 | 0 | 110.8 | | |
| 1209 | A | 32 | Very low | 32.2 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | cis | 82.7 | 39.1 | 24.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1210 | A | 27.9 | Very low | 33 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | trans | -124 | 155.2 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | I1212 | A1210-I1212 PolarHBondContact O-N 3.37Š|
| 1211 | N | 28.1 | Very low | 33.5 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 95% | 0.947 | 78% | 0.784 | S | S | * | * | | | trans | -62.8 | 130.8 | -177.7 | -81.7 | -23 | 0 | 0 | 0 | 112.1 | | |
| 1212 | I | 30.3 | Very low | 33.6 | Very low | 144 Ų | 144 | 146.3 Ų | 146.3 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | trans | -124.1 | 124 | 169.3 | -87.6 | 177.3 | 0 | 0 | 0 | 106.3 | A1210 | A1210-I1212 PolarHBondContact O-N 3.37Š|
| 1213 | L | 33.3 | Very low | 33.5 | Very low | 136 Ų | 136 | 146.4 Ų | 146.4 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | | | trans | 45.2 | 141.1 | 144.6 | -46.6 | 179.3 | 0 | 0 | 0 | 119.5 | | |
| 1214 | E | 33.5 | Very low | 33.6 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | | | cis | -158.2 | 157.8 | -4.4 | -123.5 | 159.5 | 164.4 | 0 | 0 | 109.6 | | |
| 1215 | L | 30.8 | Very low | 34 | Very low | 157 Ų | 157 | 151.7 Ų | 151.7 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -109.6 | 163.4 | 162.4 | -83.8 | 165.7 | 0 | 0 | 0 | 108.7 | | |
| 1216 | D | 32.4 | Very low | 33.4 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | 64.5 | 112.7 | 175.4 | -52.5 | -17.1 | 0 | 0 | 0 | 116.9 | | |
| 1217 | R | 34.1 | Very low | 33 | Very low | 248 Ų | 248 | 152.3 Ų | 152.3 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | | | | -177 | 147.5 | 102 | -96.9 | 165.9 | -170.9 | -166 | 1.9 | 114.4 | | |
| 1218 | E | 30.5 | Very low | 32.8 | Very low | 167 Ų | 167 | 148.8 Ų | 148.8 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | | | trans | -90.3 | -177.3 | -177.2 | -51.8 | 171.2 | 114.3 | 0 | 0 | 113 | | |
| 1219 | M | 30.2 | Very low | 31.8 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | trans | 83 | 121.7 | 158.2 | -72.1 | 175.7 | -91.3 | 0 | 0 | 119 | | |
| 1220 | N | 44.7 | Very low | 31.7 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | -107.6 | 145.3 | 176.6 | -75.6 | -96.9 | 0 | 0 | 0 | 110.4 | | |
| 1221 | L | 38.7 | Very low | 31.8 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 93% | 0.927 | 77% | 0.774 | S | S | * | * | | | trans | -163.5 | 150.2 | 164.2 | -100.9 | 165.4 | 0 | 0 | 0 | 108.9 | | |
| 1222 | A | 33.3 | Very low | 32.4 | Very low | 74 Ų | 74 | 144 Ų | 144 | 61% | 0.612 | 76% | 0.762 | S | S | * | * | | | | -153 | 158.2 | -63.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1223 | L | 28.1 | Very low | 32.5 | Very low | 167 Ų | 167 | 145.1 Ų | 145.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | 56.6 | 91.9 | 157 | -66.8 | 163.8 | 0 | 0 | 0 | 119.5 | | |
| 1224 | Q | 31.5 | Very low | 32.5 | Very low | 178 Ų | 178 | 147.4 Ų | 147.4 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | | -172.9 | 147.5 | 113.3 | -103.7 | 180 | 19.6 | 0 | 0 | 111.3 | | |
| 1225 | N | 33.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 143 Ų | 143 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | | | trans | 54.4 | 114.2 | 168.3 | -58.7 | -19.1 | 0 | 0 | 0 | 117.5 | | |
| 1226 | A | 28.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 141.8 Ų | 141.8 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | | | cis | -161.3 | 165.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1227 | N | 33.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 142 Ų | 142 | 63% | 0.626 | 75% | 0.751 | S | S | * | * | | | trans | -64 | 143.1 | 143.9 | -63.4 | -31.9 | 0 | 0 | 0 | 107.2 | Q1229 | N1227-Q1229 HydrophobicContact CB-CG 3.74Å; N1227-Q1229 VanDerWaalsContact CG-CD 3.46Å; N1227-Q1229 PolarHBondContact ND2-NE2 2.97Å; N1227-Q1229 VanDerWaalsContact OD1-CG 3.25Å; N1227-Q1229 WeakPolarHBondContact OD1-CG 3.2Å; N1227-Q1229 PolarHBondContact OD1-NE2 2.81Å |
| 1228 | L | 28.2 | Very low | 32.8 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | | | cis | -115.6 | 119.6 | 30.7 | -62.9 | 159.1 | 0 | 0 | 0 | 110.5 | | |
| 1229 | Q | 25.7 | Very low | 32.8 | Very low | 112 Ų | 112 | 138 Ų | 138 | 52% | 0.523 | 74% | 0.743 | S | S | . | * | | | | 81.7 | 151.4 | 60.2 | -80.1 | -171.6 | -14.3 | 0 | 0 | 113.7 | N1227 | N1227-Q1229 HydrophobicContact CB-CG 3.74Å; N1227-Q1229 VanDerWaalsContact CG-CD 3.46Å; N1227-Q1229 PolarHBondContact ND2-NE2 2.97Å; N1227-Q1229 VanDerWaalsContact OD1-CG 3.25Å; N1227-Q1229 WeakPolarHBondContact OD1-CG 3.2Å; N1227-Q1229 PolarHBondContact OD1-NE2 2.81Å |
| 1230 | P | 29.8 | Very low | 32.9 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 70% | 0.695 | 74% | 0.741 | S | S | * | * | | | cis | -95.7 | 169.2 | 7.6 | 34.6 | -25.3 | 0 | 0 | 0 | 113.5 | | |
| 1231 | T | 30.3 | Very low | 32.3 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | | 30.1 | 136.9 | 87.4 | 110.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1232 | S | 40.5 | Very low | 32.1 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | cis | -127 | 142.2 | 19.2 | 58.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1233 | K | 31.2 | Very low | 32.4 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 73% | 0.726 | 73% | 0.727 | S | S | * | * | | | | 49.5 | 118.1 | 70.5 | -79 | -179.2 | 179.3 | 173.5 | 0 | 112.9 | | |
| 1234 | K | 33.4 | Very low | 32.4 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 73% | 0.727 | S | S | * | * | | | | 73.4 | 155.4 | 124.2 | -71.8 | -167.5 | 171.5 | -155.7 | 0 | 118.6 | | |
| 1235 | S | 29.6 | Very low | 32.8 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 51% | 0.51 | 73% | 0.727 | S | S | . | * | | | cis | -163.1 | 159.7 | -16.1 | 39 | 0 | 0 | 0 | 0 | 110.4 | E1237 | S1235-E1237 PolarHBondContact O-N 3.18Š|
| 1236 | P | 44.2 | Very low | 32.8 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 84% | 0.844 | 73% | 0.726 | S | S | * | * | | | trans | -75 | 101.9 | 161.7 | 31.5 | -32.2 | 0 | 0 | 0 | 110.6 | | |
| 1237 | E | 29.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 69% | 0.687 | 73% | 0.728 | S | S | * | * | | | trans | -168.3 | 132.9 | 164.9 | -120.8 | 177.1 | 165.8 | 0 | 0 | 110.8 | S1235 | S1235-E1237 PolarHBondContact O-N 3.18Š|
| 1238 | Q | 33.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | trans | 63.1 | 161.1 | 163.2 | -60.2 | 157.4 | 17.6 | 0 | 0 | 114.8 | | |
| 1239 | E | 31.2 | Very low | 33.4 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | cis | -144.6 | 128.7 | 5.9 | -150.6 | 166.7 | -150.5 | 0 | 0 | 109.1 | | |
| 1240 | K | 31.8 | Very low | 33.6 | Very low | 179 Ų | 179 | 144 Ų | 144 | 78% | 0.778 | 74% | 0.742 | S | S | * | * | | | | 16.8 | 142.8 | 116.7 | -74 | -176 | 175 | 179.5 | 0 | 119.9 | | |
| 1241 | N | 33.5 | Very low | 33.6 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | | | trans | 81.3 | 125.2 | 161.8 | -47.1 | -35.6 | 0 | 0 | 0 | 116.1 | | |
| 1242 | I | 32.7 | Very low | 33.5 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | | 73.6 | 132 | 50.5 | -59.6 | 164.7 | 0 | 0 | 0 | 111.5 | | |
| 1243 | P | 41.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | cis | -140.6 | -169.7 | -16.7 | 42.5 | -23.6 | 0 | 0 | 0 | 115.8 | | |
| 1244 | Y | 28.3 | Very low | 33.6 | Very low | 222 Ų | 222 | 148.9 Ų | 148.9 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | | | trans | 60.1 | 166.6 | 154.2 | -97.3 | -88.9 | 0 | 0 | 0 | 120.4 | | |
| 1245 | E | 39.9 | Very low | 33.4 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 73% | 0.729 | S | S | * | * | | | trans | -60.9 | 136.6 | -177.1 | -63.8 | -176.5 | 115.5 | 0 | 0 | 113.2 | | |
| 1246 | P | 33.7 | Very low | 33.7 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | | | | -127.5 | 171.9 | 100.4 | 1.4 | 20.5 | 0 | 0 | 0 | 114.8 | | |
| 1247 | P | 37.8 | Very low | 33 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | trans | -91.9 | -176.9 | -176.5 | 38.3 | -38.1 | 0 | 0 | 0 | 114.5 | | |
| 1248 | K | 29.2 | Very low | 33 | Very low | 187 Ų | 187 | 147.1 Ų | 147.1 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | | | trans | 82.4 | 120 | -168.9 | -57.2 | -177.6 | 177.7 | -179.5 | 0 | 110.8 | | |
| 1249 | I | 33.9 | Very low | 32.9 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | | | cis | 61 | 149.1 | 35.9 | -36.7 | 175.7 | 0 | 0 | 0 | 111.8 | | |
| 1250 | M | 30.7 | Very low | 32.9 | Very low | 141 Ų | 141 | 144 Ų | 144 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | | | trans | 77.5 | 103.3 | 171.7 | -57.1 | -166.6 | 160.8 | 0 | 0 | 113.5 | | |
| 1251 | H | 29.3 | Very low | 32.8 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 67% | 0.667 | 71% | 0.712 | S | S | * | * | | | | 109.7 | 167.2 | 82.6 | -78.9 | -18 | 0 | 0 | 0 | 107.3 | | |
| 1252 | Q | 28.9 | Very low | 32.7 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | | | cis | -138 | 161.8 | 5 | -134.3 | 133.4 | 4.1 | 0 | 0 | 106.4 | | |
| 1253 | E | 36.7 | Very low | 32.6 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | S | Bend | | 177.3 | 147 | 79.4 | -82.4 | -160.6 | 120.7 | 0 | 0 | 106.8 | | |
| 1254 | Q | 37.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 67% | 0.673 | 72% | 0.722 | S | S | * | * | | | cis | -139.5 | 145.8 | -15.9 | -85.1 | 157 | 22.1 | 0 | 0 | 104 | | |
| 1255 | L | 28.4 | Very low | 32.2 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 59% | 0.586 | 73% | 0.725 | S | S | * | * | | | | 51.7 | 142 | 69.2 | -64.6 | 168.6 | 0 | 0 | 0 | 112.8 | K1257 | L1255-K1257 HydrophobicContact CD2-CG 3.92Š|
| 1256 | P | 35.3 | Very low | 31.8 | Very low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 72% | 0.719 | S | S | * | * | | | cis | -95 | 158.7 | 11.1 | 0.8 | 22.9 | 0 | 0 | 0 | 112.9 | | |
| 1257 | K | 29.3 | Very low | 31.7 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | | | | 84.3 | 142.4 | 51 | -67.8 | 170 | 121.7 | -87.6 | 0 | 115 | L1255 | L1255-K1257 HydrophobicContact CD2-CG 3.92Š|
| 1258 | D | 31.2 | Very low | 31.3 | Very low | 122 Ų | 122 | 137.7 Ų | 137.7 | 65% | 0.652 | 72% | 0.723 | S | S | * | * | | | trans | 50.2 | 108.2 | 141.3 | -47.2 | -17.3 | 0 | 0 | 0 | 119.3 | | |
| 1259 | D | 29.9 | Very low | 31.9 | Very low | 101 Ų | 101 | 134 Ų | 134 | 54% | 0.54 | 72% | 0.718 | S | S | . | * | | | | 57.1 | 133.2 | 113.4 | -131.3 | 36.3 | 0 | 0 | 0 | 120.6 | Y15 | Y15-D1259 WeakPolarHBondContact CE2-OD1 3.38Š|
| 1260 | Q | 31.9 | Very low | 31.6 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 78% | 0.776 | 72% | 0.719 | S | S | * | * | | | trans | 71.4 | 147.2 | 163.7 | -60.2 | 169.3 | 49.1 | 0 | 0 | 117.5 | | |
| 1261 | S | 30.3 | Very low | 31.4 | Very low | 91 Ų | 91 | 129.8 Ų | 129.8 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | | | cis | -166.1 | 149.9 | -17.4 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1262 | S | 30.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | 47.6 | 139.4 | 144.7 | 65.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1263 | L | 31.4 | Very low | 32.1 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 85% | 0.848 | 73% | 0.731 | S | S | * | * | | | trans | 72.2 | 88.7 | 145 | -102.7 | 73.9 | 0 | 0 | 0 | 120.4 | | |
| 1264 | S | 33.1 | Very low | 31.8 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | | -172.7 | 111.8 | 121.5 | 49.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1265 | Y | 27.3 | Very low | 31.6 | Very low | 239 Ų | 239 | 127.1 Ų | 127.1 | 94% | 0.937 | 73% | 0.731 | S | S | * | * | | | | 45.6 | 97.7 | 82.1 | -96.1 | -86.6 | 0 | 0 | 0 | 113.7 | | |
| 1266 | G | 32.2 | Very low | 32 | Very low | 69 Ų | 69 | 127.6 Ų | 127.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | | | trans | -179.1 | 52.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1267 | S | 31.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 126.7 Ų | 126.7 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | trans | 17.2 | 130.8 | 154.7 | 54.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 1268 | E | 30.6 | Very low | 31.8 | Very low | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | | | trans | 75.2 | 163.5 | 146.9 | -66.7 | -170.9 | 175 | 0 | 0 | 119.5 | | |
| 1269 | P | 40.5 | Very low | 32.1 | Very low | 111 Ų | 111 | 125.2 Ų | 125.2 | 72% | 0.721 | 73% | 0.725 | S | S | * | * | | | | -140.5 | 168.6 | -56 | 41.1 | -25.7 | 0 | 0 | 0 | 115.4 | | |
| 1270 | S | 28.8 | Very low | 32.1 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 60.9 | 119 | 146.7 | -155.2 | 0 | 0 | 0 | 0 | 122 | | |
| 1271 | A | 26.9 | Very low | 32.5 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | | | trans | 60 | 84.4 | 141.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1272 | K | 36.2 | Very low | 32.6 | Very low | 194 Ų | 194 | 126.8 Ų | 126.8 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | | | | -139.9 | 123.6 | 127 | -102.7 | 167.7 | -176.1 | 175.5 | 0 | 107.9 | | |
| 1273 | A | 36.1 | Very low | 32.7 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 65% | 0.653 | 72% | 0.719 | S | S | * | * | | | | 70.2 | 108 | 84.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1274 | V | 30.8 | Very low | 32.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 70% | 0.697 | 71% | 0.712 | S | S | * | * | | | | 62.6 | 99.4 | 54.7 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1275 | L | 32.6 | Very low | 32.5 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | | | | -170.5 | 170.9 | 111.2 | -91.3 | 178.5 | 0 | 0 | 0 | 107.9 | E1277 | L1275-E1277 HydrophobicContact CD2-CB 3.8Š|
| 1276 | P | 36.8 | Very low | 32.5 | Very low | 121 Ų | 121 | 122.7 Ų | 122.7 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | | | cis | -114.9 | 143.6 | -18.3 | 18.7 | 2.2 | 0 | 0 | 0 | 110.9 | | |
| 1277 | E | 30.9 | Very low | 32.3 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 46% | 0.458 | 70% | 0.699 | S | S | . | * | | | cis | 53.1 | 95.1 | 19.4 | -82.2 | -97.5 | 146.1 | 0 | 0 | 115.4 | L1275 | L1275-E1277 HydrophobicContact CD2-CB 3.8Š|
| 1278 | R | 28.9 | Very low | 32.6 | Very low | 126 Ų | 126 | 126.9 Ų | 126.9 | 48% | 0.475 | 69% | 0.686 | S | S | . | * | | | trans | 57.2 | 125.7 | 133.8 | -56.1 | -175.6 | -169.3 | 130.8 | 9.5 | 121.3 | I1281 Y1283 | R1278-I1281 HydrophobicContact CB-CD1 4.16Å; R1278-I1281 HydrophobicContact CB-CG1 3.99Å; R1278-Y1283 VanDerWaalsContact NE-CE2 3.34Å; R1278-Y1283 PolarHBondContact NH2-OH 2.79Å |
| 1279 | S | 37 | Very low | 32.5 | Very low | 113 Ų | 113 | 122.8 Ų | 122.8 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -152.9 | 124.9 | 131.3 | 59.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1280 | R | 30.9 | Very low | 32.4 | Very low | 235 Ų | 235 | 120 Ų | 120 | 89% | 0.887 | 66% | 0.664 | S | S | * | * | S | Bend | cis | -127.3 | 131 | -5.1 | -84.1 | 177.9 | 172.6 | 171 | -2.9 | 109.1 | | |
| 1281 | I | 39.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 52% | 0.518 | 66% | 0.662 | S | S | . | * | | | | 76.9 | 92.6 | 63.1 | -67.3 | 167.1 | 0 | 0 | 0 | 110.4 | R1278 | R1278-I1281 HydrophobicContact CB-CD1 4.16Å; R1278-I1281 HydrophobicContact CB-CG1 3.99Å |
| 1282 | G | 31.5 | Very low | 33.2 | Very low | 55 Ų | 55 | 127 Ų | 127 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | | | | -77.2 | -149 | 129.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1283 | Y | 32.4 | Very low | 33.2 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 56% | 0.557 | 66% | 0.657 | S | S | * | * | | | trans | 75.9 | 146.9 | -171.2 | -46.5 | -67.8 | 0 | 0 | 0 | 113.6 | R1278 | R1278-Y1283 VanDerWaalsContact NE-CE2 3.34Å; R1278-Y1283 PolarHBondContact NH2-OH 2.79Å |
| 1284 | R | 26.9 | Very low | 33.3 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 71% | 0.709 | 66% | 0.659 | S | S | * | * | | | cis | -173.2 | 174.2 | -24 | -115.5 | 176.3 | -171.7 | 162 | 0.5 | 106.1 | | |
| 1285 | L | 33.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | | | trans | 66.1 | 112.5 | 166.5 | -51.5 | 123.1 | 0 | 0 | 0 | 113.4 | | |
| 1286 | G | 28.2 | Very low | 33.4 | Very low | 56 Ų | 56 | 128.6 Ų | 128.6 | 58% | 0.577 | 67% | 0.667 | S | S | * | * | | | cis | 84.5 | 148.5 | 3.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1287 | K | 26.7 | Very low | 33.2 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | | | trans | 84.8 | 157.5 | -162.3 | -57.4 | 177.4 | 178.2 | -176.8 | 0 | 113.2 | | |
| 1288 | P | 37.6 | Very low | 34 | Very low | 71 Ų | 71 | 134.7 Ų | 134.7 | 46% | 0.461 | 68% | 0.682 | S | S | . | * | | | cis | -131.4 | 130.8 | -1.5 | 24.5 | -1.3 | 0 | 0 | 0 | 116.8 | Q50 | Q50-P1288 PolarHBondContact NE2-O 3.1Š|
| 1289 | S | 29.5 | Very low | 34.8 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | trans | 34.1 | 115.5 | 137.6 | 64.7 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1290 | A | 39 | Very low | 35 | Very low | 52 Ų | 52 | 134.8 Ų | 134.8 | 43% | 0.43 | 69% | 0.694 | S | S | . | * | | | trans | -171.5 | 129.9 | 131.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1291 | F | 34.4 | Very low | 35.3 | Very low | 171 Ų | 171 | 130.9 Ų | 130.9 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | | | cis | -117.7 | 145.9 | 24.6 | -86.1 | -117.5 | 0 | 0 | 0 | 111.2 | | |
| 1292 | K | 36.8 | Very low | 35.3 | Very low | 178 Ų | 178 | 132 Ų | 132 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | | | | 50.1 | 130.3 | 83 | -62.2 | 179.8 | 177.9 | 175.7 | 0 | 113.2 | | |
| 1293 | V | 37 | Very low | 35.5 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 72% | 0.715 | 72% | 0.715 | S | S | * | * | | | cis | -156 | 164.4 | 8.6 | 100 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1294 | D | 37.1 | Very low | 35.4 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | trans | 14.7 | 120.6 | 162.5 | -45.9 | -28 | 0 | 0 | 0 | 118.4 | | |
| 1295 | V | 29.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | | | cis | 54.5 | 73.5 | 45.6 | -164.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1296 | K | 36.4 | Very low | 35.7 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 79% | 0.787 | 75% | 0.748 | S | S | * | * | | | | -173.7 | 117.4 | 125.7 | -106.4 | 171.2 | -176.7 | 179.6 | 0 | 113.3 | | |
| 1297 | E | 34.4 | Very low | 36.4 | Very low | 168 Ų | 168 | 145.6 Ų | 145.6 | 79% | 0.785 | 76% | 0.758 | S | S | * | * | | | trans | 62 | 179 | 150.6 | -94.4 | 165 | -131.1 | 0 | 0 | 115 | | |
| 1298 | K | 45.8 | Very low | 36.7 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | S | Bend | cis | -112.4 | 13.4 | 7.1 | -60.7 | 162 | -171.5 | 177.7 | 0 | 111.7 | | |
| 1299 | E | 47.1 | Very low | 36.5 | Very low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | | | trans | -144.2 | 173.3 | -166.3 | -62.6 | 107.8 | 143.6 | 0 | 0 | 109.8 | | |
| 1300 | G | 40.4 | Very low | 36.6 | Very low | 71 Ų | 71 | 147.1 Ų | 147.1 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | | | trans | 164.7 | 11.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | | |
| 1301 | I | 36.6 | Very low | 36.2 | Very low | 154 Ų | 154 | 151.7 Ų | 151.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | 38.9 | 106 | 150.1 | -56 | 174.7 | 0 | 0 | 0 | 120.1 | | |
| 1302 | T | 40 | Very low | 35.9 | Very low | 123 Ų | 123 | 151.7 Ų | 151.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | 37.5 | 142.7 | 141.9 | 73 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1303 | P | 36.9 | Very low | 35.6 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 87% | 0.87 | 79% | 0.794 | S | S | * | * | | | | -139.7 | -176.6 | 96.2 | 39.3 | -27.1 | 0 | 0 | 0 | 114.9 | | |
| 1304 | R | 31 | Very low | 35.3 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | -155.4 | 136.7 | -167.4 | -174.3 | -174.4 | -171.2 | -172.5 | 5.4 | 114.6 | | |
| 1305 | S | 30 | Very low | 35.1 | Very low | 117 Ų | 117 | 150.5 Ų | 150.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -151.9 | 177.9 | 162 | 66.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1306 | R | 35.5 | Very low | 35.2 | Very low | 248 Ų | 248 | 151.3 Ų | 151.3 | 94% | 0.936 | 80% | 0.796 | S | S | * | * | | | trans | -93.1 | 150.6 | -161.4 | -56.1 | 170.7 | 178.2 | 162.5 | -3.8 | 114.4 | | |
| 1307 | P | 43.6 | Very low | 35.4 | Very low | 121 Ų | 121 | 147.7 Ų | 147.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | | | trans | -143.5 | 154.8 | 149 | 39.7 | -25.6 | 0 | 0 | 0 | 116.5 | | |
| 1308 | V | 32.8 | Very low | 35.3 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | -158.6 | 132.5 | 161.2 | 177.1 | 0 | 0 | 0 | 0 | 104.9 | | |
| 1309 | Q | 32.5 | Very low | 34.8 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | cis | -138.7 | -166.1 | -6.9 | -143.5 | -177.8 | 93.7 | 0 | 0 | 105.7 | | |
| 1310 | A | 31.3 | Very low | 33.9 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 65% | 0.645 | 79% | 0.788 | S | S | * | * | | | cis | -156.5 | -175.8 | -2.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1311 | L | 31.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | cis | -135.1 | -115.8 | -5.2 | -149.5 | 175.7 | 0 | 0 | 0 | 108.7 | | |
| 1312 | Q | 28.5 | Very low | 33.3 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | | | trans | -153.3 | 165 | -172.2 | -71.9 | -173.9 | -55.7 | 0 | 0 | 116.1 | | |
| 1313 | S | 30.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | 90.5 | 140.4 | 158 | 75.8 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1314 | S | 29.8 | Very low | 32.8 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | | | cis | -174 | 163.6 | -42.2 | 38.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1315 | F | 32.7 | Very low | 32.8 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.842 | 77% | 0.769 | S | S | * | * | | | trans | 94.8 | 100.9 | 180 | -61.8 | -71.9 | 0 | 0 | 0 | 114.9 | | |
| 1316 | I | 32.2 | Very low | 32.8 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | cis | 73.9 | 133.1 | 43.3 | -54.7 | 174.7 | 0 | 0 | 0 | 112.2 | | |
| 1317 | P | 39.7 | Very low | 32.3 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | | | cis | -131.5 | -166.7 | 7.4 | 28 | -3 | 0 | 0 | 0 | 116.3 | | |
| 1318 | V | 33.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 78% | 0.782 | 75% | 0.752 | S | S | * | * | | | trans | 74.4 | 122.3 | 163.1 | -172.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1319 | T | 34.5 | Very low | 31.3 | Very low | 138 Ų | 138 | 128 Ų | 128 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | cis | -155.1 | 150.5 | -8.9 | 20.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1320 | G | 29.1 | Very low | 31.2 | Very low | 63 Ų | 63 | 125.7 Ų | 125.7 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | cis | 177.9 | 170.8 | -2.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1321 | V | 31 | Very low | 31.2 | Very low | 157 Ų | 157 | 131.3 Ų | 131.3 | 95% | 0.952 | 76% | 0.76 | S | S | * | * | | | trans | 66.5 | 120.9 | -176.9 | -167.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1322 | G | 32.3 | Very low | 31.2 | Very low | 55 Ų | 55 | 130.7 Ų | 130.7 | 57% | 0.567 | 76% | 0.762 | S | S | * | * | | | cis | -158.6 | 142.1 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1323 | I | 33 | Very low | 31.6 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | | | | 70.9 | 117.1 | 95.1 | -61.5 | 159.3 | 0 | 0 | 0 | 111.5 | | |
| 1324 | A | 33.3 | Very low | 31.7 | Very low | 74 Ų | 74 | 132.2 Ų | 132.2 | 61% | 0.612 | 75% | 0.754 | S | S | * | * | | | cis | -151.4 | 147 | 9.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1325 | N | 31.1 | Very low | 31.8 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | | | | 68.2 | 145.4 | 88 | -59.2 | -1.7 | 0 | 0 | 0 | 115.3 | | |
| 1326 | Y | 29.6 | Very low | 31.7 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | cis | -155 | 135 | -19.5 | -92.2 | -56.8 | 0 | 0 | 0 | 104.7 | | |
| 1327 | V | 25.2 | Very low | 31.5 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | | 61.5 | 104 | 75.2 | -173.6 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1328 | S | 25.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | | | trans | 83.4 | 152.7 | 143.5 | 80.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1329 | T | 30.1 | Very low | 31.4 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | trans | 68.8 | 126.8 | 162.3 | 67.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1330 | P | 31.1 | Very low | 31.6 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 75% | 0.745 | S | S | * | * | | | trans | -116.5 | 86.8 | 160.9 | 36.4 | -24.2 | 0 | 0 | 0 | 111.8 | | |
| 1331 | K | 30.1 | Very low | 31.5 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -151.5 | 98 | 165.8 | -78.5 | -166 | 178.6 | 179.6 | 0 | 111.8 | | |
| 1332 | T | 31.9 | Very low | 31.7 | Very low | 135 Ų | 135 | 135.7 Ų | 135.7 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | | | | 175.8 | 158.3 | 118.6 | 34.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1333 | E | 37.1 | Very low | 31.6 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 67% | 0.673 | 73% | 0.733 | S | S | * | * | | | trans | 71.3 | 106.1 | 169 | -46.5 | -130.1 | 99.4 | 0 | 0 | 114 | | |
| 1334 | K | 33.8 | Very low | 31.6 | Very low | 176 Ų | 176 | 135 Ų | 135 | 77% | 0.765 | 72% | 0.715 | S | S | * | * | | | | 66.1 | 137.4 | 83.3 | -69.7 | 172.6 | -166.9 | 154.8 | 0 | 112.8 | | |
| 1335 | S | 30.1 | Very low | 31.8 | Very low | 100 Ų | 100 | 137 Ų | 137 | 70% | 0.699 | 72% | 0.719 | S | S | * | * | | | cis | -175.1 | 171.9 | -13.1 | 47 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1336 | V | 32.1 | Very low | 31.9 | Very low | 135 Ų | 135 | 132.4 Ų | 132.4 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | | | trans | 73.5 | 116.2 | 166.4 | -173.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1337 | N | 27.1 | Very low | 31.9 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | | | trans | -55.2 | 116.9 | 160.7 | 158.9 | 50.7 | 0 | 0 | 0 | 112.9 | | |
| 1338 | E | 36.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 130.2 Ų | 130.2 | 65% | 0.654 | 68% | 0.681 | S | S | * | * | | | trans | -159.6 | 140.3 | 143.8 | -115.1 | -168.6 | 158.5 | 0 | 0 | 115.9 | | |
| 1339 | K | 35.2 | Very low | 32.6 | Very low | 151 Ų | 151 | 132.5 Ų | 132.5 | 66% | 0.657 | 68% | 0.679 | S | S | * | * | | | trans | 41.3 | 118.5 | 140.8 | -74.2 | 171.5 | -172.4 | 156.9 | 0 | 122.8 | | |
| 1340 | T | 37.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 132.3 Ų | 132.3 | 76% | 0.761 | 68% | 0.683 | S | S | * | * | | | | 64.6 | 140 | 129.5 | 58.9 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1341 | N | 28.2 | Very low | 33.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | | | trans | -59.5 | 148.8 | 155.4 | 9.1 | -118.7 | 0 | 0 | 0 | 110.7 | | |
| 1342 | E | 35.7 | Very low | 33.6 | Very low | 169 Ų | 169 | 130.8 Ų | 130.8 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | | | trans | -143.9 | 169.7 | 136.3 | -141.1 | 150.7 | -120.1 | 0 | 0 | 113.3 | I1344 | E1342-I1344 HydrophobicContact CG-CD1 4.42Š|
| 1343 | R | 29.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 43% | 0.43 | 67% | 0.672 | S | S | . | * | | | trans | -76.7 | -166.3 | 178.1 | -53.1 | 170.4 | 114.1 | 166.3 | -8.6 | 108.1 | A1366 N1367 E1368 | R1343-A1366 WeakPolarHBondContact CB-O 3.12Å; R1343-A1366 VanDerWaalsContact CD-O 3.24Å; R1343-A1366 WeakPolarHBondContact CD-O 3.32Å; R1343-A1366 WeakPolarHBondContact CG-O 3.31Å; R1343-A1366 PolarHBondContact NE-O 2.85Å; R1343-N1367 VanDerWaalsContact NE-C 3.29Å; R1343-E1368 IonicContact CZ-OE1 3.16Å; R1343-E1368 IonicContact NH1-OE1 3.12Å; R1343-E1368 IonicContact NH2-OE1 2.67Å; R1343-E1368 PolarHBondContact NH2-OE1 3.26Å |
| 1344 | I | 33.6 | Very low | 33.3 | Very low | 96 Ų | 96 | 135.7 Ų | 135.7 | 49% | 0.492 | 67% | 0.671 | S | S | . | * | | | | 165.3 | 135.7 | 81 | -75 | 179.2 | 0 | 0 | 0 | 106.1 | E1342 V1364 L1365 | E1342-I1344 HydrophobicContact CG-CD1 4.42Å; I1344-V1364 HydrophobicContact CG2-CB 4.13Å; I1344-V1364 HydrophobicContact CG2-CG1 3.31Å; I1344-L1365 WeakPolarHBondContact CA-O 3.05Å; I1344-L1365 WeakPolarHBondContact CG1-O 3.18Å |
| 1345 | V | 35.6 | Very low | 33.4 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 70% | 0.703 | 67% | 0.668 | S | S | * | * | | | trans | 170.4 | 149.3 | 141.9 | 160.8 | 0 | 0 | 0 | 0 | 113.2 | V1364 L1365 | V1345-V1364 HydrophobicContact CB-CG1 4.17Å; V1345-V1364 HydrophobicContact CG2-CG1 3.86Å; V1345-L1365 WeakPolarHBondContact O-CB 3.21Å |
| 1346 | L | 33.1 | Very low | 33.4 | Very low | 33 Ų | 33 | 134.4 Ų | 134.4 | 17% | 0.173 | 67% | 0.671 | C | S | . | * | | | trans | -138.5 | 130 | -144.1 | -178.9 | 122 | 0 | 0 | 0 | 119.7 | V1362 P1363 V1364 L1365 | L1346-V1362 HydrophobicContact CD2-CG1 4.14Å; L1346-P1363 WeakPolarHBondContact CD2-O 3.47Å; L1346-V1364 HydrophobicContact CB-CB 3.84Å; L1346-V1364 HydrophobicContact CB-CG1 3.59Å; L1346-V1364 HydrophobicContact CB-CG2 3.92Å; L1346-V1364 VanDerWaalsContact CD1-CA 3.43Å; L1346-V1364 HydrophobicContact CD2-CG2 4.35Å; L1346-L1365 HydrophobicContact CB-CB 3.79Å; L1346-L1365 HydrophobicContact CB-CG 4.31Å; L1346-L1365 HydrophobicContact CD1-CB 3.87Å; L1346-L1365 HydrophobicContact CD1-CD2 4.35Å; L1346-L1365 HydrophobicContact CD1-CG 3.78Å; L1346-L1365 HydrophobicContact CG-CB 4.23Å; L1346-L1365 HydrophobicContact CG-CG 4.27Å |
| 1347 | K | 31.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 69% | 0.687 | 66% | 0.662 | S | S | * | * | | | trans | 49.2 | 170 | 147.4 | -69.8 | 176.8 | -158.3 | 148.2 | 0 | 121.1 | | |
| 1348 | Q | 31.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | | | trans | 95.1 | 144.6 | 149.1 | -53.1 | -152.4 | 38.8 | 0 | 0 | 116.7 | | |
| 1349 | K | 32.5 | Very low | 34.1 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | | | cis | -174.6 | 153 | -15.7 | -111.1 | -169.4 | -176 | -174.2 | 0 | 110.4 | H1351 | K1349-H1351 WeakPolarHBondContact CD-NE2 3.29Å; K1349-H1351 PolarHBondContact NZ-NE2 3.43Å; K1349-H1351 VanDerWaalsContact NZ-NE2 3.18Å |
| 1350 | S | 41.9 | Very low | 34.5 | Very low | 121 Ų | 121 | 130 Ų | 130 | 85% | 0.846 | 66% | 0.664 | S | S | * | * | | | trans | 179.4 | 167.2 | 141.4 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1351 | H | 31 | Very low | 34.5 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 68% | 0.676 | 67% | 0.668 | S | S | * | * | | | | -158.1 | -173.9 | -87 | -117.1 | -37 | 0 | 0 | 0 | 112.9 | K1349 | K1349-H1351 WeakPolarHBondContact CD-NE2 3.29Å; K1349-H1351 PolarHBondContact NZ-NE2 3.43Å; K1349-H1351 VanDerWaalsContact NZ-NE2 3.18Å |
| 1352 | Q | 39.9 | Very low | 34.7 | Very low | 149 Ų | 149 | 131.8 Ų | 131.8 | 70% | 0.696 | 66% | 0.664 | S | S | * | * | | | trans | 72 | 143.9 | -178.6 | -61.9 | -177.2 | -57.4 | 0 | 0 | 117 | E1354 | Q1352-E1354 PolarHBondContact NE2-OE1 2.72Š|
| 1353 | W | 32 | Very low | 35 | Very low | 246 Ų | 246 | 128.7 Ų | 128.7 | 93% | 0.932 | 66% | 0.658 | S | S | * | * | S | Bend | cis | -76.3 | 135.7 | -7.1 | -61.1 | 54.6 | 0 | 0 | 0 | 109.1 | | |
| 1354 | E | 31.3 | Very low | 35.2 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | | | | 59.9 | 118.9 | 70 | -69.1 | -179.1 | -157.2 | 0 | 0 | 113.3 | Q1352 | Q1352-E1354 PolarHBondContact NE2-OE1 2.72Š|
| 1355 | S | 34.2 | Very low | 35.4 | Very low | 101 Ų | 101 | 126 Ų | 126 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | | | cis | -154.3 | -175 | -0.6 | 54.1 | 0 | 0 | 0 | 0 | 109 | | |
| 1356 | L | 30.9 | Very low | 35.6 | Very low | 147 Ų | 147 | 122 Ų | 122 | 77% | 0.77 | 63% | 0.634 | S | S | * | * | | | cis | -144.2 | -171.8 | 23.7 | -83.1 | 104.9 | 0 | 0 | 0 | 112.3 | | |
| 1357 | T | 33 | Very low | 36 | Very low | 101 Ų | 101 | 127 Ų | 127 | 62% | 0.62 | 66% | 0.661 | S | S | * | * | | | trans | 4.9 | 139.5 | 151.3 | 60 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1358 | H | 34.6 | Very low | 36.6 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.806 | 66% | 0.662 | S | S | * | * | | | cis | -155.7 | 161 | -5.6 | -104.6 | -51.2 | 0 | 0 | 0 | 111.3 | | |
| 1359 | P | 42.5 | Very low | 37 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | | | trans | -104 | -160.5 | -178.5 | 43.7 | -36.1 | 0 | 0 | 0 | 111.9 | | |
| 1360 | P | 43.4 | Very low | 37.3 | Very low | 102 Ų | 102 | 128.6 Ų | 128.6 | 66% | 0.662 | 68% | 0.678 | S | S | * | * | | | cis | -112.2 | -178.9 | -18.2 | 12.7 | 13.5 | 0 | 0 | 0 | 111.6 | | |
| 1361 | F | 37.7 | Very low | 37.1 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 84% | 0.842 | 67% | 0.674 | S | S | * | * | | | cis | -133.3 | 164.2 | 31.3 | -76.7 | -101.3 | 0 | 0 | 0 | 113 | | |
| 1362 | V | 32.7 | Very low | 37.2 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 62% | 0.624 | 68% | 0.682 | S | S | * | * | | | trans | -117.9 | 106 | -175.8 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | L1346 | L1346-V1362 HydrophobicContact CD2-CG1 4.14Š|
| 1363 | P | 41.2 | Very low | 36.8 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 67% | 0.669 | 68% | 0.682 | S | S | * | * | | | trans | -99.5 | -159.6 | 141 | -21.8 | 38.3 | 0 | 0 | 0 | 116.4 | L1346 | L1346-P1363 WeakPolarHBondContact CD2-O 3.47Š|
| 1364 | V | 35.4 | Very low | 36.9 | Very low | 74 Ų | 74 | 117.6 Ų | 117.6 | 45% | 0.448 | 67% | 0.67 | S | S | . | * | | | | -139.6 | -170.6 | -118.2 | 169.2 | 0 | 0 | 0 | 0 | 114 | I1344 V1345 L1346 | I1344-V1364 HydrophobicContact CG2-CB 4.13Å; I1344-V1364 HydrophobicContact CG2-CG1 3.31Å; V1345-V1364 HydrophobicContact CB-CG1 4.17Å; V1345-V1364 HydrophobicContact CG2-CG1 3.86Å; L1346-V1364 HydrophobicContact CB-CB 3.84Å; L1346-V1364 HydrophobicContact CB-CG1 3.59Å; L1346-V1364 HydrophobicContact CB-CG2 3.92Å; L1346-V1364 VanDerWaalsContact CD1-CA 3.43Å; L1346-V1364 HydrophobicContact CD2-CG2 4.35Å |
| 1365 | L | 37.9 | Very low | 36.9 | Very low | 81 Ų | 81 | 118.4 Ų | 118.4 | 42% | 0.424 | 68% | 0.677 | S | S | . | * | | | trans | -113.5 | -155.3 | -158.3 | -120.9 | -147.8 | 0 | 0 | 0 | 115.2 | I1344 V1345 L1346 | I1344-L1365 WeakPolarHBondContact CA-O 3.05Å; I1344-L1365 WeakPolarHBondContact CG1-O 3.18Å; V1345-L1365 WeakPolarHBondContact O-CB 3.21Å; L1346-L1365 HydrophobicContact CB-CB 3.79Å; L1346-L1365 HydrophobicContact CB-CG 4.31Å; L1346-L1365 HydrophobicContact CD1-CB 3.87Å; L1346-L1365 HydrophobicContact CD1-CD2 4.35Å; L1346-L1365 HydrophobicContact CD1-CG 3.78Å; L1346-L1365 HydrophobicContact CG-CB 4.23Å; L1346-L1365 HydrophobicContact CG-CG 4.27Å |
| 1366 | A | 39.7 | Very low | 36.6 | Very low | 30 Ų | 30 | 121.2 Ų | 121.2 | 25% | 0.248 | 68% | 0.683 | C | S | . | * | | | cis | -158.6 | 141 | 2.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1343 | R1343-A1366 WeakPolarHBondContact CB-O 3.12Å; R1343-A1366 VanDerWaalsContact CD-O 3.24Å; R1343-A1366 WeakPolarHBondContact CD-O 3.32Å; R1343-A1366 WeakPolarHBondContact CG-O 3.31Å; R1343-A1366 PolarHBondContact NE-O 2.85Å |
| 1367 | N | 40.9 | Very low | 36.9 | Very low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | | | trans | 32.1 | 106 | 170.6 | -57.2 | 3.9 | 0 | 0 | 0 | 120 | R1343 | R1343-N1367 VanDerWaalsContact NE-C 3.29Š|
| 1368 | E | 43.8 | Very low | 36.6 | Very low | 151 Ų | 151 | 119.3 Ų | 119.3 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | | | | 63 | 130.1 | 65.7 | -88.3 | 151.5 | -112.4 | 0 | 0 | 116.6 | R1343 | R1343-E1368 IonicContact CZ-OE1 3.16Å; R1343-E1368 IonicContact NH1-OE1 3.12Å; R1343-E1368 IonicContact NH2-OE1 2.67Å; R1343-E1368 PolarHBondContact NH2-OE1 3.26Å |
| 1369 | V | 39.8 | Very low | 36.4 | Very low | 117 Ų | 117 | 114.1 Ų | 114.1 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | | | cis | -161.6 | 144.1 | -14.3 | 100.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1370 | K | 39.5 | Very low | 35.6 | Very low | 181 Ų | 181 | 114.6 Ų | 114.6 | 79% | 0.787 | 70% | 0.697 | S | S | * | * | | | trans | 18.9 | 150.2 | 150.5 | -63 | 172.2 | -175.1 | -179.7 | 0 | 122.3 | | |
| 1371 | A | 37 | Very low | 35.3 | Very low | 92 Ų | 92 | 116.1 Ų | 116.1 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | | | cis | -170.9 | 157.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1372 | N | 34.1 | Very low | 35 | Very low | 157 Ų | 157 | 110.2 Ų | 110.2 | 84% | 0.84 | 70% | 0.699 | S | S | * | * | | | trans | -86.2 | 178.2 | 172.5 | -73.7 | -14.3 | 0 | 0 | 0 | 112.1 | | |
| 1373 | S | 31.4 | Very low | 34.9 | Very low | 99 Ų | 99 | 111.6 Ų | 111.6 | 69% | 0.692 | 71% | 0.708 | S | S | * | * | | | cis | 179 | 164.5 | -27.1 | 60.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1374 | A | 33.5 | Very low | 34.1 | Very low | 83 Ų | 83 | 113.3 Ų | 113.3 | 69% | 0.686 | 70% | 0.704 | S | S | * | * | | | trans | 54.1 | 114.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1375 | I | 32.1 | Very low | 34.2 | Very low | 154 Ų | 154 | 117.9 Ų | 117.9 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | | | | 84.7 | 100.1 | 72.4 | -67.7 | 161.2 | 0 | 0 | 0 | 114.8 | | |
| 1376 | L | 28.3 | Very low | 33.7 | Very low | 159 Ų | 159 | 115.2 Ų | 115.2 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | | | trans | 53.3 | 161.2 | 141.3 | -55.6 | 176.8 | 0 | 0 | 0 | 122 | | |
| 1377 | P | 36 | Very low | 33.4 | Very low | 123 Ų | 123 | 119.4 Ų | 119.4 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | | | | -138.4 | 168.1 | -53 | 40.3 | -24.6 | 0 | 0 | 0 | 115.1 | | |
| 1378 | G | 27.5 | Very low | 32.9 | Very low | 86 Ų | 86 | 116.9 Ų | 116.9 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | | | trans | 119.6 | 145 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1379 | G | 29.4 | Very low | 32.3 | Very low | 64 Ų | 64 | 118.1 Ų | 118.1 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | | | cis | -139.9 | 156.9 | -7.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1380 | S | 26 | Very low | 32.2 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | | 52.3 | 135.3 | 86.2 | 71.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1381 | P | 37.9 | Very low | 32 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | | | cis | -130.8 | -166.8 | 3.7 | 43.4 | -27.2 | 0 | 0 | 0 | 113.8 | | |
| 1382 | G | 30.3 | Very low | 31.7 | Very low | 67 Ų | 67 | 119.2 Ų | 119.2 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | | | trans | 118.1 | 81.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1383 | V | 30.5 | Very low | 31.6 | Very low | 132 Ų | 132 | 115.5 Ų | 115.5 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | | | trans | 41.5 | 95.9 | 139.7 | -167.1 | 0 | 0 | 0 | 0 | 119.5 | L1385 | V1383-L1385 PolarHBondContact O-N 3.45Š|
| 1384 | K | 25.5 | Very low | 31.6 | Very low | 139 Ų | 139 | 116.3 Ų | 116.3 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | | | | 24.1 | 85.3 | 121.8 | -57.8 | 173.4 | -178.2 | 172 | 0 | 117.4 | | |
| 1385 | L | 36.4 | Very low | 31.4 | Very low | 171 Ų | 171 | 116.4 Ų | 116.4 | 90% | 0.895 | 70% | 0.704 | S | S | * | * | | | trans | -124.5 | 143.5 | 133.7 | -105.4 | 179.5 | 0 | 0 | 0 | 110.3 | V1383 | V1383-L1385 PolarHBondContact O-N 3.45Š|
| 1386 | A | 28.3 | Very low | 31.3 | Very low | 24 Ų | 24 | 117.1 Ų | 117.1 | 20% | 0.198 | 70% | 0.702 | C | S | . | * | | | trans | -157.3 | 108.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 106.5 | F1394 V1395 | A1386-F1394 HydrophobicContact CB-CB 3.87Å; A1386-F1394 HydrophobicContact CB-CD1 3.46Å; A1386-F1394 VanDerWaalsContact CB-CD1 3.46Å; A1386-F1394 HydrophobicContact CB-CE1 4.21Å; A1386-F1394 HydrophobicContact CB-CG 4.05Å; A1386-V1395 HydrophobicContact CB-CG2 4.14Å; A1386-V1395 WeakPolarHBondContact O-CG2 3.02Å |
| 1387 | M | 32.9 | Very low | 31.8 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 59% | 0.586 | 69% | 0.688 | S | S | * | * | | | trans | -168.2 | 143.4 | 164.6 | -109 | -60.3 | 169.3 | 0 | 0 | 111.6 | F1394 V1395 | M1387-F1394 VanDerWaalsContact C-CE2 3.43Å; M1387-F1394 WeakPolarHBondContact O-CD2 3.34Å; M1387-F1394 WeakPolarHBondContact O-CE2 3.03Å; M1387-V1395 HydrophobicContact CE-CG2 4.01Å; M1387-V1395 HydrophobicContact CG-CG2 4.16Å |
| 1388 | T | 30.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 53% | 0.528 | 69% | 0.686 | S | S | . | * | | | trans | 8.6 | 114.1 | 170 | 50.7 | 0 | 0 | 0 | 0 | 120.7 | F1394 | T1388-F1394 VanDerWaalsContact N-CD2 3.3Š|
| 1389 | Q | 32.2 | Very low | 31.6 | Very low | 177 Ų | 177 | 119.3 Ų | 119.3 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | S | Bend | | -165.2 | 133.4 | 116.2 | -103.9 | 177.2 | 26.7 | 0 | 0 | 110 | | |
| 1390 | K | 37.9 | Very low | 31.9 | Very low | 212 Ų | 212 | 122.6 Ų | 122.6 | 92% | 0.922 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 36 | 89.5 | 172.1 | -64.8 | -179.8 | -179.6 | 177.2 | 0 | 115.9 | | |
| 1391 | S | 34.9 | Very low | 32.2 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | S | Bend | cis | -129.5 | 107 | 14.8 | 51.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1392 | A | 31 | Very low | 31.9 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | | | trans | 57.4 | 109.9 | 165.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1393 | S | 31.4 | Very low | 32.3 | Very low | 79 Ų | 79 | 119.3 Ų | 119.3 | 55% | 0.552 | 64% | 0.642 | S | S | * | * | | | trans | 46.8 | 69.4 | 142.6 | 58 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1394 | F | 30.9 | Very low | 32.6 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 51% | 0.509 | 65% | 0.647 | S | S | . | * | | | | 2.8 | 134.5 | 108 | -70.8 | -81.6 | 0 | 0 | 0 | 117.7 | A1386 M1387 T1388 | A1386-F1394 HydrophobicContact CB-CB 3.87Å; A1386-F1394 HydrophobicContact CB-CD1 3.46Å; A1386-F1394 VanDerWaalsContact CB-CD1 3.46Å; A1386-F1394 HydrophobicContact CB-CE1 4.21Å; A1386-F1394 HydrophobicContact CB-CG 4.05Å; M1387-F1394 VanDerWaalsContact C-CE2 3.43Å; M1387-F1394 WeakPolarHBondContact O-CD2 3.34Å; M1387-F1394 WeakPolarHBondContact O-CE2 3.03Å; T1388-F1394 VanDerWaalsContact N-CD2 3.3Å |
| 1395 | V | 29.1 | Very low | 33.2 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 52% | 0.521 | 66% | 0.661 | S | S | . | * | | | | 161.4 | 119.2 | 128.6 | 159 | 0 | 0 | 0 | 0 | 114 | A1386 M1387 | A1386-V1395 HydrophobicContact CB-CG2 4.14Å; A1386-V1395 WeakPolarHBondContact O-CG2 3.02Å; M1387-V1395 HydrophobicContact CE-CG2 4.01Å; M1387-V1395 HydrophobicContact CG-CG2 4.16Å |
| 1396 | K | 31.5 | Very low | 33.2 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | | | trans | 56.4 | 165.8 | 155 | -74.9 | 179.6 | 179.1 | 174.6 | 0 | 120.9 | | |
| 1397 | P | 38.5 | Very low | 33.6 | Very low | 83 Ų | 83 | 127.6 Ų | 127.6 | 54% | 0.539 | 68% | 0.68 | S | S | . | * | | | trans | -128 | 165.4 | -163.8 | 42.4 | -28.4 | 0 | 0 | 0 | 116 | | |
| 1398 | Q | 29.6 | Very low | 33.6 | Very low | 166 Ų | 166 | 131.2 Ų | 131.2 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | | | | 167.1 | 150.5 | 127.3 | -100.1 | -177.9 | -42.1 | 0 | 0 | 114.2 | | |
| 1399 | F | 30 | Very low | 34.1 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | | | trans | 49.8 | 139.7 | 151.7 | -78.9 | -76.1 | 0 | 0 | 0 | 124.6 | | |
| 1400 | E | 35 | Very low | 34.5 | Very low | 132 Ų | 132 | 139.2 Ų | 139.2 | 62% | 0.617 | 71% | 0.714 | S | S | * | * | | | trans | 77.4 | 118.4 | 141 | -84.4 | 170.8 | 154.6 | 0 | 0 | 125.1 | | |
| 1401 | Q | 32.8 | Very low | 34.2 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 52% | 0.523 | 71% | 0.707 | S | S | . | * | | | | 75 | 103.6 | 129.7 | -77.5 | 177.6 | 12.8 | 0 | 0 | 122.3 | V1422 | Q1401-V1422 PolarHBondContact O-N 3.06Š|
| 1402 | A | 31.6 | Very low | 34.1 | Very low | 59 Ų | 59 | 133.5 Ų | 133.5 | 49% | 0.488 | 71% | 0.707 | S | S | . | * | | | | 87.6 | 163.6 | 109.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | K1421 V1422 T1423 | A1402-K1421 CarbonylContact O-C 3.47Å; A1402-V1422 PolarHBondContact O-N 2.8Å; A1402-T1423 HydrophobicContact CB-CG2 4.2Å |
| 1403 | A | 37.8 | Very low | 34.1 | Very low | 78 Ų | 78 | 136.5 Ų | 136.5 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | | | trans | 81.5 | 149.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1404 | E | 37.2 | Very low | 34.1 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | | | trans | -112.4 | -175.6 | -169.7 | -66 | 174.8 | 102.4 | 0 | 0 | 111.3 | | |
| 1405 | E | 37.7 | Very low | 34.1 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | | | trans | 81.1 | 127.7 | -172.6 | -55.1 | -171 | 170.6 | 0 | 0 | 115.8 | | |
| 1406 | S | 36 | Very low | 34.3 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | cis | -154.6 | 172.8 | -17.3 | 62.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1407 | I | 36.8 | Very low | 34.4 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | | | trans | 63.5 | 92.2 | 170.3 | -49 | 174.5 | 0 | 0 | 0 | 116.4 | | |
| 1408 | Q | 33.5 | Very low | 34.3 | Very low | 195 Ų | 195 | 141 Ų | 141 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | | | trans | -93.1 | 91.6 | 161.6 | -72.2 | -169.3 | 12.8 | 0 | 0 | 112.4 | | |
| 1409 | R | 41.4 | Very low | 34.3 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 85% | 0.849 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -174.6 | 121.1 | 141.7 | -108.2 | 170.2 | -170.6 | -160.4 | 4.4 | 113.3 | | |
| 1410 | K | 40.2 | Very low | 34.6 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 76% | 0.757 | S | S | * | * | | | trans | 44.9 | 74.9 | 151 | -63 | -172.4 | 174.9 | -173.8 | 0 | 117.6 | | |
| 1411 | G | 32.2 | Very low | 34.4 | Very low | 74 Ų | 74 | 134.1 Ų | 134.1 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | | -82.2 | 138.5 | 123.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1412 | T | 32.3 | Very low | 34.4 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 83% | 0.834 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 143.5 | 149.9 | 39 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1413 | E | 30.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 133 Ų | 133 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 143.7 | 166.9 | -94.8 | -162.4 | -158.2 | 0 | 0 | 110.5 | T1415 | E1413-T1415 VanDerWaalsContact OE2-CB 3.28Å; E1413-T1415 WeakPolarHBondContact OE2-CB 3.23Å; E1413-T1415 VanDerWaalsContact OE2-CG2 3.29Å; E1413-T1415 WeakPolarHBondContact OE2-CG2 3.35Å; E1413-T1415 PolarHBondContact OE2-N 3.3Å; E1413-T1415 VanDerWaalsContact OE2-N 3.16Å; E1413-T1415 PolarHBondContact OE2-OG1 3.01Å |
| 1414 | P | 31.2 | Very low | 34 | Very low | 127 Ų | 127 | 135 Ų | 135 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | | -97.9 | 140.6 | 74.8 | 29.2 | -36.2 | 0 | 0 | 0 | 115.7 | | |
| 1415 | T | 31.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 132 Ų | 132 | 58% | 0.577 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 160.9 | 160.1 | -1.6 | 0 | 0 | 0 | 0 | 111.7 | E1413 | E1413-T1415 VanDerWaalsContact OE2-CB 3.28Å; E1413-T1415 WeakPolarHBondContact OE2-CB 3.23Å; E1413-T1415 VanDerWaalsContact OE2-CG2 3.29Å; E1413-T1415 WeakPolarHBondContact OE2-CG2 3.35Å; E1413-T1415 PolarHBondContact OE2-N 3.3Å; E1413-T1415 VanDerWaalsContact OE2-N 3.16Å; E1413-T1415 PolarHBondContact OE2-OG1 3.01Å |
| 1416 | P | 34.5 | Very low | 33.5 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | | | cis | -143.1 | -174.6 | 12.1 | 37.9 | -15.9 | 0 | 0 | 0 | 117.7 | | |
| 1417 | K | 33.4 | Very low | 33.1 | Very low | 192 Ų | 192 | 129.7 Ų | 129.7 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | | | trans | 91.8 | 95.4 | 158.5 | -62.2 | 179.1 | 179.9 | -178.3 | 0 | 120.2 | | |
| 1418 | A | 35.7 | Very low | 33 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 88% | 0.884 | 75% | 0.753 | S | S | * | * | | | | 45.8 | 122.2 | 112.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1419 | G | 29.6 | Very low | 32.7 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | | | | 133.7 | 140.5 | 107.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1420 | A | 35.8 | Very low | 32 | Very low | 101 Ų | 101 | 125.5 Ų | 125.5 | 84% | 0.835 | 74% | 0.738 | S | S | * | * | | | trans | 68.1 | 160 | 157.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1421 | K | 31.5 | Very low | 31.4 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 64% | 0.639 | 73% | 0.733 | S | S | * | * | | | cis | -179.2 | 153.1 | -45 | -117.3 | -166.9 | 170.4 | -166.9 | 0 | 110.5 | A1402 | A1402-K1421 CarbonylContact O-C 3.47Š|
| 1422 | V | 32.8 | Very low | 31.6 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 44% | 0.436 | 73% | 0.729 | S | S | . | * | | | trans | 60.5 | 93 | 140.9 | 177.4 | 0 | 0 | 0 | 0 | 119.5 | Q1401 A1402 | Q1401-V1422 PolarHBondContact O-N 3.06Å; A1402-V1422 PolarHBondContact O-N 2.8Å |
| 1423 | T | 29 | Very low | 31.4 | Very low | 75 Ų | 75 | 124.1 Ų | 124.1 | 46% | 0.46 | 72% | 0.722 | S | S | . | * | | | | 49.7 | 150.1 | 127.4 | 65.6 | 0 | 0 | 0 | 0 | 125.5 | A1402 | A1402-T1423 HydrophobicContact CB-CG2 4.2Š|
| 1424 | T | 32.3 | Very low | 31.3 | Very low | 119 Ų | 119 | 121.9 Ų | 121.9 | 73% | 0.73 | 72% | 0.719 | S | S | * | * | | | trans | 76.6 | 91.7 | 146.7 | 40.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1425 | V | 32.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 126.4 Ų | 126.4 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | | | | 31 | 117.2 | 113 | -179 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1426 | P | 31.5 | Very low | 31.3 | Very low | 125 Ų | 125 | 124.8 Ų | 124.8 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | | | | -135.4 | 155.7 | 106.2 | 38 | -29.3 | 0 | 0 | 0 | 115.4 | | |
| 1427 | T | 27.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | | | trans | -84.4 | 139.9 | 176.9 | 48.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1428 | R | 34.8 | Very low | 30.9 | Very low | 238 Ų | 238 | 123.2 Ų | 123.2 | 90% | 0.898 | 72% | 0.717 | S | S | * | * | | | trans | 56.7 | 134.7 | 146.9 | -68.9 | -179.9 | 173 | 179.9 | -2 | 117.8 | | |
| 1429 | P | 27.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | | -150.7 | 164.6 | 85.5 | 39.5 | -21.7 | 0 | 0 | 0 | 117.4 | | |
| 1430 | L | 26 | Very low | 30.8 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | | | trans | 37.7 | 112.2 | 136.5 | -58 | 173.4 | 0 | 0 | 0 | 118.7 | | |
| 1431 | Q | 28.6 | Very low | 30.3 | Very low | 168 Ų | 168 | 128.5 Ų | 128.5 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | | | | 78.4 | 168.4 | 85.8 | -83.4 | -175.4 | -5.5 | 0 | 0 | 114.3 | | |
| 1432 | P | 35.6 | Very low | 30.5 | Very low | 106 Ų | 106 | 126.3 Ų | 126.3 | 69% | 0.688 | 71% | 0.706 | S | S | * | * | | | cis | -126.4 | -150.4 | -16.1 | 22.4 | 3.4 | 0 | 0 | 0 | 111.2 | | |
| 1433 | V | 29.1 | Very low | 30.2 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | 73.8 | 95.3 | 159.1 | -177.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1434 | T | 27.7 | Very low | 30.3 | Very low | 98 Ų | 98 | 136 Ų | 136 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | | 46.8 | 129.9 | 71.5 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1435 | Y | 31 | Very low | 30.3 | Very low | 222 Ų | 222 | 133.6 Ų | 133.6 | 87% | 0.871 | 73% | 0.729 | S | S | * | * | | | cis | -145.5 | 162.6 | 37.6 | -58 | -98.8 | 0 | 0 | 0 | 109 | | |
| 1436 | G | 31.1 | Very low | 30.2 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | | | cis | 167 | -162.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1437 | L | 31 | Very low | 30.1 | Very low | 152 Ų | 152 | 140.9 Ų | 140.9 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | | | trans | 66.3 | 106 | 167.6 | -50.8 | 173.7 | 0 | 0 | 0 | 114.2 | | |
| 1438 | D | 28.8 | Very low | 30.1 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | | | | 98.1 | 132.5 | 76.9 | -81.4 | 3.7 | 0 | 0 | 0 | 110 | | |
| 1439 | Y | 30.3 | Very low | 30 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 80% | 0.796 | 73% | 0.729 | S | S | * | * | | | cis | -136 | 160.2 | 2.2 | -104.8 | -77.9 | 0 | 0 | 0 | 112.2 | | |
| 1440 | A | 32 | Very low | 30.2 | Very low | 73 Ų | 73 | 137.9 Ų | 137.9 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | | | trans | 33.9 | 109.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | P1442 | A1440-P1442 WeakPolarHBondContact O-CD 2.96Š|
| 1441 | S | 24.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | | -70.1 | 118.1 | 126.7 | 44.5 | 0 | 0 | 0 | 0 | 107.3 | K1443 | S1441-K1443 PolarHBondContact O-N 3.29Š|
| 1442 | P | 35.5 | Very low | 30.7 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | | | trans | -72.2 | 97.7 | -178.6 | 27.7 | -33.3 | 0 | 0 | 0 | 109.8 | A1440 I1444 | A1440-P1442 WeakPolarHBondContact O-CD 2.96Å; P1442-I1444 HydrophobicContact CB-CG1 4.32Å; P1442-I1444 PolarHBondContact O-N 2.96Å |
| 1443 | K | 26.5 | Very low | 30.6 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | -65 | 71.6 | 153.7 | -79.4 | -174.6 | 175.9 | 176.9 | 0 | 109.3 | S1441 S1445 | S1441-K1443 PolarHBondContact O-N 3.29Å; K1443-S1445 PolarHBondContact O-N 3.43Å |
| 1444 | I | 30.8 | Very low | 30.8 | Very low | 145 Ų | 145 | 146.6 Ų | 146.6 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | | | trans | -77.7 | 80.5 | 155.5 | -62.3 | 176.4 | 0 | 0 | 0 | 106.3 | P1442 | P1442-I1444 HydrophobicContact CB-CG1 4.32Å; P1442-I1444 PolarHBondContact O-N 2.96Å |
| 1445 | S | 33.2 | Very low | 31.1 | Very low | 69 Ų | 69 | 149.3 Ų | 149.3 | 48% | 0.483 | 75% | 0.751 | S | S | . | * | | | | 18.9 | 112.7 | 129.8 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | K1443 | K1443-S1445 PolarHBondContact O-N 3.43Š|
| 1446 | L | 30.3 | Very low | 31.2 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | S | Bend | | -48.5 | 142.3 | 128.6 | -77 | 77.7 | 0 | 0 | 0 | 106.9 | | |
| 1447 | W | 30.2 | Very low | 31.4 | Very low | 250 Ų | 250 | 150.8 Ų | 150.8 | 95% | 0.947 | 75% | 0.751 | S | S | * | * | | | trans | 79.9 | 79 | -165.2 | -51.9 | 89.9 | 0 | 0 | 0 | 114 | | |
| 1448 | G | 26.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 152.1 Ų | 152.1 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | trans | -171.5 | 90.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1449 | L | 34.3 | Very low | 32.1 | Very low | 154 Ų | 154 | 153.8 Ų | 153.8 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | 46.5 | 107.6 | 166.5 | -55.8 | 171.2 | 0 | 0 | 0 | 116.1 | E1451 | L1449-E1451 VanDerWaalsContact C-N 3.34Š|
| 1450 | H | 30.4 | Very low | 32.3 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | | | cis | 63.2 | 19.3 | 26.6 | -123.3 | -68.7 | 0 | 0 | 0 | 116.9 | | |
| 1451 | E | 34.8 | Very low | 32.6 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 62% | 0.621 | 76% | 0.764 | S | S | * | * | | | trans | -99.8 | 115 | 154.3 | -76.2 | -138 | 146.5 | 0 | 0 | 111.3 | L1449 K1453 | L1449-E1451 VanDerWaalsContact C-N 3.34Å; E1451-K1453 PolarHBondContact O-N 2.98Å; E1451-K1453 WeakPolarHBondContact OE2-CE 2.89Å; E1451-K1453 IonicContact OE2-NZ 2.8Å; E1451-K1453 PolarHBondContact OE2-NZ 3.02Å; E1451-K1453 VanDerWaalsContact OE2-NZ 3.12Å |
| 1452 | K | 30.4 | Very low | 33.1 | Very low | 179 Ų | 179 | 156.4 Ų | 156.4 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | trans | -82.1 | 97.7 | 168.1 | -72.4 | 178.2 | 178.3 | 175.3 | 0 | 109.7 | | |
| 1453 | K | 34.6 | Very low | 33.1 | Very low | 167 Ų | 167 | 161 Ų | 161 | 73% | 0.726 | 78% | 0.78 | S | S | * | * | | | trans | -99.6 | 105.7 | 159.4 | -72.7 | 178.8 | -176.7 | 159.8 | 0 | 108.9 | E1451 I1455 | E1451-K1453 PolarHBondContact O-N 2.98Å; E1451-K1453 WeakPolarHBondContact OE2-CE 2.89Å; E1451-K1453 IonicContact OE2-NZ 2.8Å; E1451-K1453 PolarHBondContact OE2-NZ 3.02Å; E1451-K1453 VanDerWaalsContact OE2-NZ 3.12Å; K1453-I1455 PolarHBondContact O-N 3.28Å |
| 1454 | W | 32.3 | Very low | 33.3 | Very low | 229 Ų | 229 | 155.7 Ų | 155.7 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.8 | 170.9 | -76.6 | 42.7 | 0 | 0 | 0 | 108.2 | | |
| 1455 | I | 34.5 | Very low | 33.2 | Very low | 155 Ų | 155 | 152.6 Ų | 152.6 | 80% | 0.795 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 129.3 | 164.9 | -62.7 | 178.9 | 0 | 0 | 0 | 107.1 | K1453 | K1453-I1455 PolarHBondContact O-N 3.28Š|
| 1456 | D | 33.8 | Very low | 33 | Very low | 127 Ų | 127 | 157.1 Ų | 157.1 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 130.1 | -167.2 | -152.3 | -23.5 | 0 | 0 | 0 | 111.8 | K1458 | D1456-K1458 PolarHBondContact O-N 3.22Š|
| 1457 | F | 35.4 | Very low | 32.9 | Very low | 185 Ų | 185 | 158.7 Ų | 158.7 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 10.5 | -166.5 | -100 | -87.7 | 0 | 0 | 0 | 115.1 | | |
| 1458 | K | 38.3 | Very low | 32.8 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -23.1 | -174.3 | -76.7 | -178.4 | 174.6 | 174 | 0 | 115.8 | D1456 | D1456-K1458 PolarHBondContact O-N 3.22Š|
| 1459 | N | 35.6 | Very low | 32.8 | Very low | 148 Ų | 148 | 158 Ų | 158 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -106.8 | -18.8 | -174.5 | -72.3 | -5.4 | 0 | 0 | 0 | 114.9 | L1461 | N1459-L1461 VanDerWaalsContact C-N 3.26Å; N1459-L1461 PolarHBondContact O-N 3.02Å; N1459-L1461 VanDerWaalsContact O-N 3.08Å |
| 1460 | G | 34.5 | Very low | 32.5 | Very low | 74 Ų | 74 | 155.2 Ų | 155.2 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 7.8 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1461 | L | 38.2 | Very low | 32.4 | Very low | 141 Ų | 141 | 152.5 Ų | 152.5 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 5.8 | -170.7 | -90 | 169.1 | 0 | 0 | 0 | 115.7 | N1459 | N1459-L1461 VanDerWaalsContact C-N 3.26Å; N1459-L1461 PolarHBondContact O-N 3.02Å; N1459-L1461 VanDerWaalsContact O-N 3.08Å |
| 1462 | R | 35.5 | Very low | 32.3 | Very low | 231 Ų | 231 | 152.5 Ų | 152.5 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -92.5 | -24.4 | -178 | -86 | -170 | 172.5 | -173.8 | 0.6 | 116.3 | | |
| 1463 | E | 35.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 149.1 Ų | 149.1 | 93% | 0.93 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -17.6 | -174.3 | -60.8 | -170.5 | 140.4 | 0 | 0 | 113.7 | A1465 | E1463-A1465 PolarHBondContact O-N 3.4Š|
| 1464 | A | 31.3 | Very low | 32.7 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 3.3 | -173 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1465 | A | 28.8 | Very low | 32.9 | Very low | 80 Ų | 80 | 141.3 Ų | 141.3 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -144.2 | 38.2 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | E1463 | E1463-A1465 PolarHBondContact O-N 3.4Š|
| 1466 | L | 28.9 | Very low | 32.7 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -150.8 | 36.8 | 176.5 | -124.8 | 177.6 | 0 | 0 | 0 | 118.2 | | |
| 1467 | Q | 28 | Very low | 32.8 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | | | trans | -148.3 | 48.8 | 172.8 | -137.5 | 174.1 | 43.3 | 0 | 0 | 118.1 | | |
| 1468 | T | 26.5 | Very low | 32.5 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -144 | 146.3 | 165.7 | 63.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1469 | F | 27.7 | Very low | 32.3 | Very low | 186 Ų | 186 | 142 Ų | 142 | 82% | 0.816 | 79% | 0.79 | S | S | * | * | | | cis | -142.2 | 165.6 | -0.8 | -78 | -70.9 | 0 | 0 | 0 | 111.2 | | |
| 1470 | A | 27.9 | Very low | 32.1 | Very low | 94 Ų | 94 | 141 Ų | 141 | 78% | 0.777 | 79% | 0.789 | S | S | * | * | | | trans | 132.1 | 94 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1471 | V | 27 | Very low | 32 | Very low | 130 Ų | 130 | 142.8 Ų | 142.8 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | | | cis | 73.6 | 63.7 | 32.4 | -163.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1472 | T | 34.5 | Very low | 32 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | trans | -155.2 | 124.3 | 149.5 | 51.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 1473 | S | 29.9 | Very low | 31.9 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -162.1 | 161.3 | -17.9 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1474 | P | 42.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -70.1 | -176.8 | -178.6 | -15.1 | 32.5 | 0 | 0 | 0 | 112.9 | | |
| 1475 | P | 36.3 | Very low | 32.1 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | | | cis | -152.6 | 110.3 | 32.4 | 37.3 | -12.2 | 0 | 0 | 0 | 117.3 | | |
| 1476 | W | 31.8 | Very low | 32.5 | Very low | 255 Ų | 255 | 145.9 Ų | 145.9 | 97% | 0.966 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116.8 | 101.3 | 176.4 | -72.4 | 39.7 | 0 | 0 | 0 | 111 | | |
| 1477 | K | 35.9 | Very low | 33 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | 41.2 | 96.3 | 169.9 | -71.6 | -176.4 | 163.8 | -159.5 | 0 | 117.5 | E1479 | K1477-E1479 HydrophobicContact CB-CG 4.48Å; K1477-E1479 HydrophobicContact CD-CG 4.15Å; K1477-E1479 IonicContact NZ-OE1 3.08Å; K1477-E1479 PolarHBondContact NZ-OE1 2.82Å |
| 1478 | A | 28.4 | Very low | 33.3 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | | -64.8 | 123.5 | 121.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | V1480 | A1478-V1480 VanDerWaalsContact C-N 3.29Å; A1478-V1480 HydrophobicContact CB-CG2 4.44Å; A1478-V1480 PolarHBondContact O-N 2.92Å; A1478-V1480 VanDerWaalsContact O-N 3.1Å |
| 1479 | E | 33.9 | Very low | 33.6 | Very low | 152 Ų | 152 | 145.9 Ų | 145.9 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | trans | -80 | 83.4 | 162.9 | -84.2 | -172.3 | 164.2 | 0 | 0 | 109.9 | K1477 D1481 | K1477-E1479 HydrophobicContact CB-CG 4.48Å; K1477-E1479 HydrophobicContact CD-CG 4.15Å; K1477-E1479 IonicContact NZ-OE1 3.08Å; K1477-E1479 PolarHBondContact NZ-OE1 2.82Å; E1479-D1481 PolarHBondContact O-N 3.15Å |
| 1480 | V | 31.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 144.4 Ų | 144.4 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | | | trans | -77.2 | 94.1 | 157.7 | 177.7 | 0 | 0 | 0 | 0 | 107.5 | A1478 | A1478-V1480 VanDerWaalsContact C-N 3.29Å; A1478-V1480 HydrophobicContact CB-CG2 4.44Å; A1478-V1480 PolarHBondContact O-N 2.92Å; A1478-V1480 VanDerWaalsContact O-N 3.1Å |
| 1481 | D | 32.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 60% | 0.599 | 77% | 0.771 | S | S | * | * | | | trans | -129.9 | 81.2 | 167 | -127.6 | 60.3 | 0 | 0 | 0 | 113.5 | E1479 | E1479-D1481 PolarHBondContact O-N 3.15Š|
| 1482 | K | 37.7 | Very low | 34.2 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 65% | 0.648 | 77% | 0.77 | S | S | * | * | | | trans | 62.7 | 123.7 | 140.5 | -56.3 | 155.7 | -158.2 | 143 | 0 | 115.8 | | |
| 1483 | K | 32.9 | Very low | 34.1 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 90% | 0.9 | 77% | 0.766 | S | S | * | * | | | | -129.4 | 116.3 | 59.8 | -70.8 | 168.8 | -173.5 | 165.4 | 0 | 114.4 | | |
| 1484 | K | 36.9 | Very low | 34.1 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 70% | 0.7 | 77% | 0.774 | S | S | * | * | | | trans | 7.2 | 124.9 | 145.6 | -57.6 | -178.9 | 175.1 | -168.6 | 0 | 118.3 | | |
| 1485 | V | 34.7 | Very low | 33.5 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | | | | -132.4 | 126.3 | 105.5 | 178.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 1486 | E | 37.4 | Very low | 33.3 | Very low | 145 Ų | 145 | 145 Ų | 145 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | trans | -105.5 | 132.5 | 166.3 | -62.6 | 164 | 102.5 | 0 | 0 | 107.8 | | |
| 1487 | N | 39.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | | | | -177.2 | 166.3 | 117.3 | -100 | -63.9 | 0 | 0 | 0 | 113.3 | | |
| 1488 | K | 35 | Very low | 33.5 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | | | trans | -91.6 | 154.6 | -169.6 | -54.9 | 164.2 | -175.7 | 172.7 | 0 | 111.5 | | |
| 1489 | V | 33.5 | Very low | 33.8 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | | | | 180 | 129.9 | 111.2 | 149.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1490 | N | 33.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | | | trans | 49.4 | 121.2 | 163.8 | -59 | -1.8 | 0 | 0 | 0 | 120.8 | | |
| 1491 | A | 27.6 | Very low | 34.6 | Very low | 92 Ų | 92 | 136.5 Ų | 136.5 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | | | trans | -90.4 | 176.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1492 | P | 33.8 | Very low | 35.5 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | | | | -135.2 | 163.9 | 81 | 38.9 | -27.8 | 0 | 0 | 0 | 116.2 | | |
| 1493 | S | 31.2 | Very low | 35.9 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | 47.5 | 87.2 | 157.3 | 58.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1494 | T | 30.9 | Very low | 36.6 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 92% | 0.92 | 71% | 0.713 | S | S | * | * | | | trans | -90.6 | 116.2 | 148 | 38.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1495 | S | 29.9 | Very low | 37 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 71% | 0.706 | 70% | 0.7 | S | S | * | * | | | trans | -156.9 | 61 | 174.9 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1496 | D | 31.8 | Very low | 38.3 | Very low | 144 Ų | 144 | 119.2 Ų | 119.2 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | | | trans | -159.2 | 67.7 | 156.3 | -103.4 | -28 | 0 | 0 | 0 | 112.2 | | |
| 1497 | L | 36.7 | Very low | 39.1 | Very low | 179 Ų | 179 | 118.8 Ų | 118.8 | 94% | 0.937 | 68% | 0.679 | S | S | * | * | | | trans | -125.9 | 84.7 | 157.8 | -84.7 | 173.6 | 0 | 0 | 0 | 108.2 | S1499 | L1497-S1499 PolarHBondContact O-N 3.18Å; L1497-S1499 VanDerWaalsContact O-N 3.15Å |
| 1498 | I | 35.1 | Very low | 40.2 | Very low | 87 Ų | 87 | 117 Ų | 117 | 45% | 0.446 | 67% | 0.668 | S | S | . | * | | | trans | -71.4 | 105.7 | 178.4 | -63.9 | 177.5 | 0 | 0 | 0 | 108.5 | N1502 L1503 | I1498-N1502 HydrophobicContact CG2-CB 4.19Å; I1498-L1503 HydrophobicContact CG2-CD1 4.29Å; I1498-L1503 HydrophobicContact CG2-CG 4.08Å |
| 1499 | S | 35.2 | Very low | 41.7 | Very low | 63 Ų | 63 | 114.4 Ų | 114.4 | 44% | 0.441 | 66% | 0.659 | S | S | . | * | | | trans | -51.9 | 136.1 | 165 | 168.5 | 0 | 0 | 0 | 0 | 109.8 | L1497 F1501 N1502 | L1497-S1499 PolarHBondContact O-N 3.18Å; L1497-S1499 VanDerWaalsContact O-N 3.15Å; S1499-F1501 PolarHBondContact O-N 2.99Å; S1499-N1502 VanDerWaalsContact O-CB 3.26Å; S1499-N1502 WeakPolarHBondContact O-CB 3.23Å; S1499-N1502 PolarHBondContact O-N 3.23Å |
| 1500 | P | 38.9 | Very low | 42.9 | Very low | 103 Ų | 103 | 111.3 Ų | 111.3 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.3 | -27.8 | -173.9 | 20.7 | -32.4 | 0 | 0 | 0 | 113.6 | N1502 L1503 | P1500-N1502 VanDerWaalsContact C-N 3.26Å; P1500-N1502 PolarHBondContact O-N 3.44Å; P1500-L1503 PolarHBondContact O-N 3.25Å |
| 1501 | F | 41.9 | Very low | 44.4 | Very low | 178 Ų | 178 | 110.8 Ų | 110.8 | 78% | 0.781 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68 | -22.4 | 174.9 | -69.8 | -84.1 | 0 | 0 | 0 | 114 | S1499 | S1499-F1501 PolarHBondContact O-N 2.99Å |
| 1502 | N | 51 | Low | 46.1 | Very low | 86 Ų | 86 | 110.5 Ų | 110.5 | 46% | 0.46 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -81.3 | -20.9 | -178.9 | -148.7 | -14.5 | 0 | 0 | 0 | 112.1 | I1498 S1499 P1500 K1506 | I1498-N1502 HydrophobicContact CG2-CB 4.19Å; S1499-N1502 VanDerWaalsContact O-CB 3.26Å; S1499-N1502 WeakPolarHBondContact O-CB 3.23Å; S1499-N1502 PolarHBondContact O-N 3.23Å; P1500-N1502 VanDerWaalsContact C-N 3.26Å; P1500-N1502 PolarHBondContact O-N 3.44Å; N1502-K1506 WeakPolarHBondContact O-CB 3.16Å; N1502-K1506 WeakPolarHBondContact O-CG 2.9Å; N1502-K1506 PolarHBondContact O-N 2.9Å; N1502-K1506 VanDerWaalsContact O-N 3.17Å |
| 1503 | L | 47.2 | Very low | 47.3 | Very low | 98 Ų | 98 | 107.2 Ų | 107.2 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.5 | -46.2 | 175.5 | -112.6 | 164.1 | 0 | 0 | 0 | 111.8 | I1498 P1500 G1505 K1506 F1507 | I1498-L1503 HydrophobicContact CG2-CD1 4.29Å; I1498-L1503 HydrophobicContact CG2-CG 4.08Å; P1500-L1503 PolarHBondContact O-N 3.25Å; L1503-G1505 PolarHBondContact O-N 2.83Å; L1503-K1506 PolarHBondContact O-N 2.57Å; L1503-F1507 PolarHBondContact O-N 3.01Å |
| 1504 | A | 47.8 | Very low | 48.2 | Very low | 69 Ų | 69 | 104 Ų | 104 | 57% | 0.57 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.8 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1507 L1508 | A1504-F1507 PolarHBondContact O-N 2.7Å; A1504-L1508 PolarHBondContact O-N 2.92Å |
| 1505 | G | 45.1 | Very low | 49.6 | Very low | 41 Ų | 41 | 104.2 Ų | 104.2 | 42% | 0.423 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59 | -47.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1503 L1508 Q1509 | L1503-G1505 PolarHBondContact O-N 2.83Å; G1505-L1508 PolarHBondContact O-N 3.32Å; G1505-Q1509 WeakPolarHBondContact O-CB 2.92Å; G1505-Q1509 PolarHBondContact O-N 3.49Å |
| 1506 | K | 62.1 | Low | 50.7 | Low | 120 Ų | 120 | 107.5 Ų | 107.5 | 52% | 0.522 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -36.3 | 176.9 | -75.6 | -175.7 | 177.1 | -173.9 | 0 | 113.2 | N1502 L1503 Q1509 A1510 | N1502-K1506 WeakPolarHBondContact O-CB 3.16Å; N1502-K1506 WeakPolarHBondContact O-CG 2.9Å; N1502-K1506 PolarHBondContact O-N 2.9Å; N1502-K1506 VanDerWaalsContact O-N 3.17Å; L1503-K1506 PolarHBondContact O-N 2.57Å; K1506-Q1509 PolarHBondContact O-N 3.19Å; K1506-A1510 VanDerWaalsContact O-CB 3.31Å; K1506-A1510 WeakPolarHBondContact O-CB 3.36Å; K1506-A1510 PolarHBondContact O-N 2.69Å |
| 1507 | F | 54.8 | Low | 51.9 | Low | 135 Ų | 135 | 106.2 Ų | 106.2 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 175.7 | -125.3 | -77 | 0 | 0 | 0 | 112.2 | L1503 A1504 K1511 | L1503-F1507 PolarHBondContact O-N 3.01Å; A1504-F1507 PolarHBondContact O-N 2.7Å; F1507-K1511 PolarHBondContact O-N 3.34Å |
| 1508 | L | 60.6 | Low | 51.9 | Low | 119 Ų | 119 | 101 Ų | 101 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -43.6 | 174.6 | -152.6 | 101.5 | 0 | 0 | 0 | 111.1 | A1504 G1505 A1510 K1511 L1512 | A1504-L1508 PolarHBondContact O-N 2.92Å; G1505-L1508 PolarHBondContact O-N 3.32Å; L1508-A1510 PolarHBondContact O-N 2.76Å; L1508-K1511 PolarHBondContact O-N 3.09Å; L1508-L1512 HydrophobicContact CD2-CD1 4.02Å; L1508-L1512 HydrophobicContact CG-CD1 4.42Å; L1508-L1512 WeakPolarHBondContact O-CB 3.46Å; L1508-L1512 WeakPolarHBondContact O-CG 3.36Å; L1508-L1512 PolarHBondContact O-N 2.87Å |
| 1509 | Q | 66.7 | Low | 52.4 | Low | 136 Ų | 136 | 103.3 Ų | 103.3 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -40.2 | 176.9 | -169.4 | 175.4 | 13.4 | 0 | 0 | 112.2 | G1505 K1506 L1512 A1513 | G1505-Q1509 WeakPolarHBondContact O-CB 2.92Å; G1505-Q1509 PolarHBondContact O-N 3.49Å; K1506-Q1509 PolarHBondContact O-N 3.19Å; Q1509-L1512 PolarHBondContact O-N 2.83Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.25Å; Q1509-A1513 PolarHBondContact O-N 3.48Å |
| 1510 | A | 58.4 | Low | 52.8 | Low | 60 Ų | 60 | 105.7 Ų | 105.7 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.4 | -43.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1506 L1508 A1513 S1514 | K1506-A1510 VanDerWaalsContact O-CB 3.31Å; K1506-A1510 WeakPolarHBondContact O-CB 3.36Å; K1506-A1510 PolarHBondContact O-N 2.69Å; L1508-A1510 PolarHBondContact O-N 2.76Å; A1510-A1513 PolarHBondContact O-N 2.82Å; A1510-S1514 PolarHBondContact O-N 3.49Å; A1510-S1514 PolarHBondContact O-OG 2.85Å |
| 1511 | K | 65.8 | Low | 52.7 | Low | 143 Ų | 143 | 106.9 Ų | 106.9 | 62% | 0.622 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66 | -36.3 | 174.9 | -77.7 | -169.6 | 173 | -171.7 | 0 | 112.9 | F1507 L1508 S1514 F1515 | F1507-K1511 PolarHBondContact O-N 3.34Å; L1508-K1511 PolarHBondContact O-N 3.09Å; K1511-S1514 PolarHBondContact O-OG 2.88Å; K1511-F1515 PolarHBondContact O-N 2.62Å |
| 1512 | L | 62.8 | Low | 52.6 | Low | 87 Ų | 87 | 104.7 Ų | 104.7 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.7 | -40.3 | 174.3 | -71.8 | 170.3 | 0 | 0 | 0 | 111.4 | L1508 Q1509 S1514 F1515 F1516 | L1508-L1512 HydrophobicContact CD2-CD1 4.02Å; L1508-L1512 HydrophobicContact CG-CD1 4.42Å; L1508-L1512 WeakPolarHBondContact O-CB 3.46Å; L1508-L1512 WeakPolarHBondContact O-CG 3.36Å; L1508-L1512 PolarHBondContact O-N 2.87Å; Q1509-L1512 PolarHBondContact O-N 2.83Å; L1512-S1514 PolarHBondContact O-N 3.33Å; L1512-F1515 WeakPolarHBondContact O-CB 3.03Å; L1512-F1515 PolarHBondContact O-N 2.73Å; L1512-F1516 WeakPolarHBondContact O-CD2 3.02Å; L1512-F1516 PolarHBondContact O-N 2.88Å |
| 1513 | A | 60.7 | Low | 51.9 | Low | 49 Ų | 49 | 104.9 Ų | 104.9 | 41% | 0.405 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.7 | -46 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q1509 A1510 F1515 F1516 E1517 | Q1509-A1513 WeakPolarHBondContact O-CB 3.25Å; Q1509-A1513 PolarHBondContact O-N 3.48Å; A1510-A1513 PolarHBondContact O-N 2.82Å; A1513-F1515 PolarHBondContact O-N 2.63Å; A1513-F1516 PolarHBondContact O-N 2.68Å; A1513-E1517 PolarHBondContact O-N 3.48Å |
| 1514 | S | 50.1 | Low | 51.1 | Low | 35 Ų | 35 | 107 Ų | 107 | 25% | 0.245 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -63.6 | -30.1 | 176.2 | 65 | 0 | 0 | 0 | 0 | 113.2 | A1510 K1511 L1512 | A1510-S1514 PolarHBondContact O-N 3.49Å; A1510-S1514 PolarHBondContact O-OG 2.85Å; K1511-S1514 PolarHBondContact O-OG 2.88Å; L1512-S1514 PolarHBondContact O-N 3.33Å |
| 1515 | F | 58.9 | Low | 50.7 | Low | 155 Ų | 155 | 112.1 Ų | 112.1 | 68% | 0.68 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.1 | -33.7 | 175.3 | -152.3 | -91 | 0 | 0 | 0 | 113 | K1511 L1512 A1513 | K1511-F1515 PolarHBondContact O-N 2.62Å; L1512-F1515 WeakPolarHBondContact O-CB 3.03Å; L1512-F1515 PolarHBondContact O-N 2.73Å; A1513-F1515 PolarHBondContact O-N 2.63Å |
| 1516 | F | 53.1 | Low | 50.1 | Low | 170 Ų | 170 | 119.4 Ų | 119.4 | 75% | 0.746 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -85.7 | -17.9 | 177.5 | -72.2 | -63.1 | 0 | 0 | 0 | 114.4 | L1512 A1513 G1518 | L1512-F1516 WeakPolarHBondContact O-CD2 3.02Å; L1512-F1516 PolarHBondContact O-N 2.88Å; A1513-F1516 PolarHBondContact O-N 2.68Å; F1516-G1518 PolarHBondContact O-N 2.94Å |
| 1517 | E | 56.4 | Low | 48.9 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 55% | 0.547 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.7 | -2.7 | 172.7 | -77.4 | -169.5 | -175.5 | 0 | 0 | 114.3 | A1513 K1519 | A1513-E1517 PolarHBondContact O-N 3.48Å; E1517-K1519 HydrophobicContact CB-CD 4.33Å; E1517-K1519 PolarHBondContact O-N 3.29Å; E1517-K1519 VanDerWaalsContact O-N 3.15Å; E1517-K1519 WeakPolarHBondContact OE2-CE 3.33Å; E1517-K1519 IonicContact OE2-NZ 2.99Å; E1517-K1519 PolarHBondContact OE2-NZ 2.71Å |
| 1518 | G | 36.7 | Very low | 47.7 | Very low | 69 Ų | 69 | 121.1 Ų | 121.1 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.3 | 12.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | F1516 | F1516-G1518 PolarHBondContact O-N 2.94Š|
| 1519 | K | 45.6 | Very low | 46.5 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 59% | 0.591 | 67% | 0.666 | S | S | * | * | | | trans | -84 | 127.9 | 178.2 | -67.3 | 165.3 | -175.6 | 167.2 | 0 | 109.5 | E1517 L1521 | E1517-K1519 HydrophobicContact CB-CD 4.33Å; E1517-K1519 PolarHBondContact O-N 3.29Å; E1517-K1519 VanDerWaalsContact O-N 3.15Å; E1517-K1519 WeakPolarHBondContact OE2-CE 3.33Å; E1517-K1519 IonicContact OE2-NZ 2.99Å; E1517-K1519 PolarHBondContact OE2-NZ 2.71Å; K1519-L1521 PolarHBondContact O-N 3.34Å |
| 1520 | P | 43.6 | Very low | 45 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | | | trans | -65.5 | 121.6 | -179.6 | 25.8 | -33 | 0 | 0 | 0 | 110.7 | L1522 | P1520-L1522 PolarHBondContact O-N 3.41Š|
| 1521 | L | 36.6 | Very low | 44 | Very low | 128 Ų | 128 | 130 Ų | 130 | 67% | 0.67 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -79.1 | 59.2 | 174.3 | -75.6 | 168.1 | 0 | 0 | 0 | 111.2 | K1519 | K1519-L1521 PolarHBondContact O-N 3.34Š|
| 1522 | L | 40.8 | Very low | 42.3 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | | | trans | 179.7 | 108.3 | 157.6 | -99.4 | 158.8 | 0 | 0 | 0 | 107.8 | P1520 D1524 | P1520-L1522 PolarHBondContact O-N 3.41Å; L1522-D1524 VanDerWaalsContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD2 3.08Å |
| 1523 | A | 35.7 | Very low | 40.9 | Very low | 90 Ų | 90 | 133 Ų | 133 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | | | trans | -118.5 | 91.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | E1525 | A1523-E1525 PolarHBondContact O-N 2.8Š|
| 1524 | D | 31.5 | Very low | 39.7 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | trans | -75.5 | 81.7 | 171 | -68.3 | -40.4 | 0 | 0 | 0 | 108.4 | L1522 | L1522-D1524 VanDerWaalsContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD1 3.28Å; L1522-D1524 WeakPolarHBondContact CD2-OD2 3.08Å |
| 1525 | E | 39.1 | Very low | 39 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | trans | -106.5 | 102.8 | 161.1 | -80.8 | -164.8 | 134.5 | 0 | 0 | 109.6 | A1523 T1527 | A1523-E1525 PolarHBondContact O-N 2.8Å; E1525-T1527 PolarHBondContact O-N 2.73Å |
| 1526 | E | 31.3 | Very low | 37.6 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | | | trans | -64.3 | 113.9 | 162.8 | -64.3 | 177.2 | 115.8 | 0 | 0 | 109.4 | | |
| 1527 | T | 38.5 | Very low | 36.6 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | | | trans | -152.1 | 85.9 | 157.4 | 23.9 | 0 | 0 | 0 | 0 | 111.6 | E1525 R1529 | E1525-T1527 PolarHBondContact O-N 2.73Å; T1527-R1529 PolarHBondContact O-N 2.76Å |
| 1528 | D | 28.9 | Very low | 35.3 | Very low | 172 Ų | 172 | 144 Ų | 144 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | | | trans | 11.4 | 64.8 | 155.1 | -65.9 | -43.7 | 0 | 0 | 0 | 118.8 | | |
| 1529 | R | 35.4 | Very low | 35.3 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -135.9 | 89.8 | 163.4 | -72.7 | -164.2 | 171.1 | 172.7 | 0 | 111.7 | T1527 P1531 | T1527-R1529 PolarHBondContact O-N 2.76Å; R1529-P1531 WeakPolarHBondContact O-CD 3.18Å |
| 1530 | I | 34.6 | Very low | 34.8 | Very low | 151 Ų | 151 | 144.6 Ų | 144.6 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | | | trans | -53.5 | 120.9 | 160.2 | -60.8 | 170.2 | 0 | 0 | 0 | 107.7 | E1532 | I1530-E1532 PolarHBondContact O-N 2.78Å; I1530-E1532 VanDerWaalsContact O-N 3.09Å |
| 1531 | P | 37.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -69.9 | 106.8 | 169.2 | 28.1 | -31.5 | 0 | 0 | 0 | 108.2 | R1529 | R1529-P1531 WeakPolarHBondContact O-CD 3.18Š|
| 1532 | E | 30.8 | Very low | 34.3 | Very low | 177 Ų | 177 | 145.9 Ų | 145.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -54.5 | 129.9 | -175.9 | -63.6 | -176.4 | 140.5 | 0 | 0 | 111.7 | I1530 K1534 | I1530-E1532 PolarHBondContact O-N 2.78Å; I1530-E1532 VanDerWaalsContact O-N 3.09Å; E1532-K1534 PolarHBondContact O-N 3Å |
| 1533 | P | 33.3 | Very low | 34.1 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | | | trans | -67.8 | 108.3 | 172.9 | 27.8 | -32.6 | 0 | 0 | 0 | 109.1 | | |
| 1534 | K | 35 | Very low | 34 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.3 | 179.8 | -77.1 | -174.6 | 175.2 | 179.3 | 0 | 110.3 | E1532 | E1532-K1534 PolarHBondContact O-N 3Š|
| 1535 | P | 36.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 151 Ų | 151 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 143.5 | -157.3 | 26.3 | -35.8 | 0 | 0 | 0 | 114.1 | L1537 | P1535-L1537 PolarHBondContact O-N 3.08Š|
| 1536 | T | 29.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 77% | 0.773 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 116.6 | 171 | -33.2 | 0 | 0 | 0 | 0 | 110.3 | R1538 | T1536-R1538 PolarHBondContact O-N 3.12Š|
| 1537 | L | 32.2 | Very low | 34 | Very low | 152 Ų | 152 | 147 Ų | 147 | 80% | 0.796 | 83% | 0.834 | S | S | * | * | | | trans | -67.2 | 106.5 | 176.3 | -87.9 | 164.1 | 0 | 0 | 0 | 112 | P1535 | P1535-L1537 PolarHBondContact O-N 3.08Š|
| 1538 | R | 29.9 | Very low | 33.7 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 60% | 0.6 | 84% | 0.841 | S | S | * | * | | | trans | -142.3 | 111.1 | 156.3 | -78.2 | -159.9 | -167.8 | -176.9 | 6.6 | 112.2 | D148 T1536 | D148-R1538 IonicContact OD1-CZ 3.11Å; D148-R1538 IonicContact OD1-NH1 2.78Å; D148-R1538 PolarHBondContact OD1-NH1 3.09Å; D148-R1538 IonicContact OD1-NH2 2.7Å; D148-R1538 PolarHBondContact OD1-NH2 2.76Å; D148-R1538 IonicContact OD2-CZ 3.07Å; D148-R1538 IonicContact OD2-NE 3.81Å; D148-R1538 IonicContact OD2-NH1 3.38Å; D148-R1538 PolarHBondContact OD2-NH1 2.85Å; D148-R1538 IonicContact OD2-NH2 2.64Å; D148-R1538 PolarHBondContact OD2-NH2 2.69Å; T1536-R1538 PolarHBondContact O-N 3.12Å |
| 1539 | T | 36.5 | Very low | 34 | Very low | 140 Ų | 140 | 147.2 Ų | 147.2 | 86% | 0.859 | 84% | 0.836 | S | S | * | * | | | trans | -154.8 | 137.6 | 161.6 | 48.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 1540 | G | 34.7 | Very low | 34 | Very low | 77 Ų | 77 | 141.4 Ų | 141.4 | 79% | 0.794 | 83% | 0.834 | S | S | * | * | | | cis | -168.1 | 161.1 | -6.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 1541 | T | 30 | Very low | 33.9 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 74% | 0.736 | 84% | 0.838 | S | S | * | * | | | trans | -85 | 149.1 | -168.7 | 31.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1542 | T | 40.1 | Very low | 33.6 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 91% | 0.908 | 84% | 0.843 | S | S | * | * | | | trans | -148.1 | 77 | 156 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1543 | A | 35.6 | Very low | 33.9 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 100% | 1.413 | 85% | 0.845 | S | S | * | * | | | trans | -163.4 | 0 | 157.8 | 0 | 0 | 0 | 0 | 0 | 108 | | |